smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)Nc2ccccc2N2CCCCC2)cccc1[N+](=O)[O-] ZINC000002826856 1045259198 /nfs/dbraw/zinc/25/91/98/1045259198.db2.gz PDSGUHNAKGQPCN-UHFFFAOYSA-N 0 0 339.395 4.146 50 5 EIBARN CCc1sc(-c2nnc(COc3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000008938492 201765247 /nfs/dbraw/zinc/76/52/47/201765247.db2.gz QUOFGAXOBJJSBI-UHFFFAOYSA-N 0 0 345.380 4.156 50 5 EIBARN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2S1 ZINC000012882968 201873003 /nfs/dbraw/zinc/87/30/03/201873003.db2.gz ZQDNWAAAFXLLMQ-GFCCVEGCSA-N 0 0 328.393 4.126 50 5 EIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012948385 201877975 /nfs/dbraw/zinc/87/79/75/201877975.db2.gz JNWMDWSOTNQQRT-UHFFFAOYSA-N 0 0 347.374 4.006 50 5 EIBARN COc1ccccc1CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000013114066 201885292 /nfs/dbraw/zinc/88/52/92/201885292.db2.gz BQCGRTJRCPRTMQ-UHFFFAOYSA-N 0 0 341.392 4.286 50 5 aggregator EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1ccc2ccccc2c1 ZINC000001753377 209789464 /nfs/dbraw/zinc/78/94/64/209789464.db2.gz OOFNCMIHBWXOBH-UHFFFAOYSA-N 0 0 326.283 4.498 50 5 EIBARN O=[N+]([O-])c1cccnc1Sc1ncc(-c2ccccc2)n1C1CC1 ZINC000022420796 202085499 /nfs/dbraw/zinc/08/54/99/202085499.db2.gz PQSRQBKQDPEFOG-UHFFFAOYSA-N 0 0 338.392 4.339 50 5 EIBARN O=[N+]([O-])c1ccc(NCCCOC2CCCCC2)c2ncccc12 ZINC000024059528 202112563 /nfs/dbraw/zinc/11/25/63/202112563.db2.gz MCHRCIQHMLQUDZ-UHFFFAOYSA-N 0 0 329.400 4.294 50 5 EIBARN Cc1ccc(OCc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000024732995 202120146 /nfs/dbraw/zinc/12/01/46/202120146.db2.gz FPUJGBBRGOAXAO-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000025512869 202132667 /nfs/dbraw/zinc/13/26/67/202132667.db2.gz GLFFFSSBMTUTOE-HNNXBMFYSA-N 0 0 348.786 4.138 50 5 EIBARN CC(C)c1ccc2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000040070204 202167259 /nfs/dbraw/zinc/16/72/59/202167259.db2.gz GYKMBSOAIKJGIP-UHFFFAOYSA-N 0 0 349.390 4.402 50 5 EIBARN Cc1c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000032754292 202232268 /nfs/dbraw/zinc/23/22/68/202232268.db2.gz ODEZPFIDRBRKNA-ZDUSSCGKSA-N 0 0 338.363 4.483 50 5 EIBARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000035671915 202308366 /nfs/dbraw/zinc/30/83/66/202308366.db2.gz SYYQFCLOHAHJAZ-UHFFFAOYSA-N 0 0 337.335 4.119 50 5 EIBARN O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2ccccc2)c1 ZINC000036347299 202321869 /nfs/dbraw/zinc/32/18/69/202321869.db2.gz KMZSEZLRCSKILH-OAQYLSRUSA-N 0 0 347.418 4.392 50 5 EIBARN Cc1c2oc3c(nc4c(cnn4C)c3-c3ccc(O)cc3)c2ccc1O ZINC000253400762 201186721 /nfs/dbraw/zinc/18/67/21/201186721.db2.gz FDUSWZTUCQRSEP-UHFFFAOYSA-N 0 0 345.358 4.254 50 5 EIBARN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3csc([N+](=O)[O-])c3)nc12 ZINC000053106244 202654489 /nfs/dbraw/zinc/65/44/89/202654489.db2.gz FFJQSECLLWTFMW-WZUFQYTHSA-N 0 0 347.783 4.350 50 5 EIBARN Cc1c(C(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000000311671 201459535 /nfs/dbraw/zinc/45/95/35/201459535.db2.gz JUFLZPLFWFSJEX-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000000426927 201471737 /nfs/dbraw/zinc/47/17/37/201471737.db2.gz PASSHZYUKVTSKU-UHFFFAOYSA-N 0 0 333.774 4.158 50 5 EIBARN Cc1ccccc1O[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001064986 201497898 /nfs/dbraw/zinc/49/78/98/201497898.db2.gz LZOKFHHONXGYNG-LBPRGKRZSA-N 0 0 325.324 4.093 50 5 EIBARN c1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)n1c1ccccc21 ZINC000000500239 201479914 /nfs/dbraw/zinc/47/99/14/201479914.db2.gz HAMRVMJHJGEOEC-UHFFFAOYSA-N 0 0 339.354 4.431 50 5 EIBARN CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000001391275 201506095 /nfs/dbraw/zinc/50/60/95/201506095.db2.gz FQVOTCMHAACAPO-UHFFFAOYSA-N 0 0 325.151 4.178 50 5 EIBARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])s1 ZINC000002660939 201540715 /nfs/dbraw/zinc/54/07/15/201540715.db2.gz MYKIBICKRICVMG-UHFFFAOYSA-N 0 0 346.389 4.137 50 5 EIBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000003552143 201576268 /nfs/dbraw/zinc/57/62/68/201576268.db2.gz ZOJIAMSYFRUDPU-UHFFFAOYSA-N 0 0 342.395 4.462 50 5 EIBARN CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000004502104 201604174 /nfs/dbraw/zinc/60/41/74/201604174.db2.gz IQENCKLLCASNNS-UHFFFAOYSA-N 0 0 343.379 4.163 50 5 EIBARN CCCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1 ZINC000005064949 201636792 /nfs/dbraw/zinc/63/67/92/201636792.db2.gz HTHARNGGNPNUGJ-UHFFFAOYSA-N 0 0 327.384 4.083 50 5 EIBARN CCc1nc2oc3ccc(Cl)cc3c(=O)c2c2nc3ccccc3n21 ZINC000005208497 201642765 /nfs/dbraw/zinc/64/27/65/201642765.db2.gz QABQBKGJWYDXSS-UHFFFAOYSA-N 0 0 349.777 4.358 50 5 EIBARN O=[N+]([O-])c1cccc2nc(/C=C/c3ccc4c(c3)OCCO4)ccc21 ZINC000006602269 201686776 /nfs/dbraw/zinc/68/67/76/201686776.db2.gz ZRRUVVQYKKTXRI-GQCTYLIASA-N 0 0 334.331 4.085 50 5 EIBARN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2C)cc1SC ZINC000065624127 202871956 /nfs/dbraw/zinc/87/19/56/202871956.db2.gz BYEAPAOXMUPYHW-UHFFFAOYSA-N 0 0 346.408 4.194 50 5 EIBARN O=[N+]([O-])c1cc(Cl)ccc1NCCc1cnn(-c2ccccc2)c1 ZINC000069493970 203010853 /nfs/dbraw/zinc/01/08/53/203010853.db2.gz HHOOTGVXWGUAAT-UHFFFAOYSA-N 0 0 342.786 4.089 50 5 EIBARN O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c2scc(-c3ccccc3)c21 ZINC000073478317 203266194 /nfs/dbraw/zinc/26/61/94/203266194.db2.gz QXDXWWWVVGKBJJ-UHFFFAOYSA-N 0 0 349.371 4.227 50 5 EIBARN O=C(Nc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000000310048 206233303 /nfs/dbraw/zinc/23/33/03/206233303.db2.gz CVLFIPUTXVZSQM-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002833061 206417264 /nfs/dbraw/zinc/41/72/64/206417264.db2.gz HULGGAJCTVIPGT-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN Cc1cccc(C)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079382265 257972672 /nfs/dbraw/zinc/97/26/72/257972672.db2.gz JXQSUUNBCXIZGU-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN CN(C(=O)c1sccc1SC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000107104818 564026806 /nfs/dbraw/zinc/02/68/06/564026806.db2.gz VFVYUCYMESHRES-UHFFFAOYSA-N 0 0 344.364 4.248 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000004159276 563496043 /nfs/dbraw/zinc/49/60/43/563496043.db2.gz BMCHLJAEORWACZ-UHFFFAOYSA-N 0 0 341.330 4.235 50 5 EIBARN COc1cc2oc3cc4c(cc3c(=O)c2cc1OC)CCC(C)(C)O4 ZINC000004167840 563496822 /nfs/dbraw/zinc/49/68/22/563496822.db2.gz GUZLKVIOJUVWLQ-UHFFFAOYSA-N 0 0 340.375 4.067 50 5 EIBARN Cc1ccc(C)c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000004331298 563649581 /nfs/dbraw/zinc/64/95/81/563649581.db2.gz RVXDILGMMLSJDY-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN CCc1cccc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000004348597 563663194 /nfs/dbraw/zinc/66/31/94/563663194.db2.gz ZEPFGEMXTCXDTQ-UHFFFAOYSA-N 0 0 327.365 4.019 50 5 EIBARN O=[N+]([O-])c1cccc(-c2ccc(SCc3ccccc3F)nn2)c1 ZINC000004355823 563666880 /nfs/dbraw/zinc/66/68/80/563666880.db2.gz FCWPNASDYVVINV-UHFFFAOYSA-N 0 0 341.367 4.483 50 5 EIBARN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004377640 563675630 /nfs/dbraw/zinc/67/56/30/563675630.db2.gz IIISDFVHLGNTMM-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1ccc2c(Cl)c(C(=O)Nc3ccc([N+](=O)[O-])cn3)sc2c1 ZINC000004619740 563931641 /nfs/dbraw/zinc/93/16/41/563931641.db2.gz XDPHANZXGQJRGE-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN O=C(Cc1c(F)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004704414 563964772 /nfs/dbraw/zinc/96/47/72/563964772.db2.gz WLQNWZHJYHAHRQ-UHFFFAOYSA-N 0 0 343.141 4.222 50 5 EIBARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000084276 563974655 /nfs/dbraw/zinc/97/46/55/563974655.db2.gz QBFIRIXUDKKYTD-UHFFFAOYSA-N 0 0 346.342 4.078 50 5 EIBARN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000000103346 563982204 /nfs/dbraw/zinc/98/22/04/563982204.db2.gz BLCZVNOLFVGOND-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 ZINC000004822694 563982358 /nfs/dbraw/zinc/98/23/58/563982358.db2.gz BYFJTZVKUSQKDS-UHFFFAOYSA-N 0 0 332.359 4.443 50 5 EIBARN COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000014142151 563983307 /nfs/dbraw/zinc/98/33/07/563983307.db2.gz AHBNATGUTRAVFR-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN COCc1c2ccccc2oc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000014185821 563983397 /nfs/dbraw/zinc/98/33/97/563983397.db2.gz UAGQUJWBEPKCNP-UHFFFAOYSA-N 0 0 340.335 4.048 50 5 EIBARN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 ZINC000000175398 563987630 /nfs/dbraw/zinc/98/76/30/563987630.db2.gz AVLOMTGCJKGBJX-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000000176018 563987667 /nfs/dbraw/zinc/98/76/67/563987667.db2.gz LJDMPWSXYNCIJL-UHFFFAOYSA-N 0 0 334.759 4.208 50 5 EIBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1cccc(Cl)c1 ZINC000000179946 563987762 /nfs/dbraw/zinc/98/77/62/563987762.db2.gz QEFWQCZCMZCMGB-OAHLLOKOSA-N 0 0 334.784 4.027 50 5 EIBARN Cc1cc2sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000000192375 563988072 /nfs/dbraw/zinc/98/80/72/563988072.db2.gz JPTDKMJPFZJJIL-UHFFFAOYSA-N 0 0 341.392 4.382 50 5 EIBARN COc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000000283616 563990167 /nfs/dbraw/zinc/99/01/67/563990167.db2.gz NEPFSKFZIQBYFG-ZDUSSCGKSA-N 0 0 340.379 4.049 50 5 EIBARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000004869334 563992154 /nfs/dbraw/zinc/99/21/54/563992154.db2.gz RIEPNVIJQQQZKM-UHFFFAOYSA-N 0 0 334.637 4.112 50 5 EIBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004902146 563992331 /nfs/dbraw/zinc/99/23/31/563992331.db2.gz JDCMWPBTTTXWAN-UHFFFAOYSA-N 0 0 337.335 4.119 50 5 EIBARN CCCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004902895 563992392 /nfs/dbraw/zinc/99/23/92/563992392.db2.gz JNRRKGLJFUONST-UHFFFAOYSA-N 0 0 339.351 4.491 50 5 EIBARN O=[N+]([O-])c1cccc(Cl)c1[C@@H]1NN=C(Cc2ccccc2)S1 ZINC000005018413 563993785 /nfs/dbraw/zinc/99/37/85/563993785.db2.gz NBEWPQJRYPFGNF-OAHLLOKOSA-N 0 0 333.800 4.139 50 5 EIBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000033824943 563994461 /nfs/dbraw/zinc/99/44/61/563994461.db2.gz SQBVEYQEWDHDIT-KMKOMSMNSA-N 0 0 347.168 4.009 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1 ZINC000000442995 563999563 /nfs/dbraw/zinc/99/95/63/563999563.db2.gz VSYQLKYHIHAQKH-UHFFFAOYSA-N 0 0 333.706 4.028 50 5 EIBARN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccoc1C ZINC000005364897 564003108 /nfs/dbraw/zinc/00/31/08/564003108.db2.gz HBFMJPJWBUXGQQ-UHFFFAOYSA-N 0 0 344.396 4.067 50 5 EIBARN Cc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000005414599 564003728 /nfs/dbraw/zinc/00/37/28/564003728.db2.gz KPHBDKXXGPMFRF-XNTDXEJSSA-N 0 0 340.360 4.144 50 5 EIBARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005540954 564005184 /nfs/dbraw/zinc/00/51/84/564005184.db2.gz UNSZQYKNIOVVIT-UHFFFAOYSA-N 0 0 348.786 4.354 50 5 EIBARN O=C(Cc1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1 ZINC000005559501 564005531 /nfs/dbraw/zinc/00/55/31/564005531.db2.gz GUYHZSPTVZXRKK-UHFFFAOYSA-N 0 0 340.162 4.188 50 5 EIBARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471985 564006112 /nfs/dbraw/zinc/00/61/12/564006112.db2.gz WCVWOAIFCGTXJX-NSHDSACASA-N 0 0 348.786 4.307 50 5 EIBARN O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCCC1 ZINC000000472061 564006202 /nfs/dbraw/zinc/00/62/02/564006202.db2.gz NTGYPULMSTZNHM-UHFFFAOYSA-N 0 0 346.770 4.277 50 5 EIBARN COc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000000542836 564022454 /nfs/dbraw/zinc/02/24/54/564022454.db2.gz CWZFEBPRYUEDJI-UHFFFAOYSA-N 0 0 338.319 4.116 50 5 EIBARN O=C(c1ccccc1)c1ccc(NCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000048286017 564030708 /nfs/dbraw/zinc/03/07/08/564030708.db2.gz DWVNKENCMOBSRG-UHFFFAOYSA-N 0 0 348.358 4.144 50 5 EIBARN COc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C ZINC000000613882 564031868 /nfs/dbraw/zinc/03/18/68/564031868.db2.gz DUULVVQOSQFGEI-UHFFFAOYSA-N 0 0 328.368 4.288 50 5 EIBARN O=[N+]([O-])c1c(NC[C@H]2CCN(c3ccccc3)C2)ccc2ncccc21 ZINC000052001424 564053214 /nfs/dbraw/zinc/05/32/14/564053214.db2.gz JGQOQWILDCNCDW-OAHLLOKOSA-N 0 0 348.406 4.081 50 5 EIBARN Cc1ccc(Sc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 ZINC000001386988 564063967 /nfs/dbraw/zinc/06/39/67/564063967.db2.gz VTESNOPJCJEPNF-UHFFFAOYSA-N 0 0 330.409 4.193 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2c(F)cccc21 ZINC000012775644 564069314 /nfs/dbraw/zinc/06/93/14/564069314.db2.gz MFYNJZWJJFTTEZ-CQSZACIVSA-N 0 0 347.371 4.093 50 5 EIBARN O=[N+]([O-])c1cccc(F)c1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000185020502 564072196 /nfs/dbraw/zinc/07/21/96/564072196.db2.gz OSPSVHAMOSBERZ-UHFFFAOYSA-N 0 0 349.705 4.016 50 5 EIBARN CCn1nc(C)c(-c2ccccc2OC)c1-c1cccc([N+](=O)[O-])c1 ZINC000075283293 564081507 /nfs/dbraw/zinc/08/15/07/564081507.db2.gz VHCXEJMVNGUBFO-UHFFFAOYSA-N 0 0 337.379 4.462 50 5 EIBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc2ccccc12 ZINC000001735590 564084693 /nfs/dbraw/zinc/08/46/93/564084693.db2.gz AYCUKPGGQFHGHR-PDGQHHTCSA-N 0 0 344.326 4.093 50 5 EIBARN CSc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000007007372 564103135 /nfs/dbraw/zinc/10/31/35/564103135.db2.gz GQNYPRVQSUCUPR-ZDUSSCGKSA-N 0 0 344.436 4.068 50 5 EIBARN Cc1csc(N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000014586799 564112531 /nfs/dbraw/zinc/11/25/31/564112531.db2.gz TVHNFOPGDAQCSU-UHFFFAOYSA-N 0 0 339.376 4.338 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC[C@H]1c1cn[nH]c1 ZINC000089768313 564113639 /nfs/dbraw/zinc/11/36/39/564113639.db2.gz DFTCSQCIUKGFEN-LBPRGKRZSA-N 0 0 340.305 4.068 50 5 EIBARN CCc1c(C)scc1-c1nnc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000017071982 564116331 /nfs/dbraw/zinc/11/63/31/564116331.db2.gz SPNSTEMVXHYLBS-UHFFFAOYSA-N 0 0 345.380 4.253 50 5 EIBARN Cc1c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000014911971 564118383 /nfs/dbraw/zinc/11/83/83/564118383.db2.gz XAZCQARPMXFPRA-UHFFFAOYSA-N 0 0 340.423 4.473 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(F)cc1 ZINC000002162630 564120147 /nfs/dbraw/zinc/12/01/47/564120147.db2.gz KWUZYYWCYLRMTL-UHFFFAOYSA-N 0 0 346.192 4.453 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2cc[nH]n2)nc1-c1ccccc1 ZINC000241588362 564123170 /nfs/dbraw/zinc/12/31/70/564123170.db2.gz PCKCJNSUOCOEDP-MRXNPFEDSA-N 0 0 349.394 4.112 50 5 EIBARN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(C)C)cc1 ZINC000007922885 564125496 /nfs/dbraw/zinc/12/54/96/564125496.db2.gz RFCGCYXCOFXNIF-GOSISDBHSA-N 0 0 342.395 4.039 50 5 EIBARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000064984764 564134124 /nfs/dbraw/zinc/13/41/24/564134124.db2.gz VYRNPFILBIPNFT-HNNXBMFYSA-N 0 0 344.371 4.075 50 5 EIBARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007943217 564135352 /nfs/dbraw/zinc/13/53/52/564135352.db2.gz KLJNUSPPNMLRPK-UHFFFAOYSA-N 0 0 345.405 4.341 50 5 EIBARN Cc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)ccc1[N+](=O)[O-] ZINC000013000982 564135825 /nfs/dbraw/zinc/13/58/25/564135825.db2.gz HWNGFPYAMLHBAX-ZDUSSCGKSA-N 0 0 342.420 4.434 50 5 EIBARN O=[N+]([O-])c1ccc(SCCSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002495690 564149905 /nfs/dbraw/zinc/14/99/05/564149905.db2.gz VKPWHSPOXMGOCD-UHFFFAOYSA-N 0 0 336.394 4.387 50 5 EIBARN CC(C)(C)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1-2 ZINC000002543551 564150588 /nfs/dbraw/zinc/15/05/88/564150588.db2.gz LTTCPQLJVCBFLQ-UHFFFAOYSA-N 0 0 347.374 4.289 50 5 EIBARN C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000058175550 564157944 /nfs/dbraw/zinc/15/79/44/564157944.db2.gz XGIJYYIORDVTOV-LBPRGKRZSA-N 0 0 347.802 4.151 50 5 EIBARN Cc1c(CN2CCn3cccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058406462 564158996 /nfs/dbraw/zinc/15/89/96/564158996.db2.gz PTLPUNVVOHKISU-NRFANRHFSA-N 0 0 347.418 4.310 50 5 EIBARN COc1ccc(-c2oc3c4ccccc4ccc3c(=O)c2O)cc1OC ZINC000004085032 564160436 /nfs/dbraw/zinc/16/04/36/564160436.db2.gz QKKFAWYMSIFENP-UHFFFAOYSA-N 0 0 348.354 4.336 50 5 biogenic EIBARN Cc1ccc([N+](=O)[O-])cc1NCc1ccc(Br)cc1F ZINC000008189740 564163454 /nfs/dbraw/zinc/16/34/54/564163454.db2.gz FBLRAVUGRARWSW-UHFFFAOYSA-N 0 0 339.164 4.417 50 5 EIBARN Cc1ccc(-c2nnc([C@@H](C)Oc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000008291147 564164024 /nfs/dbraw/zinc/16/40/24/564164024.db2.gz OHDLKVJXYJRAKP-GFCCVEGCSA-N 0 0 325.324 4.093 50 5 EIBARN O=[N+]([O-])c1cc2c(cc1F)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000038540701 564165116 /nfs/dbraw/zinc/16/51/16/564165116.db2.gz CJOJDNRJDBWZKM-UHFFFAOYSA-N 0 0 336.685 4.213 50 5 in-vitro EIBARN Cc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1[N+](=O)[O-] ZINC000040143013 564168347 /nfs/dbraw/zinc/16/83/47/564168347.db2.gz LBEKCBQYJNPZHL-UHFFFAOYSA-N 0 0 329.743 4.290 50 5 EIBARN O=[N+]([O-])c1ccc(NCCOc2ccc3c(c2)CCC3)c2ccncc21 ZINC000069350105 564168873 /nfs/dbraw/zinc/16/88/73/564168873.db2.gz ZQHZCNGPDZSWOS-UHFFFAOYSA-N 0 0 349.390 4.123 50 5 EIBARN O=[N+]([O-])c1ccc([C@@H]2NN=C(C34CC5CC(CC(C5)C3)C4)S2)cc1 ZINC000059378151 564177348 /nfs/dbraw/zinc/17/73/48/564177348.db2.gz UNDGXDDHBGMYOH-CVTKOYADSA-N 0 0 343.452 4.460 50 5 EIBARN O=c1cc2oc3c(cc4c5c3CCCN5CCC4)nc-2c2ccccc12 ZINC000003878687 1023208099 /nfs/dbraw/zinc/20/80/99/1023208099.db2.gz GFKDRKRCBOFVSQ-UHFFFAOYSA-N 0 0 342.398 4.145 50 5 EIBARN O=[N+]([O-])c1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000005938888 1025620680 /nfs/dbraw/zinc/62/06/80/1025620680.db2.gz SAPXERHKESAEGU-FPYGCLRLSA-N 0 0 327.321 4.283 50 5 EIBARN COCc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000161660727 1028524134 /nfs/dbraw/zinc/52/41/34/1028524134.db2.gz ZJJVZMVHTAKNNQ-OAHLLOKOSA-N 0 0 336.775 4.329 50 5 EIBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2cccnc2)no1 ZINC000006868023 201702885 /nfs/dbraw/zinc/70/28/85/201702885.db2.gz JDEODNUPFPGSMN-UHFFFAOYSA-N 0 0 341.326 4.058 50 5 EIBARN CCCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000007659104 201725728 /nfs/dbraw/zinc/72/57/28/201725728.db2.gz GMAUUJQTDBZSHR-UHFFFAOYSA-N 0 0 332.331 4.165 50 5 EIBARN COc1ccc(-c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])o2)cc1 ZINC000009038935 201767423 /nfs/dbraw/zinc/76/74/23/201767423.db2.gz ZUJQJBWCEFTADH-CSKARUKUSA-N 0 0 326.308 4.330 50 5 EIBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000012556099 201854854 /nfs/dbraw/zinc/85/48/54/201854854.db2.gz SVFMUOWUTYPNMO-UHFFFAOYSA-N 0 0 333.775 4.079 50 5 EIBARN CC(=O)c1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000019871484 202023259 /nfs/dbraw/zinc/02/32/59/202023259.db2.gz WFGKIUDNHBMEPA-UHFFFAOYSA-N 0 0 336.141 4.352 50 5 EIBARN O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCC4)N23)cc1 ZINC000020289149 202036742 /nfs/dbraw/zinc/03/67/42/202036742.db2.gz SLIMGDFBHBKUFV-IERKJGKXSA-N 0 0 333.391 4.093 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCCO3)c2ccncc21 ZINC000022806734 202092130 /nfs/dbraw/zinc/09/21/30/202092130.db2.gz IMZLAMNBPWJSSZ-UHFFFAOYSA-N 0 0 337.335 4.048 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(C2CCCCC2)o1 ZINC000022892271 202094264 /nfs/dbraw/zinc/09/42/64/202094264.db2.gz OQWFQTCRJLGUOL-UHFFFAOYSA-N 0 0 349.412 4.326 50 5 EIBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1csc(-c2ccsc2)n1 ZINC000025183403 202127948 /nfs/dbraw/zinc/12/79/48/202127948.db2.gz PEKNCJKKQYOBBM-UHFFFAOYSA-N 0 0 346.389 4.137 50 5 EIBARN CC(=O)c1c(C)cc(C)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000026347719 202142015 /nfs/dbraw/zinc/14/20/15/202142015.db2.gz QVROXXAOOCVLMZ-UHFFFAOYSA-N 0 0 340.423 4.355 50 5 EIBARN Cc1cc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 ZINC000025833752 202136748 /nfs/dbraw/zinc/13/67/48/202136748.db2.gz ZPVQEVROWJMZON-ZDUSSCGKSA-N 0 0 341.411 4.181 50 5 EIBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2O)o1 ZINC000032891552 202239518 /nfs/dbraw/zinc/23/95/18/202239518.db2.gz DRAWXCVJLTVYIN-JTQLQIEISA-N 0 0 343.364 4.204 50 5 EIBARN COc1ccc(NC(=O)N[C@H](C)c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000032895377 202239345 /nfs/dbraw/zinc/23/93/45/202239345.db2.gz JDJYSDLNCSDCMB-CYBMUJFWSA-N 0 0 343.383 4.103 50 5 EIBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033678061 212958981 /nfs/dbraw/zinc/95/89/81/212958981.db2.gz YKZXZEJENXSBAV-HKBVPSITSA-N 0 0 340.354 4.115 50 5 EIBARN CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 ZINC000008091838 201362708 /nfs/dbraw/zinc/36/27/08/201362708.db2.gz PNBNFKUEZOBVFJ-SFQUDFHCSA-N 0 0 346.342 4.372 50 5 EIBARN Cc1[nH]c2ccc(CNC(=O)/C=C\c3ccccc3[N+](=O)[O-])cc2c1C ZINC000097259124 201383891 /nfs/dbraw/zinc/38/38/91/201383891.db2.gz BBTRODHJXLMSIS-NTMALXAHSA-N 0 0 349.390 4.023 50 5 EIBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000098053516 201386317 /nfs/dbraw/zinc/38/63/17/201386317.db2.gz AFJVSLLMTRKSIW-KMKOMSMNSA-N 0 0 336.269 4.266 50 5 EIBARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000044919 201426614 /nfs/dbraw/zinc/42/66/14/201426614.db2.gz KLWLOSCIRMBHNS-UHFFFAOYSA-N 0 0 348.358 4.426 50 5 EIBARN Cc1cc(Cl)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000000099434 201434396 /nfs/dbraw/zinc/43/43/96/201434396.db2.gz GUDHNOLXRDPCIH-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)C ZINC000000133501 201438992 /nfs/dbraw/zinc/43/89/92/201438992.db2.gz CAMDMNRYORKABN-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN Cc1nc2ccc(Cl)cc2c2c(N)c3ccc([N+](=O)[O-])cc3n21 ZINC000000287085 201457028 /nfs/dbraw/zinc/45/70/28/201457028.db2.gz VHSOBESFVKZROH-UHFFFAOYSA-N 0 0 326.743 4.093 50 5 EIBARN O=[N+]([O-])c1ccc(CNN2[C@@H]3CCCC[C@@H]3C[C@@H]3CCCC[C@H]32)cc1 ZINC000230030417 242224889 /nfs/dbraw/zinc/22/48/89/242224889.db2.gz XVQZTFSRIZIHRA-PIKOESSRSA-N 0 0 343.471 4.423 50 5 EIBARN O=C(O[C@@H]1C[C@@]23CC=CC[C@]12CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000230110386 242234073 /nfs/dbraw/zinc/23/40/73/242234073.db2.gz GHVXUURYWQXWHI-NEWSRXKRSA-N 0 0 327.380 4.421 50 5 EIBARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002623888 201537580 /nfs/dbraw/zinc/53/75/80/201537580.db2.gz LREWDYOBPTWYCV-JTQLQIEISA-N 0 0 336.800 4.368 50 5 EIBARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004361119 201598911 /nfs/dbraw/zinc/59/89/11/201598911.db2.gz QGBDGQBSJNOFDG-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000005061086 201636466 /nfs/dbraw/zinc/63/64/66/201636466.db2.gz MGFSPKQSEPFKQP-UHFFFAOYSA-N 0 0 343.236 4.397 50 5 EIBARN O=C(Nc1ccc2c(c1)oc1c(F)cccc1c2=O)c1ccccc1 ZINC000006660339 201689704 /nfs/dbraw/zinc/68/97/04/201689704.db2.gz KGUADSZNPOHRBA-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000069700701 203038504 /nfs/dbraw/zinc/03/85/04/203038504.db2.gz BKWNNTQBOFFSDL-KRWDZBQOSA-N 0 0 342.399 4.303 50 5 EIBARN Cc1nc(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cs1 ZINC000000577284 205488028 /nfs/dbraw/zinc/48/80/28/205488028.db2.gz WKBAPHXTZZFLGH-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000011203826 206866167 /nfs/dbraw/zinc/86/61/67/206866167.db2.gz UDTMBUCFSWWKBF-INIZCTEOSA-N 0 0 330.771 4.129 50 5 EIBARN NC(=O)c1ccccc1OCc1nc2ccccc2c2ccccc12 ZINC000012513320 207167277 /nfs/dbraw/zinc/16/72/77/207167277.db2.gz JSSLYWLGDYNEML-UHFFFAOYSA-N 0 0 328.371 4.066 50 5 EIBARN CCCSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC ZINC000012561601 207171603 /nfs/dbraw/zinc/17/16/03/207171603.db2.gz YQPMQSBWPLTDBJ-UHFFFAOYSA-N 0 0 343.408 4.444 50 5 EIBARN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000004828863 210290324 /nfs/dbraw/zinc/29/03/24/210290324.db2.gz DCIGKYFEBMHEAG-UHFFFAOYSA-N 0 0 337.738 4.446 50 5 EIBARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000002999119 527498047 /nfs/dbraw/zinc/49/80/47/527498047.db2.gz GRBQJKOGEWERKN-UHFFFAOYSA-N 0 0 349.755 4.217 50 5 EIBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4sc3cc(O)c12 ZINC000003898658 563491057 /nfs/dbraw/zinc/49/10/57/563491057.db2.gz RWFQFVVYCOIUAI-UHFFFAOYSA-N 0 0 345.379 4.115 50 5 EIBARN CCC(=O)Oc1cn(C2CC2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013237859 563693051 /nfs/dbraw/zinc/69/30/51/563693051.db2.gz JJONTLFVMZEZSG-UHFFFAOYSA-N 0 0 348.406 4.050 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000004426329 563697354 /nfs/dbraw/zinc/69/73/54/563697354.db2.gz WJGBLBSCHKSPFU-GWCFXTLKSA-N 0 0 343.210 4.433 50 5 EIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000011228265 563963937 /nfs/dbraw/zinc/96/39/37/563963937.db2.gz VDNVOYFMNQSIGH-UHFFFAOYSA-N 0 0 338.407 4.080 50 5 EIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2oc(C3CC3)nc2c1 ZINC000033213863 563964753 /nfs/dbraw/zinc/96/47/53/563964753.db2.gz IOYWELJQDJPEEA-JXMROGBWSA-N 0 0 349.346 4.265 50 5 EIBARN Cc1ccc(C(C)C)c(OC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000000038497 563967506 /nfs/dbraw/zinc/96/75/06/563967506.db2.gz ZHNNUHIDHYVQTF-UHFFFAOYSA-N 0 0 329.352 4.011 50 5 EIBARN O=[N+]([O-])c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl ZINC000000046156 563968597 /nfs/dbraw/zinc/96/85/97/563968597.db2.gz TZQSHKZRXFRLTJ-UHFFFAOYSA-N 0 0 325.752 4.196 50 5 EIBARN Cc1cc(Cl)c(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000000073157 563973686 /nfs/dbraw/zinc/97/36/86/563973686.db2.gz CXXJAOYYRUFMMX-UHFFFAOYSA-N 0 0 326.135 4.429 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CCc2ccccc2)CC1 ZINC000011452531 563976290 /nfs/dbraw/zinc/97/62/90/563976290.db2.gz GXAINPVJSYDSQB-UHFFFAOYSA-N 0 0 338.407 4.080 50 5 EIBARN Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)[N+](=O)[O-] ZINC000000121948 563986810 /nfs/dbraw/zinc/98/68/10/563986810.db2.gz HBTJDPLUCRBUDO-CWTRNNRKSA-N 0 0 338.363 4.002 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)(C)C ZINC000000133669 563986938 /nfs/dbraw/zinc/98/69/38/563986938.db2.gz GQHZEMPWIBVHQH-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN Cc1nc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000000169465 563987450 /nfs/dbraw/zinc/98/74/50/563987450.db2.gz YSKXWOOPQXTYFN-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cnc(Cl)c1Cl ZINC000000160953 563987461 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C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004865997 563992135 /nfs/dbraw/zinc/99/21/35/563992135.db2.gz CZEFHUWMOHUSIF-CQSZACIVSA-N 0 0 339.395 4.226 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1 ZINC000004867698 563992146 /nfs/dbraw/zinc/99/21/46/563992146.db2.gz WRZISWIVTINBQM-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1c(F)cccc1Cl ZINC000004904354 563992358 /nfs/dbraw/zinc/99/23/58/563992358.db2.gz WSBWEJOVUHFTHV-SOFGYWHQSA-N 0 0 334.734 4.348 50 5 EIBARN Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005041608 563994034 /nfs/dbraw/zinc/99/40/34/563994034.db2.gz LCIVHEQUBWVYRD-ZDUSSCGKSA-N 0 0 329.425 4.259 50 5 EIBARN CCCCNc1ccc(C(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] ZINC000005063485 563994103 /nfs/dbraw/zinc/99/41/03/563994103.db2.gz UWVVSKQQQFHXRY-UHFFFAOYSA-N 0 0 341.411 4.474 50 5 EIBARN COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000005093476 563994277 /nfs/dbraw/zinc/99/42/77/563994277.db2.gz 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O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000036347908 202322022 /nfs/dbraw/zinc/32/20/22/202322022.db2.gz WZQAKUYSLXLQMN-NRFANRHFSA-N 0 0 347.418 4.392 50 5 EIBARN CN(Cc1ccccc1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1Cl ZINC000048263198 202596246 /nfs/dbraw/zinc/59/62/46/202596246.db2.gz XPASHPGZGBPLFB-UHFFFAOYSA-N 0 0 345.708 4.298 50 5 EIBARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000000103363 201435405 /nfs/dbraw/zinc/43/54/05/201435405.db2.gz IKIRIAOFYUXTEB-GFCCVEGCSA-N 0 0 328.368 4.369 50 5 EIBARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000254656 201454228 /nfs/dbraw/zinc/45/42/28/201454228.db2.gz UQEAXBKVRVBCHU-UHFFFAOYSA-N 0 0 348.358 4.426 50 5 EIBARN O=C(Nc1ccc(Oc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000313164 201460030 /nfs/dbraw/zinc/46/00/30/201460030.db2.gz KMABZDZINDQXQD-UHFFFAOYSA-N 0 0 335.319 4.034 50 5 EIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cccc1Cl ZINC000000441748 201473497 /nfs/dbraw/zinc/47/34/97/201473497.db2.gz 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O=[N+]([O-])c1cccc2c1Sc1ccccc1[C@]2(O)c1ccccc1 ZINC000004128669 201591344 /nfs/dbraw/zinc/59/13/44/201591344.db2.gz PXYBCMHFNFSGEN-LJQANCHMSA-N 0 0 335.384 4.344 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000004544120 201606261 /nfs/dbraw/zinc/60/62/61/201606261.db2.gz FMDRAZPWJXFOKS-UHFFFAOYSA-N 0 0 328.368 4.190 50 5 EIBARN CCCCNc1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000020667153 212159657 /nfs/dbraw/zinc/15/96/57/212159657.db2.gz GTGHERUTXWNMFU-UHFFFAOYSA-N 0 0 344.849 4.463 50 5 EIBARN O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccccc1Cl ZINC000020413111 212127182 /nfs/dbraw/zinc/12/71/82/212127182.db2.gz NUFPEXJADKNXOJ-UHFFFAOYSA-N 0 0 347.801 4.217 50 5 EIBARN Cc1ccc(OCCOc2cccc3ccc(C)nc32)c([N+](=O)[O-])c1 ZINC000002825245 205632886 /nfs/dbraw/zinc/63/28/86/205632886.db2.gz QKDCKRCBCGUUPM-UHFFFAOYSA-N 0 0 338.363 4.218 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000004079354 205680676 /nfs/dbraw/zinc/68/06/76/205680676.db2.gz 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ZINC000000172866 135646211 /nfs/dbraw/zinc/64/62/11/135646211.db2.gz FBQXEHLYBRLCDI-UHFFFAOYSA-N 0 0 330.727 4.440 50 5 EIBARN Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000002830996 135658781 /nfs/dbraw/zinc/65/87/81/135658781.db2.gz YJRMCAKOTKIAOJ-UHFFFAOYSA-N 0 0 339.395 4.146 50 5 EIBARN O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2ccccc12 ZINC000000045386 563213176 /nfs/dbraw/zinc/21/31/76/563213176.db2.gz KSYFJMYHWWKFLY-UHFFFAOYSA-N 0 0 347.326 4.433 50 5 EIBARN Cc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1C ZINC000000138889 563241530 /nfs/dbraw/zinc/24/15/30/563241530.db2.gz ROCHDQBVFQXJPJ-UHFFFAOYSA-N 0 0 327.383 4.121 50 5 EIBARN O=C(Nc1c2ccccc2nc2ccccc21)C(Cl)(Cl)Cl ZINC000004998782 563518198 /nfs/dbraw/zinc/51/81/98/563518198.db2.gz VGGIPCOTCBCUBE-UHFFFAOYSA-N 0 0 339.609 4.119 50 5 EIBARN C[C@H](NC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1 ZINC000005093835 563520869 /nfs/dbraw/zinc/52/08/69/563520869.db2.gz BVYYQHPLJQOBCW-AWEZNQCLSA-N 0 0 343.382 4.437 50 5 EIBARN CC(C)c1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1 ZINC000005074012 563520900 /nfs/dbraw/zinc/52/09/00/563520900.db2.gz PNABKGTYWYGSRG-UHFFFAOYSA-N 0 0 331.375 4.109 50 5 EIBARN Cn1c(-c2ccc(Cl)cc2)cnc1Sc1ncccc1[N+](=O)[O-] ZINC000004339233 563649220 /nfs/dbraw/zinc/64/92/20/563649220.db2.gz QBSJTSGOZBLXEM-UHFFFAOYSA-N 0 0 346.799 4.195 50 5 EIBARN CC(C)(C)c1ccc(NC(=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 ZINC000004382591 563676316 /nfs/dbraw/zinc/67/63/16/563676316.db2.gz RTHSZUQRVRVGTH-UHFFFAOYSA-N 0 0 339.606 4.201 50 5 EIBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCCCC1 ZINC000032968988 563920049 /nfs/dbraw/zinc/92/00/49/563920049.db2.gz SPRBQTBRSXQXAI-UHFFFAOYSA-N 0 0 328.368 4.261 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000004615484 563931650 /nfs/dbraw/zinc/93/16/50/563931650.db2.gz VKZSAXNNUNEOTJ-UHFFFAOYSA-N 0 0 332.359 4.365 50 5 EIBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004700918 563964742 /nfs/dbraw/zinc/96/47/42/563964742.db2.gz 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563988807 /nfs/dbraw/zinc/98/88/07/563988807.db2.gz VWLXMSHINPJNJJ-UHFFFAOYSA-N 0 0 340.408 4.166 50 5 EIBARN Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000258994 563989478 /nfs/dbraw/zinc/98/94/78/563989478.db2.gz CSKWLOAAYYGYIA-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288676 563990176 /nfs/dbraw/zinc/99/01/76/563990176.db2.gz OCXLNIWKNQVTBM-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN COc1ccccc1C(=O)Nc1cc2c(ccc3ccccc32)oc1=O ZINC000000381536 563991951 /nfs/dbraw/zinc/99/19/51/563991951.db2.gz JANLYWIAHZKILD-UHFFFAOYSA-N 0 0 345.354 4.207 50 5 EIBARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 ZINC000004903209 563992346 /nfs/dbraw/zinc/99/23/46/563992346.db2.gz XNSDTRRRVLPDDJ-LBPRGKRZSA-N 0 0 348.786 4.271 50 5 EIBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1Cl ZINC000004949402 563992869 /nfs/dbraw/zinc/99/28/69/563992869.db2.gz YEEVIUWRPAVTNW-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN CCCCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000004980372 563993531 /nfs/dbraw/zinc/99/35/31/563993531.db2.gz NMZHFGHMVTVYCW-UHFFFAOYSA-N 0 0 348.424 4.047 50 5 EIBARN O=C(Nc1cccc2ncccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000005027959 563993841 /nfs/dbraw/zinc/99/38/41/563993841.db2.gz BDGLOWWYLGUGDG-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN Cc1cc(NC(=O)c2cccc(F)c2)nc2c3ccccc3oc(=O)c12 ZINC000000428473 563998900 /nfs/dbraw/zinc/99/89/00/563998900.db2.gz KSAGVZZYXFJBMB-UHFFFAOYSA-N 0 0 348.333 4.041 50 5 EIBARN CSc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O ZINC000000211413 563999175 /nfs/dbraw/zinc/99/91/75/563999175.db2.gz AJRAOCKFSPNHHI-UHFFFAOYSA-N 0 0 345.423 4.226 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Br)no2)cc1 ZINC000000442877 563999583 /nfs/dbraw/zinc/99/95/83/563999583.db2.gz IKHMXVCDDRAMBS-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000005410966 564003740 /nfs/dbraw/zinc/00/37/40/564003740.db2.gz 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564027117 /nfs/dbraw/zinc/02/71/17/564027117.db2.gz VMAMFHIKSDSHRW-UHFFFAOYSA-N 0 0 340.448 4.225 50 5 EIBARN COc1ccc(F)cc1[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000048310953 564030801 /nfs/dbraw/zinc/03/08/01/564030801.db2.gz CWOJNOPQKPSHNI-LLVKDONJSA-N 0 0 341.342 4.464 50 5 EIBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2ccccc2)CC1 ZINC000048317833 564030913 /nfs/dbraw/zinc/03/09/13/564030913.db2.gz OMXXAFUXCVAONN-UHFFFAOYSA-N 0 0 349.390 4.096 50 5 EIBARN Cc1ccc2c(c1)CCCN2C(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000611647 564031751 /nfs/dbraw/zinc/03/17/51/564031751.db2.gz PDEBGENPRPRTOK-UHFFFAOYSA-N 0 0 327.409 4.053 50 5 EIBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F ZINC000005771013 564034464 /nfs/dbraw/zinc/03/44/64/564034464.db2.gz QWGBSZGFUGIUHL-UHFFFAOYSA-N 0 0 343.339 4.110 50 5 EIBARN CC[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000225560328 564047824 /nfs/dbraw/zinc/04/78/24/564047824.db2.gz IPSBOUYJXZKEIU-GOEBONIOSA-N 0 0 334.419 4.028 50 5 EIBARN CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 ZINC000012688476 564062620 /nfs/dbraw/zinc/06/26/20/564062620.db2.gz RZGAKMWKCAPQGB-NSHDSACASA-N 0 0 344.396 4.320 50 5 EIBARN C[C@H](O[C@H]1C[C@@H](Cc2ccc([N+](=O)[O-])cc2)CO1)c1ccccc1 ZINC000248378428 564063458 /nfs/dbraw/zinc/06/34/58/564063458.db2.gz JMGJVBYWFITZOE-GMBSWORKSA-N 0 0 327.380 4.278 50 5 EIBARN O=C(CCCc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1 ZINC000001395338 564064426 /nfs/dbraw/zinc/06/44/26/564064426.db2.gz GRXNQKWXKCTVBH-UHFFFAOYSA-N 0 0 338.363 4.142 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cnc(Cl)s1 ZINC000001402008 564064933 /nfs/dbraw/zinc/06/49/33/564064933.db2.gz JXQMMNPVSDNWTL-UHFFFAOYSA-N 0 0 338.694 4.303 50 5 EIBARN O=C(N[C@H](c1cccs1)C1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000084436937 564068169 /nfs/dbraw/zinc/06/81/69/564068169.db2.gz KTVNHWMJQOBMFG-AWEZNQCLSA-N 0 0 336.438 4.379 50 5 EIBARN C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1nc(C2CC2)no1 ZINC000084667685 564069521 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O=C(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc1c2=O ZINC000006660283 564095577 /nfs/dbraw/zinc/09/55/77/564095577.db2.gz ALYKPQBFMYOTMA-UHFFFAOYSA-N 0 0 329.355 4.127 50 5 EIBARN C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000007298003 564106587 /nfs/dbraw/zinc/10/65/87/564106587.db2.gz UEPBMOLRRFTEQZ-GFCCVEGCSA-N 0 0 341.392 4.422 50 5 EIBARN C[C@@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000065609339 564108264 /nfs/dbraw/zinc/10/82/64/564108264.db2.gz HKNNKNIBKFPDDF-DYVFJYSZSA-N 0 0 329.400 4.150 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1cccs1 ZINC000014629097 564112612 /nfs/dbraw/zinc/11/26/12/564112612.db2.gz AFCBUMVBKNLPGN-ZDUSSCGKSA-N 0 0 336.800 4.287 50 5 EIBARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000064984766 564134138 /nfs/dbraw/zinc/13/41/38/564134138.db2.gz VYRNPFILBIPNFT-OAHLLOKOSA-N 0 0 344.371 4.075 50 5 EIBARN Cc1ccc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2n1 ZINC000009192639 564134284 /nfs/dbraw/zinc/13/42/84/564134284.db2.gz 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Cc1c(NC(=O)N(C)Cc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000040099069 564168020 /nfs/dbraw/zinc/16/80/20/564168020.db2.gz LFTUOIJFJBNMDV-UHFFFAOYSA-N 0 0 333.775 4.221 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)cc1C(F)(F)F ZINC000009646892 564174374 /nfs/dbraw/zinc/17/43/74/564174374.db2.gz HQQDUVYKUOFSNW-UHFFFAOYSA-N 0 0 340.257 4.128 50 5 EIBARN O=[N+]([O-])c1ccccc1Oc1nc(C(F)(F)F)nc2ccccc21 ZINC000009740989 564174593 /nfs/dbraw/zinc/17/45/93/564174593.db2.gz GISXGWLMBDJSBB-UHFFFAOYSA-N 0 0 335.241 4.349 50 5 EIBARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000052567525 1034555110 /nfs/dbraw/zinc/55/51/10/1034555110.db2.gz LGBOCJYLZRSJJM-KQQSKNTNSA-N 0 0 342.420 4.206 50 5 EIBARN O=[N+]([O-])c1ccc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1 ZINC000097998963 219067196 /nfs/dbraw/zinc/06/71/96/219067196.db2.gz PBIBRIHDJWRDTF-KPKJPENVSA-N 0 0 333.756 4.443 50 5 EIBARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCc1ccccc1 ZINC000004542794 210218282 /nfs/dbraw/zinc/21/82/82/210218282.db2.gz 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COc1ccc(Oc2ncnc3c4ccccc4oc32)c([N+](=O)[O-])c1 ZINC000023381054 202103727 /nfs/dbraw/zinc/10/37/27/202103727.db2.gz GSRWXPSIUWRUIF-UHFFFAOYSA-N 0 0 337.291 4.085 50 5 EIBARN CC(=O)Nc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000024831985 202121672 /nfs/dbraw/zinc/12/16/72/202121672.db2.gz PSPMQHQPFWXQET-UHFFFAOYSA-N 0 0 339.376 4.344 50 5 EIBARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025106175 202126610 /nfs/dbraw/zinc/12/66/10/202126610.db2.gz ZBBVVZLLFICOFI-NSHDSACASA-N 0 0 348.786 4.090 50 5 EIBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000025614434 202134775 /nfs/dbraw/zinc/13/47/75/202134775.db2.gz OFSRIRIIKQGFRO-KBPBESRZSA-N 0 0 344.436 4.295 50 5 EIBARN Cc1ccnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000027648444 202158406 /nfs/dbraw/zinc/15/84/06/202158406.db2.gz VYRBYIOPPDCTOC-UHFFFAOYSA-N 0 0 348.362 4.294 50 5 EIBARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000030316287 202195035 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CC(C)(C)n1cnnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000140062 201439994 /nfs/dbraw/zinc/43/99/94/201439994.db2.gz ZHWYOISJUPVKGF-UHFFFAOYSA-N 0 0 346.334 4.111 50 5 EIBARN O=[N+]([O-])c1cccc(-c2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000000147043 201441095 /nfs/dbraw/zinc/44/10/95/201441095.db2.gz PTUPZIXIHBSWEM-UHFFFAOYSA-N 0 0 326.333 4.114 50 5 EIBARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000442406 201473223 /nfs/dbraw/zinc/47/32/23/201473223.db2.gz OCPSSCHBODHMDG-HNNXBMFYSA-N 0 0 334.759 4.044 50 5 EIBARN Cc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000474416 201477934 /nfs/dbraw/zinc/47/79/34/201477934.db2.gz RWYGVTLPCXKYAI-UHFFFAOYSA-N 0 0 339.178 4.140 50 5 EIBARN O=C(Nc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000000471596 201477981 /nfs/dbraw/zinc/47/79/81/201477981.db2.gz CCSNFGDBPDCBMT-UHFFFAOYSA-N 0 0 348.358 4.426 50 5 EIBARN O=C(Nc1ccc(F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000001385553 201505101 /nfs/dbraw/zinc/50/51/01/201505101.db2.gz SYWHQXQQUQGUIP-UHFFFAOYSA-N 0 0 343.339 4.110 50 5 EIBARN O=C(/C=C/C=C/c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001783330 201519605 /nfs/dbraw/zinc/51/96/05/201519605.db2.gz UFDNLXJVOAACOP-KBXRYBNXSA-N 0 0 328.755 4.456 50 5 EIBARN Cc1ccc(Cl)cc1Nc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000004131728 201590933 /nfs/dbraw/zinc/59/09/33/201590933.db2.gz UYPPZDBHEFQPQJ-UHFFFAOYSA-N 0 0 339.138 4.490 50 5 EIBARN COP(=O)(OC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004733721 201614852 /nfs/dbraw/zinc/61/48/52/201614852.db2.gz LYEWFFIVWWQBIQ-HNNXBMFYSA-N 0 0 336.284 4.191 50 5 EIBARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000005013799 201633269 /nfs/dbraw/zinc/63/32/69/201633269.db2.gz DZNAQYVWBPDSHG-UHFFFAOYSA-N 0 0 325.246 4.258 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000005013934 201633921 /nfs/dbraw/zinc/63/39/21/201633921.db2.gz QLFHZQGHZPMOCU-UHFFFAOYSA-N 0 0 340.379 4.054 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000005899660 201666494 /nfs/dbraw/zinc/66/64/94/201666494.db2.gz GTBUJYUMMJNXDF-UHFFFAOYSA-N 0 0 343.217 4.145 50 5 EIBARN O=[N+]([O-])c1cc(Br)c(F)cc1NCc1ccccc1 ZINC000074937717 203297664 /nfs/dbraw/zinc/29/76/64/203297664.db2.gz VYYWWISQACSPII-UHFFFAOYSA-N 0 0 325.137 4.109 50 5 EIBARN COc1cc(Nc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])cc1OC ZINC000095452445 203745842 /nfs/dbraw/zinc/74/58/42/203745842.db2.gz SXNSLJXKAIJINM-UHFFFAOYSA-N 0 0 327.340 4.145 50 5 EIBARN Cc1cccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1 ZINC000000428482 205463361 /nfs/dbraw/zinc/46/33/61/205463361.db2.gz DXXLALKCUQIVCO-UHFFFAOYSA-N 0 0 344.370 4.210 50 5 EIBARN O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000005819196 205777900 /nfs/dbraw/zinc/77/79/00/205777900.db2.gz KQYIXAXUFKWJNO-UHFFFAOYSA-N 0 0 343.342 4.369 50 5 EIBARN O=C(N=c1[nH]c2ccc3ccccc3c2s1)c1ccccc1[N+](=O)[O-] ZINC000006345269 205801339 /nfs/dbraw/zinc/80/13/39/205801339.db2.gz UQIYJZYWQRXXTG-UHFFFAOYSA-N 0 0 349.371 4.032 50 5 EIBARN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155803401 206034434 /nfs/dbraw/zinc/03/44/34/206034434.db2.gz CJFJTUMONCFEMU-STQMWFEESA-N 0 0 330.432 4.267 50 5 EIBARN COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000000259758 206222166 /nfs/dbraw/zinc/22/21/66/206222166.db2.gz FOPGEUMGQYXPOM-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000000452580 206240879 /nfs/dbraw/zinc/24/08/79/206240879.db2.gz NREOZTGXSIPRHE-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004014271 207144732 /nfs/dbraw/zinc/14/47/32/207144732.db2.gz BNRSGEFCHIZGLA-UHFFFAOYSA-N 0 0 340.166 4.196 50 5 EIBARN CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1C[C@@H](C)O[C@@H](C)C1 ZINC000012558576 207169771 /nfs/dbraw/zinc/16/97/71/207169771.db2.gz YIRDBVFDSROVBN-BETUJISGSA-N 0 0 330.384 4.378 50 5 EIBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004904114 135667826 /nfs/dbraw/zinc/66/78/26/135667826.db2.gz HPXFSQXFORWOEE-KKNAONHISA-N 0 0 340.354 4.115 50 5 EIBARN O=C(Nc1cccc(OC2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000029028103 527365146 /nfs/dbraw/zinc/36/51/46/527365146.db2.gz CCVYAOFIBUMJEE-UHFFFAOYSA-N 0 0 326.352 4.169 50 5 EIBARN Cc1ccc2[nH]c3cc4c(cc3c(=O)c2c1)[nH]c1ccc(C)cc1c4=O ZINC000005419982 563531983 /nfs/dbraw/zinc/53/19/83/563531983.db2.gz TXWSZJSDZKWQAU-UHFFFAOYSA-N 0 0 340.382 4.293 50 5 EIBARN Cc1c(C(=O)Nc2cccc(OC3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000032769538 563729832 /nfs/dbraw/zinc/72/98/32/563729832.db2.gz DKAANPSXSMGLCZ-UHFFFAOYSA-N 0 0 340.379 4.477 50 5 EIBARN O=[N+]([O-])c1cc(Br)c(OCc2ccccc2)cc1F ZINC000261493496 563926412 /nfs/dbraw/zinc/92/64/12/563926412.db2.gz CEZKOFUCIIFJBC-UHFFFAOYSA-N 0 0 326.121 4.075 50 5 EIBARN O=[N+]([O-])c1ccc(OCc2nnc(C3CC3)o2)c(-c2cccs2)c1 ZINC000096428836 563952269 /nfs/dbraw/zinc/95/22/69/563952269.db2.gz CVEKTBAUCXWABM-UHFFFAOYSA-N 0 0 343.364 4.163 50 5 EIBARN Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004706667 563964749 /nfs/dbraw/zinc/96/47/49/563964749.db2.gz UYSXJZMMDIEJHA-UHFFFAOYSA-N 0 0 339.395 4.146 50 5 EIBARN CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccc(Cl)cc1 ZINC000584904519 563967502 /nfs/dbraw/zinc/96/75/02/563967502.db2.gz KWCGREJVOPRDGT-UHFFFAOYSA-N 0 0 334.759 4.094 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc2ccccc12 ZINC000000045829 563968621 /nfs/dbraw/zinc/96/86/21/563968621.db2.gz RIIGEDZHCISNPC-FMIVXFBMSA-N 0 0 348.358 4.409 50 5 EIBARN O=C(Oc1cccc2cccnc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000063722 563971268 /nfs/dbraw/zinc/97/12/68/563971268.db2.gz RPUXODCGYBSSTO-UHFFFAOYSA-N 0 0 328.711 4.016 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccccc1Cl ZINC000000068998 563973133 /nfs/dbraw/zinc/97/31/33/563973133.db2.gz VGEWQWGHRRYTBH-MRXNPFEDSA-N 0 0 348.811 4.136 50 5 EIBARN Cc1cc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1Cl ZINC000000080717 563974661 /nfs/dbraw/zinc/97/46/61/563974661.db2.gz NPQYCHNNTFJMLQ-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN CCCc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000000082732 563974905 /nfs/dbraw/zinc/97/49/05/563974905.db2.gz NVAXFJUWUAZFNC-UHFFFAOYSA-N 0 0 339.347 4.233 50 5 biogenic EIBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000000090664 563976494 /nfs/dbraw/zinc/97/64/94/563976494.db2.gz ACHNVGSCKVPPMS-UHFFFAOYSA-N 0 0 347.195 4.111 50 5 EIBARN O=c1c2cc(-c3ccccc3)sc2nc2c3ccccc3cnn12 ZINC000000091487 563976571 /nfs/dbraw/zinc/97/65/71/563976571.db2.gz XENUVJXVQFJZOU-UHFFFAOYSA-N 0 0 329.384 4.124 50 5 EIBARN O=[N+]([O-])c1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cs1 ZINC000000108627 563982140 /nfs/dbraw/zinc/98/21/40/563982140.db2.gz QZCBWUWAUZUALB-UHFFFAOYSA-N 0 0 341.270 4.392 50 5 EIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2ncsc2c1 ZINC000014094659 563983191 /nfs/dbraw/zinc/98/31/91/563983191.db2.gz WZASMJFLPPSELQ-NSHDSACASA-N 0 0 341.392 4.038 50 5 EIBARN O=C(NC1CCCC1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000004834504 563983914 /nfs/dbraw/zinc/98/39/14/563983914.db2.gz OEZJVYHJJFZXQT-UHFFFAOYSA-N 0 0 342.420 4.418 50 5 EIBARN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000328589571 563984184 /nfs/dbraw/zinc/98/41/84/563984184.db2.gz QOTPSQKMRHJSNQ-SNVBAGLBSA-N 0 0 337.420 4.339 50 5 EIBARN Cc1ccc2cccc(OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2n1 ZINC000000105855 563986451 /nfs/dbraw/zinc/98/64/51/563986451.db2.gz ODNWUYBXVFKFDG-UHFFFAOYSA-N 0 0 342.738 4.324 50 5 EIBARN COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000145309 563987076 /nfs/dbraw/zinc/98/70/76/563987076.db2.gz RDCMIGLJQDQILZ-VOTSOKGWSA-N 0 0 346.770 4.217 50 5 EIBARN Cc1ccc(Sc2c(C=O)c3cc([N+](=O)[O-])ccc3n2C)cc1 ZINC000000168354 563987534 /nfs/dbraw/zinc/98/75/34/563987534.db2.gz BVGAWALYWQGFDQ-UHFFFAOYSA-N 0 0 326.377 4.359 50 5 EIBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000000180775 563987861 /nfs/dbraw/zinc/98/78/61/563987861.db2.gz XJJRQXJWTVJBAE-HNNXBMFYSA-N 0 0 334.784 4.027 50 5 EIBARN COc1ccc(Nc2cc(C)nc3c(C)c(C)cc([N+](=O)[O-])c23)cc1 ZINC000000183398 563987892 /nfs/dbraw/zinc/98/78/92/563987892.db2.gz FNUKHGSXTSMJBY-UHFFFAOYSA-N 0 0 337.379 4.242 50 5 EIBARN Cc1cc2c(cc1C)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)N2 ZINC000000221459 563988811 /nfs/dbraw/zinc/98/88/11/563988811.db2.gz WELUPBPULQNNNE-GFCCVEGCSA-N 0 0 330.771 4.339 50 5 EIBARN Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000000272643 563990067 /nfs/dbraw/zinc/99/00/67/563990067.db2.gz MSSGOHFIPOGHGO-UHFFFAOYSA-N 0 0 327.365 4.246 50 5 EIBARN Cc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000000367993 563991749 /nfs/dbraw/zinc/99/17/49/563991749.db2.gz ZMTLLFOBDMILIS-UHFFFAOYSA-N 0 0 327.365 4.246 50 5 EIBARN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000000371417 563991795 /nfs/dbraw/zinc/99/17/95/563991795.db2.gz WIDKUDGZQLRHNI-GFCCVEGCSA-N 0 0 332.787 4.356 50 5 EIBARN CC1CCN(C(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000004858456 563992081 /nfs/dbraw/zinc/99/20/81/563992081.db2.gz JPAAYYNEZXJHIN-UHFFFAOYSA-N 0 0 340.379 4.259 50 5 EIBARN CCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000005092962 563994267 /nfs/dbraw/zinc/99/42/67/563994267.db2.gz GAWFXBPGMDLITI-UHFFFAOYSA-N 0 0 344.367 4.035 50 5 EIBARN Cc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000000436525 563999292 /nfs/dbraw/zinc/99/92/92/563999292.db2.gz HOXCXYXIFNSFMI-UHFFFAOYSA-N 0 0 334.169 4.205 50 5 EIBARN CCCCc1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005207271 564000625 /nfs/dbraw/zinc/00/06/25/564000625.db2.gz YDZCEIMFPOJLJG-UHFFFAOYSA-N 0 0 343.386 4.485 50 5 EIBARN Cc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] ZINC000000460518 564000847 /nfs/dbraw/zinc/00/08/47/564000847.db2.gz MNLWNMYGRCNXJU-UHFFFAOYSA-N 0 0 342.738 4.324 50 5 EIBARN Cc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] ZINC000014723090 564013547 /nfs/dbraw/zinc/01/35/47/564013547.db2.gz AGRIPXFSEWGPHB-UHFFFAOYSA-N 0 0 342.439 4.240 50 5 EIBARN Cc1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000015011586 564018369 /nfs/dbraw/zinc/01/83/69/564018369.db2.gz XOBPRFCFRIQVBN-NTUHNPAUSA-N 0 0 346.389 4.492 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000000557453 564022857 /nfs/dbraw/zinc/02/28/57/564022857.db2.gz MHLFOAHOQURLAM-UHFFFAOYSA-N 0 0 327.384 4.002 50 5 EIBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000047611895 564026537 /nfs/dbraw/zinc/02/65/37/564026537.db2.gz NPHQNTOEBZLPTC-UHFFFAOYSA-N 0 0 333.775 4.302 50 5 EIBARN CCN(CC)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005794950 564052210 /nfs/dbraw/zinc/05/22/10/564052210.db2.gz MRENQEZZADGQNK-UHFFFAOYSA-N 0 0 347.802 4.347 50 5 EIBARN O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000003473574 564059747 /nfs/dbraw/zinc/05/97/47/564059747.db2.gz AQUGQUONXLWVOL-UHFFFAOYSA-N 0 0 332.359 4.438 50 5 EIBARN O=C(Nc1ccc(F)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004078783 564061837 /nfs/dbraw/zinc/06/18/37/564061837.db2.gz GSGCAPPWEFOFQT-UHFFFAOYSA-N 0 0 334.303 4.340 50 5 EIBARN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCCCCC2)c1 ZINC000083992846 564065751 /nfs/dbraw/zinc/06/57/51/564065751.db2.gz KVYRBTWWFQGNJY-UHFFFAOYSA-N 0 0 336.457 4.407 50 5 EIBARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000012895817 564077619 /nfs/dbraw/zinc/07/76/19/564077619.db2.gz YGQFYCPNQWNXMW-MRXNPFEDSA-N 0 0 330.771 4.129 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc2c(O)cccc12 ZINC000001753396 564087213 /nfs/dbraw/zinc/08/72/13/564087213.db2.gz FVZQEWZWWSPWHC-UHFFFAOYSA-N 0 0 337.335 4.406 50 5 EIBARN COP(=O)(OC)[C@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001816291 564088702 /nfs/dbraw/zinc/08/87/02/564088702.db2.gz LOASWEXTTFLOCR-HNNXBMFYSA-N 0 0 336.284 4.191 50 5 EIBARN Cc1ccc(OCc2csc(-c3ccsc3)n2)c([N+](=O)[O-])n1 ZINC000007370866 564107605 /nfs/dbraw/zinc/10/76/05/564107605.db2.gz LSAMHJQIOZUHMC-UHFFFAOYSA-N 0 0 333.394 4.062 50 5 EIBARN Cc1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])cs2)cc1 ZINC000007545060 564110256 /nfs/dbraw/zinc/11/02/56/564110256.db2.gz IODLDJXVVGFZAB-UHFFFAOYSA-N 0 0 327.365 4.001 50 5 EIBARN C[C@@H](Sc1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000010030072 564111008 /nfs/dbraw/zinc/11/10/08/564111008.db2.gz UAOHNBRPLQLPHN-LLVKDONJSA-N 0 0 326.381 4.233 50 5 EIBARN O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000002522051 564120928 /nfs/dbraw/zinc/12/09/28/564120928.db2.gz HEEWOUATVDFPJP-UHFFFAOYSA-N 0 0 349.184 4.042 50 5 EIBARN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)CCC2 ZINC000065864904 564121771 /nfs/dbraw/zinc/12/17/71/564121771.db2.gz MJBFGNVTKJXOBR-UHFFFAOYSA-N 0 0 338.407 4.134 50 5 EIBARN COc1ccc2c(c1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000002454926 564135542 /nfs/dbraw/zinc/13/55/42/564135542.db2.gz IHYWQSHBHFRFJX-UHFFFAOYSA-N 0 0 325.349 4.133 50 5 EIBARN Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000012993694 564135803 /nfs/dbraw/zinc/13/58/03/564135803.db2.gz YFYWGLIKVJGUTF-UHFFFAOYSA-N 0 0 345.405 4.341 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(C)C)c1 ZINC000079073024 564137834 /nfs/dbraw/zinc/13/78/34/564137834.db2.gz ACVYRJWAGIKTPR-UHFFFAOYSA-N 0 0 342.399 4.045 50 5 EIBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000002626086 564151332 /nfs/dbraw/zinc/15/13/32/564151332.db2.gz JMBCTSJDCYRMIG-UHFFFAOYSA-N 0 0 338.388 4.479 50 5 EIBARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000030317238 564155905 /nfs/dbraw/zinc/15/59/05/564155905.db2.gz HNABSXQSCINLKW-QMMMGPOBSA-N 0 0 343.166 4.328 50 5 EIBARN CCCN(CC1CC1)C(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003325954 564157334 /nfs/dbraw/zinc/15/73/34/564157334.db2.gz LXVOVLFIXAASDZ-UHFFFAOYSA-N 0 0 327.837 4.067 50 5 EIBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C1CC1 ZINC000003395003 564157913 /nfs/dbraw/zinc/15/79/13/564157913.db2.gz YPIUGTGELDRIDS-UHFFFAOYSA-N 0 0 348.786 4.263 50 5 EIBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(O)cc1 ZINC000003510600 564158618 /nfs/dbraw/zinc/15/86/18/564158618.db2.gz 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CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000048362948 204351526 /nfs/dbraw/zinc/35/15/26/204351526.db2.gz CYRDZDZZLYQNGP-UHFFFAOYSA-N 0 0 338.722 4.038 50 5 EIBARN C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017068163 211949245 /nfs/dbraw/zinc/94/92/45/211949245.db2.gz QCCXSFWIDSDTIS-SNVBAGLBSA-N 0 0 331.759 4.231 50 5 EIBARN Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)[C@@H](C)[N+](=O)[O-] ZINC000000121952 205407983 /nfs/dbraw/zinc/40/79/83/205407983.db2.gz HBTJDPLUCRBUDO-BLVKFPJESA-N 0 0 338.363 4.002 50 5 EIBARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000116642 205408151 /nfs/dbraw/zinc/40/81/51/205408151.db2.gz RCLROZUZDZGDJM-UHFFFAOYSA-N 0 0 348.358 4.279 50 5 EIBARN COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103057 206208776 /nfs/dbraw/zinc/20/87/76/206208776.db2.gz DRQFLUZWORXURW-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(F)ccc1[N+](=O)[O-] ZINC000000256067 206221780 /nfs/dbraw/zinc/22/17/80/206221780.db2.gz 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Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000004819753 563974950 /nfs/dbraw/zinc/97/49/50/563974950.db2.gz BATLAWZDEKQQKC-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000014108891 563983238 /nfs/dbraw/zinc/98/32/38/563983238.db2.gz KPFMZFNQFKCSDU-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000000152213 563987389 /nfs/dbraw/zinc/98/73/89/563987389.db2.gz QNJMQMLNDULDJH-UHFFFAOYSA-N 0 0 342.376 4.403 50 5 EIBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccccc1F ZINC000000195599 563988250 /nfs/dbraw/zinc/98/82/50/563988250.db2.gz KLDFMPJBNDHTNG-ATJXCDBQSA-N 0 0 332.334 4.056 50 5 EIBARN COc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000266475 563989884 /nfs/dbraw/zinc/98/98/84/563989884.db2.gz DFBGVEJEWVUAAP-UHFFFAOYSA-N 0 0 338.319 4.116 50 5 EIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1-c1ccccc1 ZINC000000264101 563989914 /nfs/dbraw/zinc/98/99/14/563989914.db2.gz ZDWRKIWWIJYWFE-UHFFFAOYSA-N 0 0 344.326 4.062 50 5 EIBARN COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000000283614 563990252 /nfs/dbraw/zinc/99/02/52/563990252.db2.gz DZQOIWAYOUNVKQ-ZDUSSCGKSA-N 0 0 340.379 4.049 50 5 EIBARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000005034483 563993911 /nfs/dbraw/zinc/99/39/11/563993911.db2.gz FKTGOJLCSRJFBX-UHFFFAOYSA-N 0 0 338.319 4.116 50 5 EIBARN Cc1ccccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000005061107 563994122 /nfs/dbraw/zinc/99/41/22/563994122.db2.gz FBHBWNTXYNIKCM-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000005136499 563994565 /nfs/dbraw/zinc/99/45/65/563994565.db2.gz PSZPGFUXKFLLEN-UHFFFAOYSA-N 0 0 328.802 4.041 50 5 EIBARN COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000449958 563999566 /nfs/dbraw/zinc/99/95/66/563999566.db2.gz FBVUYERTNIQPOS-UHFFFAOYSA-N 0 0 340.310 4.148 50 5 EIBARN O=C(Cc1ccccc1[N+](=O)[O-])NC(c1ccccc1)c1ccccc1 ZINC000005172102 563999871 /nfs/dbraw/zinc/99/98/71/563999871.db2.gz XQVDQDIANXNBFN-UHFFFAOYSA-N 0 0 346.386 4.043 50 5 EIBARN CCc1ccccc1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000000466741 564000730 /nfs/dbraw/zinc/00/07/30/564000730.db2.gz FVGDPHFESNEKQK-UHFFFAOYSA-N 0 0 346.342 4.111 50 5 EIBARN CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005315716 564002526 /nfs/dbraw/zinc/00/25/26/564002526.db2.gz ITVQAKZNYJEWKS-UHFFFAOYSA-N 0 0 347.293 4.148 50 5 in-vitro EIBARN Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003183799 564004113 /nfs/dbraw/zinc/00/41/13/564004113.db2.gz DHKOUKLHZJRBSE-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccccc1F ZINC000003068708 564004149 /nfs/dbraw/zinc/00/41/49/564004149.db2.gz HUQRKRYGMHCMMT-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1C[C@@H](C)O[C@H](C)C1 ZINC000005577207 564005850 /nfs/dbraw/zinc/00/58/50/564005850.db2.gz YIRDBVFDSROVBN-CHWSQXEVSA-N 0 0 330.384 4.378 50 5 EIBARN Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 ZINC000000470703 564006189 /nfs/dbraw/zinc/00/61/89/564006189.db2.gz PHAHICPWEHPJFV-UHFFFAOYSA-N 0 0 340.408 4.085 50 5 EIBARN Cc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000562755 564023259 /nfs/dbraw/zinc/02/32/59/564023259.db2.gz GBASEMNGQSBZCP-ZDUSSCGKSA-N 0 0 330.409 4.331 50 5 EIBARN CSc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012038903 564026302 /nfs/dbraw/zinc/02/63/02/564026302.db2.gz OINKHKVCXCIDNK-LLVKDONJSA-N 0 0 348.449 4.436 50 5 EIBARN COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-] ZINC000112967180 564032407 /nfs/dbraw/zinc/03/24/07/564032407.db2.gz VKEKKVCWODTGAP-UHFFFAOYSA-N 0 0 348.721 4.083 50 5 in-vitro EIBARN O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049082147 564032457 /nfs/dbraw/zinc/03/24/57/564032457.db2.gz MZGVNRFAVMXZLK-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)ccc1Br ZINC000095215592 564033134 /nfs/dbraw/zinc/03/31/34/564033134.db2.gz IOVWOUAYBODBPY-UHFFFAOYSA-N 0 0 335.368 4.064 50 5 EIBARN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000012579336 564059975 /nfs/dbraw/zinc/05/99/75/564059975.db2.gz KWZWBBRCMOQSCW-MRXNPFEDSA-N 0 0 342.786 4.183 50 5 EIBARN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000012579328 564059979 /nfs/dbraw/zinc/05/99/79/564059979.db2.gz KWZWBBRCMOQSCW-INIZCTEOSA-N 0 0 342.786 4.183 50 5 EIBARN CCOC(OCC)c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 ZINC000001395598 564064421 /nfs/dbraw/zinc/06/44/21/564064421.db2.gz MXJRHJLMTIZMFD-DHZHZOJOSA-N 0 0 332.356 4.133 50 5 EIBARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000012895823 564077624 /nfs/dbraw/zinc/07/76/24/564077624.db2.gz AWYJNJLNGVPZCW-INIZCTEOSA-N 0 0 330.771 4.129 50 5 EIBARN COc1ccc(NC(C=CNc2ccc(C)cc2)=C[N+](=O)[O-])cc1 ZINC000075284226 564081588 /nfs/dbraw/zinc/08/15/88/564081588.db2.gz UYANCJJIXKQUIK-VBEVGYOXSA-N 0 0 325.368 4.159 50 5 EIBARN O=[N+]([O-])c1ccccc1OCCSc1nnc(C2CCCCC2)o1 ZINC000053485582 564081752 /nfs/dbraw/zinc/08/17/52/564081752.db2.gz XWISSRXZIZZMGK-UHFFFAOYSA-N 0 0 349.412 4.197 50 5 EIBARN CCCCN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000001774817 564087489 /nfs/dbraw/zinc/08/74/89/564087489.db2.gz MDDCKWACBAFWGH-UHFFFAOYSA-N 0 0 336.395 4.441 50 5 EIBARN CCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000001869161 564088975 /nfs/dbraw/zinc/08/89/75/564088975.db2.gz NRCKTMYIGWPRJA-UHFFFAOYSA-N 0 0 347.378 4.355 50 5 EIBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccc(F)cc1 ZINC000006660803 564095559 /nfs/dbraw/zinc/09/55/59/564095559.db2.gz LZGWXQIWVIAKCY-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN CCc1cccc(C)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006831519 564099201 /nfs/dbraw/zinc/09/92/01/564099201.db2.gz KOPAOJSAHKYPBW-UHFFFAOYSA-N 0 0 339.395 4.292 50 5 EIBARN O=C(Nc1cccc(-c2cnco2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000323913127 564111022 /nfs/dbraw/zinc/11/10/22/564111022.db2.gz SGLRGTGHEZOESM-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN CC[C@H](SC)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000089941916 564115578 /nfs/dbraw/zinc/11/55/78/564115578.db2.gz LWWGNJCFGJWVLD-INIZCTEOSA-N 0 0 342.416 4.131 50 5 EIBARN CC[C@@H](C)N(C(=S)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)CC ZINC000017071136 564116325 /nfs/dbraw/zinc/11/63/25/564116325.db2.gz CEEORMKDHNWNLI-VXGBXAGGSA-N 0 0 339.461 4.199 50 5 EIBARN O=[N+]([O-])c1ccccc1OCCCCCOc1ccccc1[N+](=O)[O-] ZINC000002164715 564120176 /nfs/dbraw/zinc/12/01/76/564120176.db2.gz HLNZNIFDYMWHPY-UHFFFAOYSA-N 0 0 346.339 4.131 50 5 EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1ccc(F)cc1Cl ZINC000002173629 564120619 /nfs/dbraw/zinc/12/06/19/564120619.db2.gz VKAQVCIMRDDMMB-UHFFFAOYSA-N 0 0 328.658 4.137 50 5 EIBARN CC(C)(C)C(=O)Cn1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000018190956 564133657 /nfs/dbraw/zinc/13/36/57/564133657.db2.gz KWEPWMFPFFVACN-UHFFFAOYSA-N 0 0 337.379 4.227 50 5 EIBARN Cc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000012974973 564135735 /nfs/dbraw/zinc/13/57/35/564135735.db2.gz LPPHSXDRKPZPPA-CQSZACIVSA-N 0 0 346.383 4.009 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nccc3c4cc([N+](=O)[O-])ccc4[nH]c32)cc1 ZINC000096316107 564146691 /nfs/dbraw/zinc/14/66/91/564146691.db2.gz XOYUGSRNKGWGHA-UHFFFAOYSA-N 0 0 334.291 4.200 50 5 EIBARN O=C(Sc1nc2ccccc2o1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000028294219 564150911 /nfs/dbraw/zinc/15/09/11/564150911.db2.gz BMKYPFTUWUOOJH-UHFFFAOYSA-N 0 0 334.740 4.322 50 5 EIBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000002651202 564151907 /nfs/dbraw/zinc/15/19/07/564151907.db2.gz OUBIURMWCADMLS-UHFFFAOYSA-N 0 0 338.388 4.479 50 5 EIBARN COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)Nc2ccccc2C1(C)C ZINC000002910755 564153048 /nfs/dbraw/zinc/15/30/48/564153048.db2.gz YTPOHVRTFXDHQS-IBGZPJMESA-N 0 0 338.363 4.109 50 5 EIBARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000003187590 564155800 /nfs/dbraw/zinc/15/58/00/564155800.db2.gz OOAMLXJYWWEREO-UHFFFAOYSA-N 0 0 337.407 4.094 50 5 EIBARN O=C(OCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000003220228 564156003 /nfs/dbraw/zinc/15/60/03/564156003.db2.gz URPZMEAOJZOGBW-UHFFFAOYSA-N 0 0 340.360 4.075 50 5 EIBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000003302482 564157253 /nfs/dbraw/zinc/15/72/53/564157253.db2.gz PMTZYXBRULWTHW-UHFFFAOYSA-N 0 0 326.135 4.259 50 5 EIBARN Cc1c(C(=O)OCc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000003315688 564157287 /nfs/dbraw/zinc/15/72/87/564157287.db2.gz VODTZZJWQJJASA-UHFFFAOYSA-N 0 0 339.269 4.279 50 5 EIBARN C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000058169371 564157924 /nfs/dbraw/zinc/15/79/24/564157924.db2.gz TXHIDIACGXDWHS-GFCCVEGCSA-N 0 0 347.802 4.151 50 5 EIBARN CCC(=O)c1ccc(OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 ZINC000003553840 564158900 /nfs/dbraw/zinc/15/89/00/564158900.db2.gz FNECGTKQJWTYQD-UHFFFAOYSA-N 0 0 345.376 4.129 50 5 EIBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000004014310 564160017 /nfs/dbraw/zinc/16/00/17/564160017.db2.gz FEVRTGXHMKDNQC-UHFFFAOYSA-N 0 0 340.166 4.196 50 5 EIBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000008062429 564162462 /nfs/dbraw/zinc/16/24/62/564162462.db2.gz PESBWSNHSSZLDS-JTQLQIEISA-N 0 0 344.754 4.485 50 5 EIBARN Cc1cc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1C(C)C ZINC000008147883 564163169 /nfs/dbraw/zinc/16/31/69/564163169.db2.gz RDLZZVAQGPTTDP-UHFFFAOYSA-N 0 0 349.408 4.222 50 5 EIBARN CCC[C@H](NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008448632 564165341 /nfs/dbraw/zinc/16/53/41/564165341.db2.gz ZTBGDNACFJEPIL-KDOFPFPSSA-N 0 0 342.395 4.020 50 5 EIBARN CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000040095654 564167965 /nfs/dbraw/zinc/16/79/65/564167965.db2.gz JLCQRBPEOUMOFL-UHFFFAOYSA-N 0 0 331.347 4.096 50 5 EIBARN COc1cc(Cl)cc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000009239544 564171728 /nfs/dbraw/zinc/17/17/28/564171728.db2.gz XWSSDNXPXAMBHJ-UHFFFAOYSA-N 0 0 331.711 4.030 50 5 EIBARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009515165 564173991 /nfs/dbraw/zinc/17/39/91/564173991.db2.gz UOUFNHAQNITTHN-JTQLQIEISA-N 0 0 336.800 4.368 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004975339 1027447235 /nfs/dbraw/zinc/44/72/35/1027447235.db2.gz UMWVOFILDADPPE-UHFFFAOYSA-N 0 0 346.342 4.078 50 5 EIBARN COc1ccc(OC)c(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000055050703 214267544 /nfs/dbraw/zinc/26/75/44/214267544.db2.gz BCKWJKCPOSFESO-UHFFFAOYSA-N 0 0 342.376 4.403 50 5 EIBARN CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000004278954 210159470 /nfs/dbraw/zinc/15/94/70/210159470.db2.gz CQUWMEVEBRARMG-UHFFFAOYSA-N 0 0 328.368 4.334 50 5 EIBARN Cc1cccc(C(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 ZINC000012549808 201853578 /nfs/dbraw/zinc/85/35/78/201853578.db2.gz SEXALOSGCYYGHZ-UHFFFAOYSA-N 0 0 349.346 4.343 50 5 EIBARN O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccco3)c2c2ccccc12 ZINC000012610358 201858571 /nfs/dbraw/zinc/85/85/71/201858571.db2.gz FJBQHUQJYFTWGX-UHFFFAOYSA-N 0 0 330.265 4.355 50 5 EIBARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000012930032 201875753 /nfs/dbraw/zinc/87/57/53/201875753.db2.gz PUCMHMJAQPZZBK-MVGZEHJDSA-N 0 0 342.420 4.206 50 5 EIBARN CC(=O)Nc1cc(N[C@H]2CCCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000023079585 202097621 /nfs/dbraw/zinc/09/76/21/202097621.db2.gz CXIWBXFEMUMOQV-HNNXBMFYSA-N 0 0 343.358 4.182 50 5 EIBARN C[C@H](c1ccccc1)N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000025614442 202134217 /nfs/dbraw/zinc/13/42/17/202134217.db2.gz OFSRIRIIKQGFRO-KGLIPLIRSA-N 0 0 344.436 4.295 50 5 EIBARN CC(C)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl ZINC000040072321 202167903 /nfs/dbraw/zinc/16/79/03/202167903.db2.gz YZXKYUNSIQQZBL-UHFFFAOYSA-N 0 0 338.747 4.128 50 5 EIBARN COC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C(C)C)cc1 ZINC000040146056 202178246 /nfs/dbraw/zinc/17/82/46/202178246.db2.gz UQXUFKVCWBMUOO-RMKNXTFCSA-N 0 0 326.352 4.070 50 5 EIBARN O=C(Nc1cccc(C(F)F)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067993989 202202553 /nfs/dbraw/zinc/20/25/53/202202553.db2.gz MEXZIAGJOTTZMI-UHFFFAOYSA-N 0 0 328.221 4.063 50 5 EIBARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000031806524 202209103 /nfs/dbraw/zinc/20/91/03/202209103.db2.gz KNITWVZUTWVGPK-MRXNPFEDSA-N 0 0 330.409 4.318 50 5 EIBARN S=C(Nc1cc2cccnc2c2cccnc12)N1CCCCCC1 ZINC000075260704 202379221 /nfs/dbraw/zinc/37/92/21/202379221.db2.gz QWHCJLXBFZEYOW-UHFFFAOYSA-N 0 0 336.464 4.356 50 5 EIBARN CC(C)(C)c1n[nH]cc1C=Cc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000097220163 201384286 /nfs/dbraw/zinc/38/42/86/201384286.db2.gz HUYWBQPABHAPDP-DAXSKMNVSA-N 0 0 328.397 4.396 50 5 EIBARN CC(=O)c1csc(NC(=O)c2cc3ccccc3c3cccnc23)n1 ZINC000058189937 202741392 /nfs/dbraw/zinc/74/13/92/202741392.db2.gz LGJMNBJLAANPBE-UHFFFAOYSA-N 0 0 347.399 4.299 50 5 EIBARN Cc1nc2sc3c4nc5ccccc5n4nnc3c2c(C)c1Cl ZINC000000054556 201427523 /nfs/dbraw/zinc/42/75/23/201427523.db2.gz QGBOVHNXYHTLLZ-UHFFFAOYSA-N 0 0 339.811 4.311 50 5 EIBARN Cc1c2oc3c(nc4n[nH]cc4c3-c3cccc(O)c3)c2ccc1O ZINC000218132733 241300639 /nfs/dbraw/zinc/30/06/39/241300639.db2.gz RCJMMVMUGUXYIV-UHFFFAOYSA-N 0 0 331.331 4.244 50 5 EIBARN O=C(CSc1nc2cc(Cl)ccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000000617592 201491331 /nfs/dbraw/zinc/49/13/31/201491331.db2.gz IZXFCMVHDVWAEX-UHFFFAOYSA-N 0 0 348.767 4.364 50 5 EIBARN O=[N+]([O-])c1ccc2nc(Nc3nc4cc(Cl)ccc4[nH]3)sc2c1 ZINC000001016252 201496883 /nfs/dbraw/zinc/49/68/83/201496883.db2.gz ZJAOUBNEWQWCDJ-UHFFFAOYSA-N 0 0 345.771 4.478 50 5 EIBARN CC[C@H](C)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000000464137 201476276 /nfs/dbraw/zinc/47/62/76/201476276.db2.gz BQOAGZUZRVRMSN-ZDUSSCGKSA-N 0 0 328.368 4.126 50 5 EIBARN CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000002897598 201550738 /nfs/dbraw/zinc/55/07/38/201550738.db2.gz HRPVQHFORXPNOK-UHFFFAOYSA-N 0 0 328.368 4.334 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1C ZINC000003086042 201555721 /nfs/dbraw/zinc/55/57/21/201555721.db2.gz VRBXRNAGQDYLOU-UHFFFAOYSA-N 0 0 335.747 4.209 50 5 EIBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000003552855 201576907 /nfs/dbraw/zinc/57/69/07/201576907.db2.gz OFSBWVLYDUGYLW-VIFPVBQESA-N 0 0 339.178 4.393 50 5 EIBARN Cc1ccccc1OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004181156 201592607 /nfs/dbraw/zinc/59/26/07/201592607.db2.gz JHBPOHXMGXGVKC-UHFFFAOYSA-N 0 0 340.301 4.413 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000071971767 203155547 /nfs/dbraw/zinc/15/55/47/203155547.db2.gz RQQULLHYKRGJME-UHFFFAOYSA-N 0 0 326.333 4.114 50 5 EIBARN CCCOc1ccccc1[C@@H](CC(C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000076092861 203337164 /nfs/dbraw/zinc/33/71/64/203337164.db2.gz MSTUDGIPFUWVMF-OAHLLOKOSA-N 0 0 346.431 4.316 50 5 EIBARN O=[N+]([O-])c1c(N2CCCCC[C@H]2c2ccco2)nc2sccn21 ZINC000097163716 203931090 /nfs/dbraw/zinc/93/10/90/203931090.db2.gz ABSWNKGXXWSXPS-NSHDSACASA-N 0 0 332.385 4.019 50 5 EIBARN Cc1c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2ccc1Cl ZINC000004330823 205705316 /nfs/dbraw/zinc/70/53/16/205705316.db2.gz YKMYCLIHCDKDCC-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000102991 206208615 /nfs/dbraw/zinc/20/86/15/206208615.db2.gz CSXCTGADXUQBQG-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1nc(NCc2ccccc2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000012421361 207142991 /nfs/dbraw/zinc/14/29/91/207142991.db2.gz OEBGYVMMRIGDOF-UHFFFAOYSA-N 0 0 335.367 4.049 50 5 EIBARN Cc1cc(OC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc(C)c1Cl ZINC000097323810 219011845 /nfs/dbraw/zinc/01/18/45/219011845.db2.gz UWZMGVIDUHGFNC-FPLPWBNLSA-N 0 0 331.755 4.484 50 5 EIBARN O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000176627699 257954980 /nfs/dbraw/zinc/95/49/80/257954980.db2.gz YSZDTQFGQGQUMY-UHFFFAOYSA-N 0 0 341.298 4.005 50 5 EIBARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000000556494 135652468 /nfs/dbraw/zinc/65/24/68/135652468.db2.gz BDNUPMUAXKYCET-UHFFFAOYSA-N 0 0 349.774 4.084 50 5 EIBARN CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)CC1 ZINC000000072046 521046773 /nfs/dbraw/zinc/04/67/73/521046773.db2.gz DRIKLQHSQLBMOJ-UHFFFAOYSA-N 0 0 348.406 4.441 50 5 EIBARN CC(=O)Oc1cn(C2CCCC2)c2nc(C)n3c4ccccc4nc3c12 ZINC000013228190 563692593 /nfs/dbraw/zinc/69/25/93/563692593.db2.gz YHHGXRIMMZXJGK-UHFFFAOYSA-N 0 0 348.406 4.186 50 5 EIBARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000134809 563812734 /nfs/dbraw/zinc/81/27/34/563812734.db2.gz QNVNLGXNNORDDN-UHFFFAOYSA-N 0 0 349.342 4.393 50 5 EIBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccccn1)CO2 ZINC000020567155 563859665 /nfs/dbraw/zinc/85/96/65/563859665.db2.gz GDBSUAWIBYKZPI-UHFFFAOYSA-N 0 0 344.370 4.006 50 5 EIBARN CCc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004668219 563963563 /nfs/dbraw/zinc/96/35/63/563963563.db2.gz XTSUKPZCISQMJF-UHFFFAOYSA-N 0 0 339.395 4.010 50 5 EIBARN COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004702866 563965863 /nfs/dbraw/zinc/96/58/63/563965863.db2.gz HEAFKOSYOAHTDM-UHFFFAOYSA-N 0 0 328.368 4.153 50 5 EIBARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000041384 563968608 /nfs/dbraw/zinc/96/86/08/563968608.db2.gz JCJDOVRWIBXGDE-ZYHUDNBSSA-N 0 0 329.183 4.125 50 5 EIBARN Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000073438 563973736 /nfs/dbraw/zinc/97/37/36/563973736.db2.gz JBRMAYFFRRWJIQ-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004814297 563974974 /nfs/dbraw/zinc/97/49/74/563974974.db2.gz GESPBZBLNMZIQW-UHFFFAOYSA-N 0 0 328.368 4.050 50 5 EIBARN COC(=O)c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 ZINC000000090313 563976442 /nfs/dbraw/zinc/97/64/42/563976442.db2.gz YYGVPGAZRKSRIY-UHFFFAOYSA-N 0 0 337.784 4.327 50 5 EIBARN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000000103353 563982148 /nfs/dbraw/zinc/98/21/48/563982148.db2.gz BDZYJQMEFCDSIR-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 in-vivo EIBARN Cc1cc(N2CCCCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858199 563983114 /nfs/dbraw/zinc/98/31/14/563983114.db2.gz VUQSZQJPJKDKQZ-UHFFFAOYSA-N 0 0 326.400 4.131 50 5 EIBARN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000133554 563986947 /nfs/dbraw/zinc/98/69/47/563986947.db2.gz AUVGYJTYLDWKMS-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1 ZINC000000193683 563988222 /nfs/dbraw/zinc/98/82/22/563988222.db2.gz ROWPVUGDDLIIOA-UHFFFAOYSA-N 0 0 345.405 4.341 50 5 EIBARN O=C(Nc1cccc2cccnc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000308776 563990764 /nfs/dbraw/zinc/99/07/64/563990764.db2.gz DQZNVKGZCSWXPC-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1O ZINC000000304058 563990803 /nfs/dbraw/zinc/99/08/03/563990803.db2.gz BIAXXLJSMAIZHN-UHFFFAOYSA-N 0 0 334.331 4.220 50 5 EIBARN CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000349777 563991347 /nfs/dbraw/zinc/99/13/47/563991347.db2.gz KGGOFMCOHRYMOU-UHFFFAOYSA-N 0 0 341.344 4.231 50 5 EIBARN O=[N+]([O-])c1cccc(-c2nc(-c3cccc(Br)c3)no2)c1 ZINC000004866761 563992142 /nfs/dbraw/zinc/99/21/42/563992142.db2.gz HRYNNRLJSGQCOK-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN Cc1ccc(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004978700 563993530 /nfs/dbraw/zinc/99/35/30/563993530.db2.gz ASWMWLRMVGWNNE-UHFFFAOYSA-N 0 0 338.407 4.371 50 5 EIBARN CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004981623 563993618 /nfs/dbraw/zinc/99/36/18/563993618.db2.gz KJDVOEFQEGCCHA-UHFFFAOYSA-N 0 0 339.273 4.316 50 5 EIBARN O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 ZINC000004997245 563993677 /nfs/dbraw/zinc/99/36/77/563993677.db2.gz ADNXWSTVPWYKNA-UHFFFAOYSA-N 0 0 342.358 4.029 50 5 EIBARN CC(=O)Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000004998937 563993707 /nfs/dbraw/zinc/99/37/07/563993707.db2.gz CPRRJOZDWUMPMN-RMKNXTFCSA-N 0 0 334.331 4.239 50 5 EIBARN Nc1oc2c3ccccc3ccc2c(=O)c1-c1nc2ccccc2[nH]1 ZINC000005020380 563993797 /nfs/dbraw/zinc/99/37/97/563993797.db2.gz KMICTROTAQCLTE-UHFFFAOYSA-N 0 0 327.343 4.072 50 5 EIBARN Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005041367 563994007 /nfs/dbraw/zinc/99/40/07/563994007.db2.gz RHAHERDMJWHINZ-UHFFFAOYSA-N 0 0 335.816 4.043 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)cccc1Cl ZINC000000434612 563999291 /nfs/dbraw/zinc/99/92/91/563999291.db2.gz PYFMBSMPCUFNNU-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1cc(C(=O)Oc2ccc(Cl)c3cccnc23)ccc1[N+](=O)[O-] ZINC000000453493 564000152 /nfs/dbraw/zinc/00/01/52/564000152.db2.gz OFWWUARMAXVJMB-UHFFFAOYSA-N 0 0 342.738 4.324 50 5 EIBARN Cc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000000464838 564000781 /nfs/dbraw/zinc/00/07/81/564000781.db2.gz WBIXGDKLLJPONV-UHFFFAOYSA-N 0 0 346.386 4.423 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ccncc1 ZINC000045951119 564028974 /nfs/dbraw/zinc/02/89/74/564028974.db2.gz NCRUTQATRFIYTG-KRWDZBQOSA-N 0 0 340.383 4.139 50 5 EIBARN Cc1ccc(OCc2csc(-c3ccccn3)n2)c([N+](=O)[O-])c1 ZINC000025078099 564053195 /nfs/dbraw/zinc/05/31/95/564053195.db2.gz AWVYYBNKQCKUPJ-UHFFFAOYSA-N 0 0 327.365 4.001 50 5 EIBARN Cc1nn2c(=O)c3cc(-c4ccccc4)sc3nc2c2ccccc12 ZINC000001017596 564054041 /nfs/dbraw/zinc/05/40/41/564054041.db2.gz XAYRGLFYSBBMHA-UHFFFAOYSA-N 0 0 343.411 4.433 50 5 EIBARN CCSc1nnc(SCc2cccc([N+](=O)[O-])c2C)s1 ZINC000040122971 564057410 /nfs/dbraw/zinc/05/74/10/564057410.db2.gz QMHDXAZTZGFBKW-UHFFFAOYSA-N 0 0 327.456 4.159 50 5 EIBARN CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004071168 564061807 /nfs/dbraw/zinc/06/18/07/564061807.db2.gz LQDKPFXBPUNCAV-UHFFFAOYSA-N 0 0 344.367 4.035 50 5 EIBARN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000087034953 564062416 /nfs/dbraw/zinc/06/24/16/564062416.db2.gz KVJABHKWMQMXGE-SFHVURJKSA-N 0 0 342.370 4.030 50 5 EIBARN CN(Cc1ccc2ccccc2c1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000083864099 564063995 /nfs/dbraw/zinc/06/39/95/564063995.db2.gz NVMHJRNAKAREDW-UHFFFAOYSA-N 0 0 332.363 4.032 50 5 EIBARN Cc1cc(N[C@@H]2CCc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000084114679 564066672 /nfs/dbraw/zinc/06/66/72/564066672.db2.gz CJXXVZKISRYRSU-GOSISDBHSA-N 0 0 346.390 4.460 50 5 EIBARN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000006061294 564073299 /nfs/dbraw/zinc/07/32/99/564073299.db2.gz VJNBLDPGUQKOKT-ZDUSSCGKSA-N 0 0 336.347 4.154 50 5 EIBARN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl ZINC000006152733 564076864 /nfs/dbraw/zinc/07/68/64/564076864.db2.gz BRFDUSAPGNRVNA-UHFFFAOYSA-N 0 0 345.786 4.383 50 5 EIBARN CSc1nc2c(-c3ccc([N+](=O)[O-])cc3)nsc2c(Cl)n1 ZINC000575362696 564077352 /nfs/dbraw/zinc/07/73/52/564077352.db2.gz LFQRLDRMBBSTPL-UHFFFAOYSA-N 0 0 338.801 4.037 50 5 EIBARN O=[N+]([O-])c1ccc2[nH]c(Nc3nc4c(cccc4Cl)s3)nc2c1 ZINC000075260861 564081220 /nfs/dbraw/zinc/08/12/20/564081220.db2.gz GTPBWVBXVSKWFD-UHFFFAOYSA-N 0 0 345.771 4.478 50 5 EIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001599890 564081687 /nfs/dbraw/zinc/08/16/87/564081687.db2.gz SOJWEAJNHAWZTG-UHFFFAOYSA-N 0 0 341.106 4.041 50 5 EIBARN O=[N+]([O-])c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000001684207 564082223 /nfs/dbraw/zinc/08/22/23/564082223.db2.gz CGEDQIAIMQJXJN-UHFFFAOYSA-N 0 0 328.202 4.314 50 5 EIBARN O=C(NCCc1ccc(O)cc1)c1cc2ccccc2c2cccnc12 ZINC000065102531 564101150 /nfs/dbraw/zinc/10/11/50/564101150.db2.gz VIUVPHQLZVVALI-UHFFFAOYSA-N 0 0 342.398 4.066 50 5 EIBARN CCOc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000007122034 564105186 /nfs/dbraw/zinc/10/51/86/564105186.db2.gz SCVBXBXLUFPUCN-INIZCTEOSA-N 0 0 348.424 4.182 50 5 EIBARN O=[N+]([O-])c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000007168650 564105576 /nfs/dbraw/zinc/10/55/76/564105576.db2.gz OFRAXXOFEQYJEE-UHFFFAOYSA-N 0 0 330.340 4.436 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)nc2)c2ccncc21 ZINC000065584843 564107806 /nfs/dbraw/zinc/10/78/06/564107806.db2.gz GUVYNYMQLLPHTI-UHFFFAOYSA-N 0 0 349.394 4.272 50 5 EIBARN CSc1cccc(F)c1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000239782418 564107956 /nfs/dbraw/zinc/10/79/56/564107956.db2.gz COKBWWZPSNTRME-UHFFFAOYSA-N 0 0 334.372 4.325 50 5 EIBARN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1nc(C3CC3)cs1)CCC2 ZINC000193025164 564116319 /nfs/dbraw/zinc/11/63/19/564116319.db2.gz LSXAUENTVIYWMI-HNNXBMFYSA-N 0 0 329.425 4.096 50 5 EIBARN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000170633088 564116411 /nfs/dbraw/zinc/11/64/11/564116411.db2.gz DCZWMQDNCSIREO-MEBBXXQBSA-N 0 0 340.807 4.090 50 5 EIBARN Cc1cccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)c1 ZINC000017122502 564116497 /nfs/dbraw/zinc/11/64/97/564116497.db2.gz HWTNASHXWGUPEV-LNVKXUELSA-N 0 0 328.371 4.226 50 5 EIBARN O=C(Nc1cccc2cnccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000007655292 564121599 /nfs/dbraw/zinc/12/15/99/564121599.db2.gz DMBPMTDFXDDHFW-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN COc1ccc2c(c1[N+](=O)[O-])CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000017124457 564128988 /nfs/dbraw/zinc/12/89/88/564128988.db2.gz QDFCXLJPTBSDPF-PITQQHRWSA-N 0 0 329.396 4.029 50 5 EIBARN Cc1nn(C)c(Oc2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000078727391 564134534 /nfs/dbraw/zinc/13/45/34/564134534.db2.gz ZGPVECIDAQFBRO-UHFFFAOYSA-N 0 0 339.351 4.008 50 5 EIBARN Cc1ccccc1N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O ZINC000012289130 564135159 /nfs/dbraw/zinc/13/51/59/564135159.db2.gz IZQUYIAHZOQSRD-GDNBJRDFSA-N 0 0 340.360 4.144 50 5 EIBARN O=[N+]([O-])c1ncccc1Oc1ncnc2sc3c(c21)CCCCC3 ZINC000013055883 564135961 /nfs/dbraw/zinc/13/59/61/564135961.db2.gz ZKRLHFJXZCNOEN-UHFFFAOYSA-N 0 0 342.380 4.056 50 5 EIBARN Cc1c(CN[C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] ZINC000390833420 564138783 /nfs/dbraw/zinc/13/87/83/564138783.db2.gz HIAFLQLSNOAELT-SECBINFHSA-N 0 0 345.346 4.229 50 5 EIBARN Nc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc(F)ccc2F)cs1 ZINC000096003822 564144489 /nfs/dbraw/zinc/14/44/89/564144489.db2.gz MDIDREWCBKUCNO-UHFFFAOYSA-N 0 0 333.319 4.246 50 5 EIBARN CC(C)c1nnc(SCc2c(F)cccc2[N+](=O)[O-])n1C1CC1 ZINC000096404039 564147242 /nfs/dbraw/zinc/14/72/42/564147242.db2.gz UURSLRNBQIBAPF-UHFFFAOYSA-N 0 0 336.392 4.076 50 5 EIBARN CC(C)(C)OC(=O)n1cc(Br)c2cccc([N+](=O)[O-])c21 ZINC000002563801 564150883 /nfs/dbraw/zinc/15/08/83/564150883.db2.gz RHYXXCHHJCQANV-UHFFFAOYSA-N 0 0 341.161 4.095 50 5 EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2cccs2)on1 ZINC000002802597 564152755 /nfs/dbraw/zinc/15/27/55/564152755.db2.gz PAKDQRQIENYYBH-UHFFFAOYSA-N 0 0 349.755 4.217 50 5 EIBARN O=C(Oc1ccccc1)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000002862507 564152848 /nfs/dbraw/zinc/15/28/48/564152848.db2.gz QKRFVQYSZCMNEZ-UHFFFAOYSA-N 0 0 349.342 4.393 50 5 EIBARN O=[N+]([O-])c1cccc(-c2noc(COc3ccc4ccccc4c3)n2)c1 ZINC000002953126 564153744 /nfs/dbraw/zinc/15/37/44/564153744.db2.gz WHXCWRZEBZDMNB-UHFFFAOYSA-N 0 0 347.330 4.377 50 5 EIBARN Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])n1 ZINC000003119986 564155224 /nfs/dbraw/zinc/15/52/24/564155224.db2.gz WTRKIIZDCHXICQ-UHFFFAOYSA-N 0 0 343.217 4.018 50 5 EIBARN C[C@@H](Sc1nc2sccc2c(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000058345125 564158777 /nfs/dbraw/zinc/15/87/77/564158777.db2.gz JXWZXMAEAGLPKX-MRVPVSSYSA-N 0 0 332.410 4.035 50 5 EIBARN O=C(Nc1ccccc1F)c1cc2c(ccc3ccccc32)oc1=O ZINC000004075830 564160342 /nfs/dbraw/zinc/16/03/42/564160342.db2.gz YBFRETAORWIZEA-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c(C(F)(F)F)c1 ZINC000004115561 564160607 /nfs/dbraw/zinc/16/06/07/564160607.db2.gz BFRXEPDACBYGRZ-UHFFFAOYSA-N 0 0 327.218 4.265 50 5 EIBARN CC[C@@H](C)c1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000008128736 564162938 /nfs/dbraw/zinc/16/29/38/564162938.db2.gz CDSIVMRZGYMKRS-CYBMUJFWSA-N 0 0 327.384 4.159 50 5 EIBARN O=[N+]([O-])c1ccc([C@H]2NN=C(C34CC5CC(CC(C5)C3)C4)S2)cc1 ZINC000059378152 564177381 /nfs/dbraw/zinc/17/73/81/564177381.db2.gz UNDGXDDHBGMYOH-CYPWDGBBSA-N 0 0 343.452 4.460 50 5 EIBARN COC(=O)c1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000005130197 1025335697 /nfs/dbraw/zinc/33/56/97/1025335697.db2.gz FFXQYRUUICMEPB-RUDMXATFSA-N 0 0 340.360 4.162 50 5 EIBARN COc1ccc(CCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000004542182 210218094 /nfs/dbraw/zinc/21/80/94/210218094.db2.gz NOAVJAYTUDEMPP-UHFFFAOYSA-N 0 0 348.786 4.137 50 5 EIBARN C[C@@H]1CCCCN1C(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004542695 210217783 /nfs/dbraw/zinc/21/77/83/210217783.db2.gz AJJYHMXMDOUONT-CQSZACIVSA-N 0 0 342.395 4.188 50 5 EIBARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000012137659 201827666 /nfs/dbraw/zinc/82/76/66/201827666.db2.gz NYWASQNRIXXPBW-QGZVFWFLSA-N 0 0 328.368 4.008 50 5 EIBARN O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000013012531 201881877 /nfs/dbraw/zinc/88/18/77/201881877.db2.gz PJCZSYRAFHAVOE-UHFFFAOYSA-N 0 0 332.381 4.230 50 5 EIBARN O=[N+]([O-])c1ccc(CNN2[C@@H]3CCCC[C@@H]3C[C@H]3CCCC[C@@H]32)cc1 ZINC000019169395 202000101 /nfs/dbraw/zinc/00/01/01/202000101.db2.gz XVQZTFSRIZIHRA-LFGUQSLTSA-N 0 0 343.471 4.423 50 5 EIBARN Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)co2)cc1 ZINC000040116545 202171774 /nfs/dbraw/zinc/17/17/74/202171774.db2.gz KZSCNKWKMQBYKB-UHFFFAOYSA-N 0 0 328.299 4.276 50 5 EIBARN Cc1cc(C)n(-c2ccc(COc3cc(C)ccc3[N+](=O)[O-])cc2)n1 ZINC000031845066 202210639 /nfs/dbraw/zinc/21/06/39/202210639.db2.gz KFDGGFYRUYBOKI-UHFFFAOYSA-N 0 0 337.379 4.285 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000032969723 202245346 /nfs/dbraw/zinc/24/53/46/202245346.db2.gz FUNBDCQKSTYMKF-QPEQYQDCSA-N 0 0 346.389 4.492 50 5 EIBARN COc1cc(/C=C\c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000033474281 202262880 /nfs/dbraw/zinc/26/28/80/202262880.db2.gz HOEHIZLXKVARHG-FPLPWBNLSA-N 0 0 342.376 4.392 50 5 EIBARN Cc1c(C(=O)Nc2cccnc2Oc2ccccc2)cccc1[N+](=O)[O-] ZINC000036761081 202330843 /nfs/dbraw/zinc/33/08/43/202330843.db2.gz OZJCUAHWWAFHKY-UHFFFAOYSA-N 0 0 349.346 4.343 50 5 EIBARN Cc1c2cc(F)ccc2oc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000024202046 212413553 /nfs/dbraw/zinc/41/35/53/212413553.db2.gz YPPBGVRKMNWTPR-UHFFFAOYSA-N 0 0 329.283 4.146 50 5 EIBARN Cc1ccc(-c2nn3c(nc4ccccc4c3=O)c3ccccc32)cc1 ZINC000000091447 201433548 /nfs/dbraw/zinc/43/35/48/201433548.db2.gz MDKIKYXPIIGINV-UHFFFAOYSA-N 0 0 337.382 4.371 50 5 EIBARN Cc1c(Cl)cccc1N1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000180787 201445695 /nfs/dbraw/zinc/44/56/95/201445695.db2.gz LXORDLJYNNLTDD-MRXNPFEDSA-N 0 0 348.811 4.335 50 5 EIBARN CCc1ccc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)nc1 ZINC000000242087 201452989 /nfs/dbraw/zinc/45/29/89/201452989.db2.gz DTZORDSSQDXTHO-UHFFFAOYSA-N 0 0 347.374 4.472 50 5 EIBARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000000569616 201488237 /nfs/dbraw/zinc/48/82/37/201488237.db2.gz YXKXHGQWYNXLGM-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 aggregator EIBARN Cc1ccc2cccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2n1 ZINC000003603886 201578773 /nfs/dbraw/zinc/57/87/73/201578773.db2.gz WATRUCJQTBCQEB-UHFFFAOYSA-N 0 0 342.738 4.324 50 5 EIBARN O=C(CCSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004740509 201615457 /nfs/dbraw/zinc/61/54/57/201615457.db2.gz YTDKPGXMGVVNOH-UHFFFAOYSA-N 0 0 336.800 4.369 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2c1C(=O)c1ccccc1-2 ZINC000004745156 201616718 /nfs/dbraw/zinc/61/67/18/201616718.db2.gz VCDSDZMZMOPOKF-UHFFFAOYSA-N 0 0 344.326 4.059 50 5 EIBARN CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005525328 201654692 /nfs/dbraw/zinc/65/46/92/201654692.db2.gz CGKPDHLBRGFAQR-UHFFFAOYSA-N 0 0 325.151 4.178 50 5 EIBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C(C)C)cc1 ZINC000006509099 201683056 /nfs/dbraw/zinc/68/30/56/201683056.db2.gz KRWKQHMXIWNFAT-JXMROGBWSA-N 0 0 340.379 4.460 50 5 EIBARN CCC[C@H](c1ccccn1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000069700703 203037977 /nfs/dbraw/zinc/03/79/77/203037977.db2.gz BKWNNTQBOFFSDL-QGZVFWFLSA-N 0 0 342.399 4.303 50 5 EIBARN CCc1ccccc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000069707754 203041151 /nfs/dbraw/zinc/04/11/51/203041151.db2.gz NXKIQUDAPWNFRP-UHFFFAOYSA-N 0 0 346.408 4.140 50 5 EIBARN O=[N+]([O-])c1ccccc1CNc1ncnc2sc3c(c21)CCCC3 ZINC000071811101 203117732 /nfs/dbraw/zinc/11/77/32/203117732.db2.gz LWSXXLPFYWTODP-UHFFFAOYSA-N 0 0 340.408 4.090 50 5 EIBARN Cc1cccc(Cl)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102849 206207825 /nfs/dbraw/zinc/20/78/25/206207825.db2.gz NHGJPTMMEJEPOP-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(Cl)cc2Cl)c1 ZINC000000120640 206208367 /nfs/dbraw/zinc/20/83/67/206208367.db2.gz NMLPFVZVRYDHPG-UHFFFAOYSA-N 0 0 342.134 4.481 50 5 EIBARN O=C(Nc1cccc2c1CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000000451730 206241681 /nfs/dbraw/zinc/24/16/81/206241681.db2.gz DEQSXHIQOSMESJ-UHFFFAOYSA-N 0 0 330.771 4.379 50 5 EIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000000465755 206241889 /nfs/dbraw/zinc/24/18/89/206241889.db2.gz ALZBFZLUJYPVDN-CMDGGOBGSA-N 0 0 347.168 4.009 50 5 EIBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC=C(c2ccccc2)CC1 ZINC000002166770 206364652 /nfs/dbraw/zinc/36/46/52/206364652.db2.gz JTVPVPVYNBUZJD-UHFFFAOYSA-N 0 0 342.782 4.178 50 5 EIBARN CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc32)CC1 ZINC000169677490 206554583 /nfs/dbraw/zinc/55/45/83/206554583.db2.gz LTESQFJZJKEXDH-UHFFFAOYSA-N 0 0 343.383 4.100 50 5 EIBARN O=[N+]([O-])c1cc(NCc2cccc(Br)c2)ccc1F ZINC000012569249 207176794 /nfs/dbraw/zinc/17/67/94/207176794.db2.gz WLGMFVIWJWQBJO-UHFFFAOYSA-N 0 0 325.137 4.109 50 5 EIBARN C[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)C1 ZINC000000072034 524105999 /nfs/dbraw/zinc/10/59/99/524105999.db2.gz ZUTWDTSXTCZXAM-AWEZNQCLSA-N 0 0 348.406 4.441 50 5 EIBARN O=[N+]([O-])c1c(SCc2ccc(Cl)cc2)nc2sccn21 ZINC000001395907 564064417 /nfs/dbraw/zinc/06/44/17/564064417.db2.gz YPARCXSUJZBOND-UHFFFAOYSA-N 0 0 325.802 4.250 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(F)cc1 ZINC000004322822 563644412 /nfs/dbraw/zinc/64/44/12/563644412.db2.gz ZKRPFPRQKJGHRA-UHFFFAOYSA-N 0 0 345.208 4.405 50 5 EIBARN Cc1ccc(C)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000004330831 563649697 /nfs/dbraw/zinc/64/96/97/563649697.db2.gz ZFMUUUAICKVAHY-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cccnc1 ZINC000013729472 563719432 /nfs/dbraw/zinc/71/94/32/563719432.db2.gz WEUAOEUWDLNCOO-UHFFFAOYSA-N 0 0 340.386 4.190 50 5 EIBARN Cc1sc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000032818792 563751998 /nfs/dbraw/zinc/75/19/98/563751998.db2.gz HIJYZQSSKRZLRW-UHFFFAOYSA-N 0 0 345.380 4.482 50 5 EIBARN O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccc(Cl)cc1 ZINC000004677323 563963697 /nfs/dbraw/zinc/96/36/97/563963697.db2.gz DNWQWLXTVMUDCH-UHFFFAOYSA-N 0 0 327.167 4.393 50 5 EIBARN CC1(C)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C=C(Cl)Cl ZINC000000041383 563968610 /nfs/dbraw/zinc/96/86/10/563968610.db2.gz JCJDOVRWIBXGDE-PWSUYJOCSA-N 0 0 329.183 4.125 50 5 EIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000000063824 563971616 /nfs/dbraw/zinc/97/16/16/563971616.db2.gz MSOYTFNWHUWWRR-RUDMXATFSA-N 0 0 347.168 4.009 50 5 EIBARN CC(C)(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccncc1 ZINC000000079240 563973703 /nfs/dbraw/zinc/97/37/03/563973703.db2.gz KZEAUFHWSQNACX-UHFFFAOYSA-N 0 0 331.397 4.133 50 5 EIBARN O=C(CSc1nc2cc(Cl)ccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000000119424 563986549 /nfs/dbraw/zinc/98/65/49/563986549.db2.gz POZHNEWWSAWFCU-UHFFFAOYSA-N 0 0 348.767 4.364 50 5 EIBARN Cc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000000133667 563986926 /nfs/dbraw/zinc/98/69/26/563986926.db2.gz VVXWKELZIZGETD-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN CC(=O)c1c(C)n(-c2ccc([N+](=O)[O-])cc2)nc1-c1cccs1 ZINC000000159272 563987357 /nfs/dbraw/zinc/98/73/57/563987357.db2.gz UTPIURKDPBXJMP-UHFFFAOYSA-N 0 0 327.365 4.020 50 5 EIBARN O=[N+]([O-])c1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1 ZINC000000189127 563987876 /nfs/dbraw/zinc/98/78/76/563987876.db2.gz GZIBORCCDHDQKS-UHFFFAOYSA-N 0 0 334.379 4.195 50 5 EIBARN CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000000181777 563987877 /nfs/dbraw/zinc/98/78/77/563987877.db2.gz LPFNHAAEUSZQSM-UHFFFAOYSA-N 0 0 338.363 4.421 50 5 EIBARN COc1ccccc1-n1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=S ZINC000000193557 563988082 /nfs/dbraw/zinc/98/80/82/563988082.db2.gz CMTMTLVIGYPLGJ-UHFFFAOYSA-N 0 0 327.365 4.119 50 5 EIBARN O=c1cc(-c2ccc3c(c2)OCCO3)oc2c3ccccc3ccc12 ZINC000000238468 563989056 /nfs/dbraw/zinc/98/90/56/563989056.db2.gz YHWDQRJSJMDJAY-UHFFFAOYSA-N 0 0 330.339 4.384 50 5 biogenic EIBARN CC(C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000244568 563989206 /nfs/dbraw/zinc/98/92/06/563989206.db2.gz PWDFSHBPJLXBJF-UHFFFAOYSA-N 0 0 347.754 4.044 50 5 EIBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl ZINC000000264254 563989899 /nfs/dbraw/zinc/98/98/99/563989899.db2.gz TZDVRRQFYUCPHN-UHFFFAOYSA-N 0 0 325.151 4.083 50 5 EIBARN Cc1cc(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])cc1C ZINC000004873541 563992191 /nfs/dbraw/zinc/99/21/91/563992191.db2.gz LUFGZKZZTCJAJJ-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004923477 563992562 /nfs/dbraw/zinc/99/25/62/563992562.db2.gz YANSFGIHDABDAT-UHFFFAOYSA-N 0 0 341.245 4.137 50 5 EIBARN Cc1c(C)c([N+](=O)[O-])ccc1NC(=O)c1cccc(Br)c1 ZINC000004950894 563993281 /nfs/dbraw/zinc/99/32/81/563993281.db2.gz YCNCSTDDEHMDIU-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)c(C)c1 ZINC000004994417 563993708 /nfs/dbraw/zinc/99/37/08/563993708.db2.gz KSKQHDYNFHWPLT-UHFFFAOYSA-N 0 0 338.323 4.412 50 5 EIBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033678060 563993781 /nfs/dbraw/zinc/99/37/81/563993781.db2.gz YKZXZEJENXSBAV-AGEOTTOMSA-N 0 0 340.354 4.115 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000005060276 563994080 /nfs/dbraw/zinc/99/40/80/563994080.db2.gz QHFXWKXVUYHTGX-UHFFFAOYSA-N 0 0 325.246 4.258 50 5 EIBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1 ZINC000024209961 563997990 /nfs/dbraw/zinc/99/79/90/563997990.db2.gz VLJHCTVNULFORW-UHFFFAOYSA-N 0 0 331.711 4.351 50 5 EIBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccccc1Cl ZINC000000211405 563999185 /nfs/dbraw/zinc/99/91/85/563999185.db2.gz GXYVQQTVRRPFKS-UHFFFAOYSA-N 0 0 333.774 4.158 50 5 EIBARN CN(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000000455337 563999701 /nfs/dbraw/zinc/99/97/01/563999701.db2.gz PZIAAKCLCNCARJ-UHFFFAOYSA-N 0 0 335.363 4.066 50 5 EIBARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000000464136 564000777 /nfs/dbraw/zinc/00/07/77/564000777.db2.gz BQOAGZUZRVRMSN-CYBMUJFWSA-N 0 0 328.368 4.126 50 5 EIBARN CC[C@H](C)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000464140 564000802 /nfs/dbraw/zinc/00/08/02/564000802.db2.gz GRMMCKJJJOGQSV-ZDUSSCGKSA-N 0 0 328.368 4.126 50 5 EIBARN O=C(Oc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000000471268 564006177 /nfs/dbraw/zinc/00/61/77/564006177.db2.gz AFBBKOJYICWJCS-UHFFFAOYSA-N 0 0 349.342 4.393 50 5 EIBARN O=[N+]([O-])c1cc(Br)c(-c2ccc(Br)cc2)o1 ZINC000000478425 564013183 /nfs/dbraw/zinc/01/31/83/564013183.db2.gz OBCHZVGNYCOLDO-UHFFFAOYSA-N 0 0 346.962 4.380 50 5 EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000000483005 564013919 /nfs/dbraw/zinc/01/39/19/564013919.db2.gz YLOZLHKOABKCSG-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1 ZINC000024376934 564016950 /nfs/dbraw/zinc/01/69/50/564016950.db2.gz RDKYOMJSRYMUMS-UHFFFAOYSA-N 0 0 328.368 4.116 50 5 EIBARN O=C(Nc1ccc2ncccc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000000530762 564021506 /nfs/dbraw/zinc/02/15/06/564021506.db2.gz ABPJONMTVDFJIO-UHFFFAOYSA-N 0 0 333.303 4.142 50 5 EIBARN O=c1oc2c(ccc3c2CN(c2ccc(F)cc2)CO3)c2ccccc12 ZINC000000534630 564022044 /nfs/dbraw/zinc/02/20/44/564022044.db2.gz MLFQAEADHCGSPU-UHFFFAOYSA-N 0 0 347.345 4.442 50 5 EIBARN O=[N+]([O-])c1cc(F)ccc1Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000048260795 564030301 /nfs/dbraw/zinc/03/03/01/564030301.db2.gz JMPOMTRAYRALNC-HNNXBMFYSA-N 0 0 332.331 4.035 50 5 EIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(Cl)c(Cl)c1 ZINC000000618300 564031841 /nfs/dbraw/zinc/03/18/41/564031841.db2.gz GRGZBTVLIQFQAO-UHFFFAOYSA-N 0 0 340.162 4.188 50 5 EIBARN O=C(Oc1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000000620287 564033159 /nfs/dbraw/zinc/03/31/59/564033159.db2.gz FMNDJYCGRODRGV-UHFFFAOYSA-N 0 0 331.755 4.346 50 5 EIBARN Cc1ccccc1O[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001064987 564054301 /nfs/dbraw/zinc/05/43/01/564054301.db2.gz LZOKFHHONXGYNG-GFCCVEGCSA-N 0 0 325.324 4.093 50 5 EIBARN Cc1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000003592150 564060025 /nfs/dbraw/zinc/06/00/25/564060025.db2.gz WVQBSUDSASTEPZ-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccncc3)c2c2ccccc12 ZINC000012610355 564060636 /nfs/dbraw/zinc/06/06/36/564060636.db2.gz NZCGCLGNWNFAKI-UHFFFAOYSA-N 0 0 341.292 4.157 50 5 EIBARN CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)nn1C(C)(C)C ZINC000084622464 564069178 /nfs/dbraw/zinc/06/91/78/564069178.db2.gz WPRIQDNNIZDHSG-UHFFFAOYSA-N 0 0 348.378 4.061 50 5 EIBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000012785242 564070263 /nfs/dbraw/zinc/07/02/63/564070263.db2.gz XXJBVLGYCVSNHP-UHFFFAOYSA-N 0 0 348.761 4.192 50 5 EIBARN COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000001501688 564074623 /nfs/dbraw/zinc/07/46/23/564074623.db2.gz CBUAUEMQRLZSRG-MDWZMJQESA-N 0 0 348.358 4.409 50 5 EIBARN CCc1ccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000006648334 564095282 /nfs/dbraw/zinc/09/52/82/564095282.db2.gz ZZDVICYIDLRIAY-GOSISDBHSA-N 0 0 341.411 4.065 50 5 EIBARN CCSc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000007684501 564121864 /nfs/dbraw/zinc/12/18/64/564121864.db2.gz XUSNFXCYSWIHQJ-UHFFFAOYSA-N 0 0 327.365 4.424 50 5 EIBARN Cc1oc(-c2ccccc2)nc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000390833132 564138756 /nfs/dbraw/zinc/13/87/56/564138756.db2.gz CNHMAPIHCCWTCV-ZDUSSCGKSA-N 0 0 337.379 4.409 50 5 EIBARN C[C@H](c1ccccn1)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000057265319 564153418 /nfs/dbraw/zinc/15/34/18/564153418.db2.gz SXOZMFDUELOASQ-LLVKDONJSA-N 0 0 345.786 4.009 50 5 EIBARN O=[N+]([O-])c1c(Oc2ccc(Oc3ccccn3)cc2)nc2ccccn21 ZINC000058393527 564158937 /nfs/dbraw/zinc/15/89/37/564158937.db2.gz GTRWTAXCXOSDTQ-UHFFFAOYSA-N 0 0 348.318 4.222 50 5 EIBARN O=[N+]([O-])c1c(NCCc2cccc3cccnc32)ccc2ncccc21 ZINC000058406467 564158976 /nfs/dbraw/zinc/15/89/76/564158976.db2.gz WDPBMJMJLKWPJJ-UHFFFAOYSA-N 0 0 344.374 4.346 50 5 EIBARN Cc1cccc(C(=O)N2CCCc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC000031925752 564160218 /nfs/dbraw/zinc/16/02/18/564160218.db2.gz NXRSTLZZTZGKCQ-UHFFFAOYSA-N 0 0 330.771 4.150 50 5 EIBARN O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004122594 564160743 /nfs/dbraw/zinc/16/07/43/564160743.db2.gz UKTIHLPJXKCWTA-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN CCC[C@@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008448641 564165338 /nfs/dbraw/zinc/16/53/38/564165338.db2.gz ZTBGDNACFJEPIL-KBXCAEBGSA-N 0 0 342.395 4.020 50 5 EIBARN O=[N+]([O-])c1ccccc1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000040086095 564167926 /nfs/dbraw/zinc/16/79/26/564167926.db2.gz HUQIJNFZLJYHSP-FQEVSTJZSA-N 0 0 333.391 4.002 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c(F)c1 ZINC000040153797 564168424 /nfs/dbraw/zinc/16/84/24/564168424.db2.gz FPFWCNZNPOBQKK-HNNXBMFYSA-N 0 0 332.331 4.035 50 5 EIBARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000008987540 564168461 /nfs/dbraw/zinc/16/84/61/564168461.db2.gz GEMCIBKWMRHWCL-SECBINFHSA-N 0 0 347.421 4.099 50 5 EIBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccccc2)cn1 ZINC000222130161 1053551424 /nfs/dbraw/zinc/55/14/24/1053551424.db2.gz JGHJWKAWNVQDTQ-JYRVWZFOSA-N 0 0 345.358 4.309 50 5 EIBARN Cc1ccc2cc(COc3cccnc3[N+](=O)[O-])c(Cl)nc2c1C ZINC000007045187 201710800 /nfs/dbraw/zinc/71/08/00/201710800.db2.gz OASOXOWFVUDIHZ-UHFFFAOYSA-N 0 0 343.770 4.387 50 5 EIBARN CCCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] ZINC000020897676 202057342 /nfs/dbraw/zinc/05/73/42/202057342.db2.gz QRWSWNUASIYKGJ-UHFFFAOYSA-N 0 0 338.367 4.442 50 5 EIBARN CCCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] ZINC000020897653 202057412 /nfs/dbraw/zinc/05/74/12/202057412.db2.gz ZVBGAMKNFSBSSE-UHFFFAOYSA-N 0 0 338.367 4.442 50 5 EIBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000025614429 202134245 /nfs/dbraw/zinc/13/42/45/202134245.db2.gz OFSRIRIIKQGFRO-UONOGXRCSA-N 0 0 344.436 4.295 50 5 EIBARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000040069856 202166427 /nfs/dbraw/zinc/16/64/27/202166427.db2.gz FPSLVTSUOSFGES-LLVKDONJSA-N 0 0 348.786 4.090 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccccc1Cl ZINC000040095712 202167741 /nfs/dbraw/zinc/16/77/41/202167741.db2.gz SDUUPDWRFRKOTQ-UHFFFAOYSA-N 0 0 333.775 4.221 50 5 EIBARN O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000030510779 202196029 /nfs/dbraw/zinc/19/60/29/202196029.db2.gz DFNPNKQIKJTNLY-UHFFFAOYSA-N 0 0 332.381 4.475 50 5 EIBARN CC[C@@H](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000032714763 202231524 /nfs/dbraw/zinc/23/15/24/202231524.db2.gz UJLCRPPJEKUJDI-FZKQIMNGSA-N 0 0 342.395 4.372 50 5 EIBARN Cc1ccnc(NC(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)c1 ZINC000032721857 202231578 /nfs/dbraw/zinc/23/15/78/202231578.db2.gz OEXQXSQNZPRUOS-UHFFFAOYSA-N 0 0 345.424 4.299 50 5 EIBARN O=C(Nc1cccnc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000032832619 202237811 /nfs/dbraw/zinc/23/78/11/202237811.db2.gz QDUCZJZMGBRCHV-UHFFFAOYSA-N 0 0 335.319 4.034 50 5 EIBARN Cc1c(C)n(-c2ccc(F)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000072434071 216229503 /nfs/dbraw/zinc/22/95/03/216229503.db2.gz GNAYWMOWCUQMQK-UHFFFAOYSA-N 0 0 346.745 4.308 50 5 EIBARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000048251 201426989 /nfs/dbraw/zinc/42/69/89/201426989.db2.gz HOELDDRHIADZNV-UHFFFAOYSA-N 0 0 342.395 4.353 50 5 EIBARN O=C(CCNc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000446432 201474496 /nfs/dbraw/zinc/47/44/96/201474496.db2.gz IMYQHIFMQONSLO-UHFFFAOYSA-N 0 0 338.285 4.299 50 5 EIBARN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000567022 201487804 /nfs/dbraw/zinc/48/78/04/201487804.db2.gz OBMZVKLPMZQXMU-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN O=C(CCNc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000446315 201474657 /nfs/dbraw/zinc/47/46/57/201474657.db2.gz KFCPVCCIYPGHHK-UHFFFAOYSA-N 0 0 349.184 4.042 50 5 EIBARN O=[N+]([O-])c1ccc(Oc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000001383135 201504720 /nfs/dbraw/zinc/50/47/20/201504720.db2.gz ZXBKVJZFPUSIKQ-UHFFFAOYSA-N 0 0 335.241 4.349 50 5 EIBARN CC1(C)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C=C(Cl)Cl ZINC000004016809 201586948 /nfs/dbraw/zinc/58/69/48/201586948.db2.gz VXOZEHBONIJFQO-PWSUYJOCSA-N 0 0 329.183 4.125 50 5 aggregator EIBARN CC(=O)Oc1cccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc21 ZINC000004845286 201622149 /nfs/dbraw/zinc/62/21/49/201622149.db2.gz HPRPCUWZXDRNJN-WEVVVXLNSA-N 0 0 334.331 4.239 50 5 EIBARN CCc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21 ZINC000005091781 201639017 /nfs/dbraw/zinc/63/90/17/201639017.db2.gz UVSPWISJXDWTBD-UHFFFAOYSA-N 0 0 338.323 4.357 50 5 EIBARN CCCOc1ccc(Cl)cc1CSc1[nH]c(C)nc1[N+](=O)[O-] ZINC000006355689 201679687 /nfs/dbraw/zinc/67/96/87/201679687.db2.gz LPRCVCOIBFGNQS-UHFFFAOYSA-N 0 0 341.820 4.361 50 5 EIBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccccc1F ZINC000006660502 201690104 /nfs/dbraw/zinc/69/01/04/201690104.db2.gz YNGLHCZQWBZADO-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN O=C(Nc1scnc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1 ZINC000069701645 203037950 /nfs/dbraw/zinc/03/79/50/203037950.db2.gz MQWDPTCCCYNIRI-UHFFFAOYSA-N 0 0 349.368 4.171 50 5 EIBARN O=[N+]([O-])c1c(NCc2ccc(-c3ccccc3)o2)nc2sccn21 ZINC000071811746 203117579 /nfs/dbraw/zinc/11/75/79/203117579.db2.gz FKXKEFMPSAILGG-UHFFFAOYSA-N 0 0 340.364 4.176 50 5 EIBARN Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000072313947 203199489 /nfs/dbraw/zinc/19/94/89/203199489.db2.gz SBHBKOSESKRJPD-QGZVFWFLSA-N 0 0 349.394 4.030 50 5 EIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000104045402 204095434 /nfs/dbraw/zinc/09/54/34/204095434.db2.gz XVKIFMLWIRTEFU-SNAWJCMRSA-N 0 0 349.686 4.235 50 5 EIBARN Cc1c(C(=O)Nc2ncc(-c3ccccc3)s2)cccc1[N+](=O)[O-] ZINC000047542819 204334363 /nfs/dbraw/zinc/33/43/63/204334363.db2.gz DKRAJOHQWASPJD-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000000276698 205427089 /nfs/dbraw/zinc/42/70/89/205427089.db2.gz DMFVMGZXXRQTFN-UHFFFAOYSA-N 0 0 338.319 4.116 50 5 EIBARN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155803531 206035557 /nfs/dbraw/zinc/03/55/57/206035557.db2.gz CJFJTUMONCFEMU-CHWSQXEVSA-N 0 0 330.432 4.267 50 5 EIBARN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155803637 206035835 /nfs/dbraw/zinc/03/58/35/206035835.db2.gz CJFJTUMONCFEMU-OLZOCXBDSA-N 0 0 330.432 4.267 50 5 EIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br ZINC000000102172 206208782 /nfs/dbraw/zinc/20/87/82/206208782.db2.gz BKVMUJUFNGBQQP-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN O=C(CSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000000365218 206235885 /nfs/dbraw/zinc/23/58/85/206235885.db2.gz HRAYTQQELHYCIO-UHFFFAOYSA-N 0 0 330.390 4.180 50 5 EIBARN Cc1c(Cl)cccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002746045 206413839 /nfs/dbraw/zinc/41/38/39/206413839.db2.gz JCEMTAAKAPJZEW-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1ccc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000012762449 207246364 /nfs/dbraw/zinc/24/63/64/207246364.db2.gz FFLUXIMGWKIISV-UHFFFAOYSA-N 0 0 344.798 4.079 50 5 EIBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(N3CCCCC3)n2)c1 ZINC000000524547 135651927 /nfs/dbraw/zinc/65/19/27/135651927.db2.gz CWWRPSKPVZPCQA-UHFFFAOYSA-N 0 0 334.379 4.195 50 5 EIBARN CC1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000000559753 135652855 /nfs/dbraw/zinc/65/28/55/135652855.db2.gz ZSHWQFZZKQDZFV-UHFFFAOYSA-N 0 0 339.395 4.083 50 5 EIBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000004895930 135667501 /nfs/dbraw/zinc/66/75/01/135667501.db2.gz ISJSPSLVVSOEIB-AWEZNQCLSA-N 0 0 339.395 4.083 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1cccs1 ZINC000006602318 526715449 /nfs/dbraw/zinc/71/54/49/526715449.db2.gz CQLPCPBPMPCPEO-UHFFFAOYSA-N 0 0 342.376 4.092 50 5 EIBARN CCN(Cc1csc(-c2ccco2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000097679536 563643784 /nfs/dbraw/zinc/64/37/84/563643784.db2.gz WPEFYEZEPCTCFE-UHFFFAOYSA-N 0 0 343.408 4.333 50 5 EIBARN Cc1ccc(Sc2cc(N3CCOCC3)c(C)cc2[N+](=O)[O-])cc1 ZINC000004347796 563662231 /nfs/dbraw/zinc/66/22/31/563662231.db2.gz DTEKDHKLWGMGIJ-UHFFFAOYSA-N 0 0 344.436 4.199 50 5 EIBARN CC(C)c1ccc(CNc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000013522615 563928114 /nfs/dbraw/zinc/92/81/14/563928114.db2.gz 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CCC1(CC)O[C@H]2c3cc([N+](=O)[O-])ccc3OCN2c2ccccc21 ZINC000000266380 563989969 /nfs/dbraw/zinc/98/99/69/563989969.db2.gz AIKNUYGZSSVZGN-SFHVURJKSA-N 0 0 340.379 4.495 50 5 EIBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc([N+](=O)[O-])c1 ZINC000000290826 563990230 /nfs/dbraw/zinc/99/02/30/563990230.db2.gz SBQNQDZCIAPCDR-UHFFFAOYSA-N 0 0 330.343 4.418 50 5 EIBARN CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000301763 563990826 /nfs/dbraw/zinc/99/08/26/563990826.db2.gz MSHYNCFWFLHCOL-BJMVGYQFSA-N 0 0 346.770 4.299 50 5 EIBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000311574 563990920 /nfs/dbraw/zinc/99/09/20/563990920.db2.gz UGOWBSLFCSAXHB-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000004975753 563993527 /nfs/dbraw/zinc/99/35/27/563993527.db2.gz FBUBFAGYUQCTSW-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CCCCNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000005064508 563994112 /nfs/dbraw/zinc/99/41/12/563994112.db2.gz 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O=C(Nc1cccc(-c2cnco2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000048241867 564030196 /nfs/dbraw/zinc/03/01/96/564030196.db2.gz KNUSEIJJMDHBAT-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000000611954 564031779 /nfs/dbraw/zinc/03/17/79/564031779.db2.gz OEWVWBJPXLTPGJ-UHFFFAOYSA-N 0 0 337.282 4.149 50 5 EIBARN Cc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c(C)c1 ZINC000000792759 564034346 /nfs/dbraw/zinc/03/43/46/564034346.db2.gz HEICNDBHIQNLGE-UHFFFAOYSA-N 0 0 346.342 4.165 50 5 EIBARN Cc1ccc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000000975134 564053783 /nfs/dbraw/zinc/05/37/83/564053783.db2.gz WOAOYPDMUDROIA-GDNBJRDFSA-N 0 0 340.360 4.144 50 5 EIBARN C[C@@H](Sc1nc2sccn2c1[N+](=O)[O-])c1c(F)cccc1F ZINC000063267118 564056867 /nfs/dbraw/zinc/05/68/67/564056867.db2.gz SWLOENOCWSNLFD-SSDOTTSWSA-N 0 0 341.364 4.436 50 5 EIBARN Cc1ccc(C(C)C)c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000005927780 564057035 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/nfs/dbraw/zinc/12/41/85/564124185.db2.gz UBKLOXIABITJKH-UHFFFAOYSA-N 0 0 327.365 4.471 50 5 EIBARN O=[N+]([O-])c1cc2ccc1CCc1ccc(c(Br)c1)CC2 ZINC000019799022 564129027 /nfs/dbraw/zinc/12/90/27/564129027.db2.gz NNKKEFXUKIEVQB-UHFFFAOYSA-N 0 0 332.197 4.241 50 5 EIBARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000007943178 564135360 /nfs/dbraw/zinc/13/53/60/564135360.db2.gz GGSJAWHZRKLVTJ-UHFFFAOYSA-N 0 0 348.358 4.350 50 5 EIBARN O=[N+]([O-])c1cnc(N[C@@H](CC2CCOCC2)c2ccccc2)s1 ZINC000225696461 564150326 /nfs/dbraw/zinc/15/03/26/564150326.db2.gz FGVWPMYXQIWINO-AWEZNQCLSA-N 0 0 333.413 4.021 50 5 EIBARN Cc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000002605040 564151129 /nfs/dbraw/zinc/15/11/29/564151129.db2.gz ONOBAIWGHJGYBF-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN CC[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000003125065 564155266 /nfs/dbraw/zinc/15/52/66/564155266.db2.gz YQYBZRJNPSCVTO-SJCJKPOMSA-N 0 0 329.352 4.040 50 5 EIBARN CSc1ccc(C(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000003553807 564158923 /nfs/dbraw/zinc/15/89/23/564158923.db2.gz ZPECTQASOKIHRF-UHFFFAOYSA-N 0 0 345.405 4.179 50 5 EIBARN O=C(OCc1nc2ccccc2s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003604065 564159180 /nfs/dbraw/zinc/15/91/80/564159180.db2.gz PVHMIKLAPYCKBV-UHFFFAOYSA-N 0 0 348.767 4.215 50 5 EIBARN O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004042147 564160189 /nfs/dbraw/zinc/16/01/89/564160189.db2.gz NKELUNGXAXHKEF-UHFFFAOYSA-N 0 0 334.759 4.046 50 5 EIBARN O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccncc1 ZINC000004066188 564160280 /nfs/dbraw/zinc/16/02/80/564160280.db2.gz YLBVPMKOBAXZEM-UHFFFAOYSA-N 0 0 336.303 4.001 50 5 EIBARN CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21 ZINC000008091841 564162663 /nfs/dbraw/zinc/16/26/63/564162663.db2.gz ARRJBPOTBVTALK-SFQUDFHCSA-N 0 0 346.342 4.372 50 5 EIBARN Cc1nc2sc3c(c2c(Oc2ccccc2[N+](=O)[O-])n1)CCC3 ZINC000008146697 564163176 /nfs/dbraw/zinc/16/31/76/564163176.db2.gz IOQLADIPAZRCDF-UHFFFAOYSA-N 0 0 327.365 4.189 50 5 EIBARN CCCOc1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008560935 564165730 /nfs/dbraw/zinc/16/57/30/564165730.db2.gz XIDWNHCLBGGTBT-UHFFFAOYSA-N 0 0 334.759 4.289 50 5 EIBARN O=[N+]([O-])c1ccccc1CNc1cccc2c1CN(c1ccccn1)C2 ZINC000378285534 564166282 /nfs/dbraw/zinc/16/62/82/564166282.db2.gz FYMIYDZNSFAYIF-UHFFFAOYSA-N 0 0 346.390 4.122 50 5 EIBARN Cc1c(C(=O)Nc2ccc3c4c(cccc42)CC3)cccc1[N+](=O)[O-] ZINC000000859027 1026403187 /nfs/dbraw/zinc/40/31/87/1026403187.db2.gz FWZVUHMEDUIYBX-UHFFFAOYSA-N 0 0 332.359 4.407 50 5 EIBARN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000033191658 1046684897 /nfs/dbraw/zinc/68/48/97/1046684897.db2.gz QVMMZHOXDDZNBG-YVFTVSHDSA-N 0 0 336.800 4.200 50 5 EIBARN Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1C ZINC000004699587 210252560 /nfs/dbraw/zinc/25/25/60/210252560.db2.gz QUAIJVNKBLIXJW-UHFFFAOYSA-N 0 0 348.786 4.191 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1-2 ZINC000004473240 210196687 /nfs/dbraw/zinc/19/66/87/210196687.db2.gz YTLJRPWXDOIRJT-UHFFFAOYSA-N 0 0 344.326 4.059 50 5 EIBARN CC(=O)Nc1cc(Sc2ccc(Cl)cc2)c(F)cc1[N+](=O)[O-] ZINC000004299992 210164203 /nfs/dbraw/zinc/16/42/03/210164203.db2.gz WJDVJZNBHYNRND-UHFFFAOYSA-N 0 0 340.763 4.497 50 5 EIBARN Cc1cccc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc21 ZINC000004072636 210112789 /nfs/dbraw/zinc/11/27/89/210112789.db2.gz VGXXLDDMCUVNJW-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN Cc1cccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004042302 210108119 /nfs/dbraw/zinc/10/81/19/210108119.db2.gz NMKCVGMGZRPCOC-UHFFFAOYSA-N 0 0 328.368 4.009 50 5 EIBARN Cc1cc(OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1C(C)C ZINC000004040477 210105652 /nfs/dbraw/zinc/10/56/52/210105652.db2.gz YGXUKDOOJWYQBX-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000003552849 210052934 /nfs/dbraw/zinc/05/29/34/210052934.db2.gz KPUMFTXEFGPPAF-SECBINFHSA-N 0 0 339.178 4.393 50 5 EIBARN CCC(C(=O)Nc1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F ZINC000003124621 209967108 /nfs/dbraw/zinc/96/71/08/209967108.db2.gz ISJLJLLIGUHQDW-UHFFFAOYSA-N 0 0 344.211 4.054 50 5 EIBARN CN(Cc1ccsc1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000067674016 215178891 /nfs/dbraw/zinc/17/88/91/215178891.db2.gz ZXFXUXDEEAYLGL-UHFFFAOYSA-N 0 0 348.427 4.015 50 5 EIBARN O=C(c1ccccc1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001074554 209708433 /nfs/dbraw/zinc/70/84/33/209708433.db2.gz OUANTAYJYXTLGG-UHFFFAOYSA-N 0 0 333.343 4.405 50 5 EIBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1[N+](=O)[O-] ZINC000000278972 209515472 /nfs/dbraw/zinc/51/54/72/209515472.db2.gz VFYSZQVUKHREJS-UHFFFAOYSA-N 0 0 330.343 4.418 50 5 EIBARN Cc1cccc(Cl)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000103112 209421906 /nfs/dbraw/zinc/42/19/06/209421906.db2.gz OWHRYQBZVSOAFT-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C1Oc2ccccc2[C@@]1(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000116093 209430453 /nfs/dbraw/zinc/43/04/53/209430453.db2.gz HHFBVLSDPSXXSU-OAQYLSRUSA-N 0 0 345.354 4.043 50 5 EIBARN CC(C)(C)OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000072211 209401976 /nfs/dbraw/zinc/40/19/76/209401976.db2.gz CSKGDJUOULHKRV-UHFFFAOYSA-N 0 0 337.319 4.047 50 5 EIBARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000060380 209394691 /nfs/dbraw/zinc/39/46/91/209394691.db2.gz CZOGVKLKDDAHCL-UHFFFAOYSA-N 0 0 349.342 4.393 50 5 EIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(Cl)=C/c1ccccc1 ZINC000000054702 209393198 /nfs/dbraw/zinc/39/31/98/209393198.db2.gz GBDLDZQJTYNWJC-JYRVWZFOSA-N 0 0 337.162 4.467 50 5 EIBARN CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000022806924 212326385 /nfs/dbraw/zinc/32/63/85/212326385.db2.gz DQFPIHUPSDJSNT-CYBMUJFWSA-N 0 0 336.189 4.316 50 5 EIBARN Cc1ccccc1-c1noc(-c2ccc(NC(C)C)c([N+](=O)[O-])c2)n1 ZINC000020897623 212183336 /nfs/dbraw/zinc/18/33/36/212183336.db2.gz XUKYVDXOQRDGST-UHFFFAOYSA-N 0 0 338.367 4.441 50 5 EIBARN O=[N+]([O-])c1cccc(F)c1CSc1nnc(Cc2ccccc2)o1 ZINC000078412143 217050118 /nfs/dbraw/zinc/05/01/18/217050118.db2.gz RDISVXJWQMBPDK-UHFFFAOYSA-N 0 0 345.355 4.000 50 5 EIBARN O=[N+]([O-])c1cnc(N[C@@H]2CCCc3ccccc32)c(Br)c1 ZINC000078995542 217169093 /nfs/dbraw/zinc/16/90/93/217169093.db2.gz ADWQXIACIZHTIL-CQSZACIVSA-N 0 0 348.200 4.242 50 5 EIBARN COc1cccc(NC(=O)c2cccc3nc4ccccc4nc32)c1 ZINC000012277017 211334044 /nfs/dbraw/zinc/33/40/44/211334044.db2.gz IJSFKBSDGVIMHB-UHFFFAOYSA-N 0 0 329.359 4.044 50 5 EIBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000011595192 211225541 /nfs/dbraw/zinc/22/55/41/211225541.db2.gz HEMYELKHBYMEPM-UHFFFAOYSA-N 0 0 335.363 4.189 50 5 EIBARN CCN(C(=O)c1cccc2nc3ccccc3nc21)c1ccccc1 ZINC000009171760 211048891 /nfs/dbraw/zinc/04/88/91/211048891.db2.gz XEAFPXNZDQKISW-UHFFFAOYSA-N 0 0 327.387 4.450 50 5 EIBARN Cc1c2ccccc2oc1[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000095356836 218290326 /nfs/dbraw/zinc/29/03/26/218290326.db2.gz AMKVAQQNMCUSEN-GFCCVEGCSA-N 0 0 336.351 4.470 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc2c(c1)OCO2 ZINC000005688334 210518039 /nfs/dbraw/zinc/51/80/39/210518039.db2.gz ZGWCZWHKPZIMKC-UHFFFAOYSA-N 0 0 326.230 4.086 50 5 EIBARN CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000005093664 210387650 /nfs/dbraw/zinc/38/76/50/210387650.db2.gz QZPMFICEAMRXEH-UHFFFAOYSA-N 0 0 334.759 4.208 50 5 EIBARN O=[N+]([O-])c1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1 ZINC000005072387 210385280 /nfs/dbraw/zinc/38/52/80/210385280.db2.gz UBKYJQGCYLXTET-UHFFFAOYSA-N 0 0 342.358 4.094 50 5 EIBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000005132019 210396808 /nfs/dbraw/zinc/39/68/08/210396808.db2.gz NUEIBJKMZWKBCE-UHFFFAOYSA-N 0 0 337.335 4.119 50 5 EIBARN Cc1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004841454 210296591 /nfs/dbraw/zinc/29/65/91/210296591.db2.gz OPBZAEPHVKPYTE-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN C[C@H]1C[C@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000004833892 210292023 /nfs/dbraw/zinc/29/20/23/210292023.db2.gz XXFBVGMMIROTHC-RYUDHWBXSA-N 0 0 330.384 4.328 50 5 EIBARN Cc1cc(Br)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000000465871 258048600 /nfs/dbraw/zinc/04/86/00/258048600.db2.gz CPKHYEOICHEYFK-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN O=C(c1ccc(F)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000039982737 258059457 /nfs/dbraw/zinc/05/94/57/258059457.db2.gz OGJFGGWWQJXZFY-UHFFFAOYSA-N 0 0 338.294 4.152 50 5 EIBARN C[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)C1 ZINC000000072039 524248647 /nfs/dbraw/zinc/24/86/47/524248647.db2.gz ZUTWDTSXTCZXAM-CQSZACIVSA-N 0 0 348.406 4.441 50 5 EIBARN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCCC3 ZINC000000316037 563282748 /nfs/dbraw/zinc/28/27/48/563282748.db2.gz JMVPNSYAXYQBMG-UHFFFAOYSA-N 0 0 342.376 4.094 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000059949798 563739343 /nfs/dbraw/zinc/73/93/43/563739343.db2.gz YQYLTHUCGQWRBQ-UHFFFAOYSA-N 0 0 349.793 4.468 50 5 EIBARN Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000004668163 563963527 /nfs/dbraw/zinc/96/35/27/563963527.db2.gz FRXFWVGEKZGECZ-UHFFFAOYSA-N 0 0 339.395 4.146 50 5 EIBARN O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004701850 563965348 /nfs/dbraw/zinc/96/53/48/563965348.db2.gz SRDFYYFRZQAXEJ-UHFFFAOYSA-N 0 0 344.798 4.470 50 5 EIBARN CC(C)c1nc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2o1 ZINC000033216441 563965826 /nfs/dbraw/zinc/96/58/26/563965826.db2.gz KHJQLSUJARUYKX-UHFFFAOYSA-N 0 0 339.351 4.041 50 5 EIBARN CC(=O)c1c[nH]c(C(=O)OCc2nc3ccccc3c3ccccc23)c1 ZINC000018610732 563967326 /nfs/dbraw/zinc/96/73/26/563967326.db2.gz HWOWYIMDZFQYIP-UHFFFAOYSA-N 0 0 344.370 4.276 50 5 EIBARN CN(Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000032723 563967488 /nfs/dbraw/zinc/96/74/88/563967488.db2.gz IDLXCLSMWNHOJJ-UHFFFAOYSA-N 0 0 325.393 4.355 50 5 EIBARN COc1ccc(CSc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000000032899 563967521 /nfs/dbraw/zinc/96/75/21/563967521.db2.gz KZAZOCVOZMWDCB-UHFFFAOYSA-N 0 0 326.377 4.444 50 5 EIBARN Nc1ccc(S[C@@H](C[N+](=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000000070229 563973750 /nfs/dbraw/zinc/97/37/50/563973750.db2.gz MFKKSQGUUWTDIE-AWEZNQCLSA-N 0 0 342.342 4.398 50 5 EIBARN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000103334 563982147 /nfs/dbraw/zinc/98/21/47/563982147.db2.gz AFBAGNAURTYVJS-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000122499 563986823 /nfs/dbraw/zinc/98/68/23/563986823.db2.gz QXKIVLXKPHLZOH-UHFFFAOYSA-N 0 0 326.135 4.429 50 5 EIBARN COc1cccc(-c2cn3c(n2)sc2cc([N+](=O)[O-])ccc23)c1 ZINC000000151499 563987432 /nfs/dbraw/zinc/98/74/32/563987432.db2.gz WMOKYWDJCBIJGH-UHFFFAOYSA-N 0 0 325.349 4.133 50 5 EIBARN O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000224311 563988802 /nfs/dbraw/zinc/98/88/02/563988802.db2.gz NLFHDAWGSMIYBF-UHFFFAOYSA-N 0 0 330.771 4.379 50 5 EIBARN COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000000283615 563990270 /nfs/dbraw/zinc/99/02/70/563990270.db2.gz DZQOIWAYOUNVKQ-CYBMUJFWSA-N 0 0 340.379 4.049 50 5 EIBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)CC1 ZINC000004983460 563993576 /nfs/dbraw/zinc/99/35/76/563993576.db2.gz KQQKBVRWESZTPJ-UHFFFAOYSA-N 0 0 339.395 4.083 50 5 EIBARN O=C(NCCCOC1CCCC1)c1cc2ccccc2c2cccnc12 ZINC000061255412 563993769 /nfs/dbraw/zinc/99/37/69/563993769.db2.gz MLTYYYZISZHQAQ-UHFFFAOYSA-N 0 0 348.446 4.467 50 5 EIBARN Cc1cc(NC(=O)c2ccc(F)cc2)nc2c3ccccc3oc(=O)c12 ZINC000000428474 563998875 /nfs/dbraw/zinc/99/88/75/563998875.db2.gz HNXUMZFIAOOPJI-UHFFFAOYSA-N 0 0 348.333 4.041 50 5 EIBARN O=C(CCNc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000000446462 563999573 /nfs/dbraw/zinc/99/95/73/563999573.db2.gz IGBKQQXPVKLLDD-UHFFFAOYSA-N 0 0 338.285 4.299 50 5 EIBARN O=C(CCSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000460328 564000731 /nfs/dbraw/zinc/00/07/31/564000731.db2.gz PTWRWCYKKKEPMD-UHFFFAOYSA-N 0 0 336.800 4.369 50 5 EIBARN O=C(CSCc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000000468882 564000819 /nfs/dbraw/zinc/00/08/19/564000819.db2.gz YACNJVFNWSZENS-UHFFFAOYSA-N 0 0 336.800 4.120 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)c1ccccc1 ZINC000062582608 564006559 /nfs/dbraw/zinc/00/65/59/564006559.db2.gz QCAIVTBFCGIHBK-UHFFFAOYSA-N 0 0 346.386 4.484 50 5 EIBARN O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000000501880 564019087 /nfs/dbraw/zinc/01/90/87/564019087.db2.gz HTZKMBRLVQCLKR-UHFFFAOYSA-N 0 0 337.331 4.439 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000000557455 564022847 /nfs/dbraw/zinc/02/28/47/564022847.db2.gz LCVCUTFYYYWGCB-UHFFFAOYSA-N 0 0 341.411 4.310 50 5 EIBARN Cc1c(NC(=O)COc2ccccc2C(C)C)cccc1[N+](=O)[O-] ZINC000000587201 564024573 /nfs/dbraw/zinc/02/45/73/564024573.db2.gz DNTDITYPXTXCQO-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN Cc1c(F)cc(C(=O)N[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000046896484 564025475 /nfs/dbraw/zinc/02/54/75/564025475.db2.gz LHIPPENVQGCFFE-JTQLQIEISA-N 0 0 336.750 4.187 50 5 EIBARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000046018439 564029265 /nfs/dbraw/zinc/02/92/65/564029265.db2.gz CASFFELAOIRTQX-INIZCTEOSA-N 0 0 325.368 4.272 50 5 EIBARN O=[N+]([O-])c1ccc(Oc2nn3cc(-c4ccccc4)nc3s2)cc1 ZINC000048300178 564030846 /nfs/dbraw/zinc/03/08/46/564030846.db2.gz NSMVXYUDCGNVIZ-UHFFFAOYSA-N 0 0 338.348 4.158 50 5 EIBARN CC(C)CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000048332795 564031099 /nfs/dbraw/zinc/03/10/99/564031099.db2.gz BJMNEMGJRZFUEB-UHFFFAOYSA-N 0 0 325.796 4.291 50 5 EIBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1 ZINC000024684719 564033282 /nfs/dbraw/zinc/03/32/82/564033282.db2.gz KLUVCBSBEDVRGV-UHFFFAOYSA-N 0 0 349.342 4.393 50 5 EIBARN Cc1nn(-c2ccccc2)c(Cl)c1CNc1cccc([N+](=O)[O-])c1 ZINC000007339815 564034302 /nfs/dbraw/zinc/03/43/02/564034302.db2.gz OYNFITNGMKIZMW-UHFFFAOYSA-N 0 0 342.786 4.354 50 5 EIBARN Cc1cccc(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000000975303 564053755 /nfs/dbraw/zinc/05/37/55/564053755.db2.gz RKWUUHMDFUIQIA-GDNBJRDFSA-N 0 0 340.360 4.144 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H]1c1cccnc1 ZINC000012563692 564059674 /nfs/dbraw/zinc/05/96/74/564059674.db2.gz FUGREYLWYKYWON-CYBMUJFWSA-N 0 0 337.301 4.350 50 5 EIBARN CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 ZINC000012688483 564062643 /nfs/dbraw/zinc/06/26/43/564062643.db2.gz RZGAKMWKCAPQGB-LLVKDONJSA-N 0 0 344.396 4.320 50 5 EIBARN CC(C)(C)NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000001386997 564063979 /nfs/dbraw/zinc/06/39/79/564063979.db2.gz HQMUXLRASKQXRC-UHFFFAOYSA-N 0 0 330.409 4.274 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cc2cccc3ccccc32)nc1 ZINC000084598390 564068970 /nfs/dbraw/zinc/06/89/70/564068970.db2.gz XENXTWMERPFJNU-QGZVFWFLSA-N 0 0 333.391 4.355 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2c(F)cccc21 ZINC000012775641 564069315 /nfs/dbraw/zinc/06/93/15/564069315.db2.gz MFYNJZWJJFTTEZ-AWEZNQCLSA-N 0 0 347.371 4.093 50 5 EIBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2cc(F)ccc2s1 ZINC000012916959 564078077 /nfs/dbraw/zinc/07/80/77/564078077.db2.gz GULBSJPFBMALCY-UHFFFAOYSA-N 0 0 331.324 4.306 50 5 EIBARN CCOC(=O)c1oc2ccccc2c1COc1ccc([N+](=O)[O-])cc1 ZINC000007168463 564105548 /nfs/dbraw/zinc/10/55/48/564105548.db2.gz PFJOOFDPSFCJRF-UHFFFAOYSA-N 0 0 341.319 4.097 50 5 EIBARN CC[C@H](C)N(C(=S)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CC ZINC000017071135 564116308 /nfs/dbraw/zinc/11/63/08/564116308.db2.gz CEEORMKDHNWNLI-RYUDHWBXSA-N 0 0 339.461 4.199 50 5 EIBARN O=C(C[C@@H](c1ccccc1)[C@@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000002258881 564125364 /nfs/dbraw/zinc/12/53/64/564125364.db2.gz XNDSARCVLSJXDS-ROUUACIJSA-N 0 0 337.375 4.321 50 5 EIBARN O=[N+]([O-])c1cc(Br)c(F)c(F)c1NC1CCCCC1 ZINC000082046486 564135516 /nfs/dbraw/zinc/13/55/16/564135516.db2.gz IOWVSUZCYPHGOP-UHFFFAOYSA-N 0 0 335.148 4.380 50 5 EIBARN CN(Cc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012804250 564135611 /nfs/dbraw/zinc/13/56/11/564135611.db2.gz ORWAXJYPAFZRCV-UHFFFAOYSA-N 0 0 345.708 4.298 50 5 EIBARN O=C(Nc1cccc(O)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000096361329 564146909 /nfs/dbraw/zinc/14/69/09/564146909.db2.gz RLCVEDDXIUINMA-UHFFFAOYSA-N 0 0 349.346 4.296 50 5 EIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000096404454 564147273 /nfs/dbraw/zinc/14/72/73/564147273.db2.gz BJNHSNZCDJWPDS-CQSZACIVSA-N 0 0 337.379 4.443 50 5 EIBARN O=[N+]([O-])c1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000002628162 564151406 /nfs/dbraw/zinc/15/14/06/564151406.db2.gz SWZJRQOXHPXDTC-UHFFFAOYSA-N 0 0 332.406 4.376 50 5 EIBARN Cc1ccc(C(C)C)c(OCCOc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000002879451 564152866 /nfs/dbraw/zinc/15/28/66/564152866.db2.gz LYVZCKUTFDDUEU-UHFFFAOYSA-N 0 0 343.379 4.297 50 5 EIBARN CCc1ccc2occ(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 ZINC000002875477 564152891 /nfs/dbraw/zinc/15/28/91/564152891.db2.gz UEONBZVUSRNWGF-UHFFFAOYSA-N 0 0 338.363 4.393 50 5 EIBARN O=[N+]([O-])c1ccc(-c2cnnn2-c2cc(Cl)ccc2Cl)cc1 ZINC000003172624 564155649 /nfs/dbraw/zinc/15/56/49/564155649.db2.gz VSINQWCSLRFXFX-UHFFFAOYSA-N 0 0 335.150 4.149 50 5 EIBARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000030317237 564155881 /nfs/dbraw/zinc/15/58/81/564155881.db2.gz HNABSXQSCINLKW-MRVPVSSYSA-N 0 0 343.166 4.328 50 5 EIBARN Cc1cc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)c(C)o1 ZINC000058202204 564158083 /nfs/dbraw/zinc/15/80/83/564158083.db2.gz TXJOKRQYNDELAR-UHFFFAOYSA-N 0 0 343.364 4.180 50 5 EIBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000008062430 564162464 /nfs/dbraw/zinc/16/24/64/564162464.db2.gz PESBWSNHSSZLDS-SNVBAGLBSA-N 0 0 344.754 4.485 50 5 EIBARN O=c1c2ccccc2oc2cc(OCc3ccccc3F)cc(O)c12 ZINC000008515540 564165530 /nfs/dbraw/zinc/16/55/30/564165530.db2.gz IUPPEHWDVVGVOA-UHFFFAOYSA-N 0 0 336.318 4.370 50 5 biogenic EIBARN O=c1c2ccccc2oc2cc(OCc3cccc(F)c3)cc(O)c12 ZINC000008519997 564165566 /nfs/dbraw/zinc/16/55/66/564165566.db2.gz RJEJETBPHOQVPS-UHFFFAOYSA-N 0 0 336.318 4.370 50 5 EIBARN CC(=Cc1ccc([N+](=O)[O-])cc1F)c1nc(=O)c2ccsc2[nH]1 ZINC000349223100 1036097627 /nfs/dbraw/zinc/09/76/27/1036097627.db2.gz JEQIUSJHQUGMQE-SOFGYWHQSA-N 0 0 331.328 4.005 50 5 EIBARN Cc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004677877 210245099 /nfs/dbraw/zinc/24/50/99/210245099.db2.gz OLAUTVDFOKFZAQ-UHFFFAOYSA-N 0 0 339.395 4.064 50 5 EIBARN CCc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004668192 210241521 /nfs/dbraw/zinc/24/15/21/210241521.db2.gz WVQQBDFPOATSAN-UHFFFAOYSA-N 0 0 339.395 4.010 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1 ZINC000004620025 210233649 /nfs/dbraw/zinc/23/36/49/210233649.db2.gz DUMAFIRAMXVMFL-UHFFFAOYSA-N 0 0 327.218 4.265 50 5 EIBARN Cc1cccc(Nc2ncnc(Nc3cccc(C)c3)c2[N+](=O)[O-])c1 ZINC000004608110 210230887 /nfs/dbraw/zinc/23/08/87/210230887.db2.gz LUXVJESFCLSRJU-UHFFFAOYSA-N 0 0 335.367 4.489 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c2ccccc2nc2c1CCCC2 ZINC000004542247 210217507 /nfs/dbraw/zinc/21/75/07/210217507.db2.gz NYJXGEIOLFDHTA-UHFFFAOYSA-N 0 0 347.374 4.274 50 5 EIBARN O=C(c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004180001 210139316 /nfs/dbraw/zinc/13/93/16/210139316.db2.gz BTXFDRRJZKAPQG-UHFFFAOYSA-N 0 0 332.359 4.442 50 5 EIBARN CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000065947329 215001081 /nfs/dbraw/zinc/00/10/81/215001081.db2.gz VKOQEJSXFFMIGX-LLVKDONJSA-N 0 0 328.347 4.277 50 5 EIBARN CCc1ccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004041913 210105545 /nfs/dbraw/zinc/10/55/45/210105545.db2.gz XGLPDFQSDIVYFY-UHFFFAOYSA-N 0 0 342.395 4.263 50 5 EIBARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000003958846 210096067 /nfs/dbraw/zinc/09/60/67/210096067.db2.gz JTADBJGWMHVKKM-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN O=c1cc(CSc2nncs2)c2c(ccc3ccccc32)o1 ZINC000003413104 210031994 /nfs/dbraw/zinc/03/19/94/210031994.db2.gz NFIGAAKRHGEVNM-UHFFFAOYSA-N 0 0 326.402 4.090 50 5 EIBARN COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(C)C ZINC000002838981 209925679 /nfs/dbraw/zinc/92/56/79/209925679.db2.gz VNNPPEXZVLYATP-UHFFFAOYSA-N 0 0 328.368 4.288 50 5 EIBARN CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002779965 209911376 /nfs/dbraw/zinc/91/13/76/209911376.db2.gz BAGBPEKPSGUEHW-UHFFFAOYSA-N 0 0 343.339 4.098 50 5 EIBARN COc1ccc2oc(C)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC000041156487 213427807 /nfs/dbraw/zinc/42/78/07/213427807.db2.gz VQGRHRPASUQJKC-UHFFFAOYSA-N 0 0 340.335 4.219 50 5 EIBARN O=C(CCCOc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001773670 209790880 /nfs/dbraw/zinc/79/08/80/209790880.db2.gz UVOFFHUUDUDYEO-UHFFFAOYSA-N 0 0 334.759 4.046 50 5 EIBARN O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000001532140 209756775 /nfs/dbraw/zinc/75/67/75/209756775.db2.gz HHMCAJWVGYGUEF-UHFFFAOYSA-N 0 0 328.202 4.314 50 5 in-vitro EIBARN O=c1cc(CNc2cccc(CO)c2)c2c(ccc3ccccc32)o1 ZINC000072120231 216013428 /nfs/dbraw/zinc/01/34/28/216013428.db2.gz AYYUJCSWTNDJEB-UHFFFAOYSA-N 0 0 331.371 4.051 50 5 EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1Cl ZINC000000318600 209533846 /nfs/dbraw/zinc/53/38/46/209533846.db2.gz ZRRLRMAHNLNXBA-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN Cc1cc(Cl)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000122501 209435769 /nfs/dbraw/zinc/43/57/69/209435769.db2.gz QKIUKEZXAWEKBO-UHFFFAOYSA-N 0 0 326.135 4.429 50 5 EIBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Br ZINC000000073351 209401839 /nfs/dbraw/zinc/40/18/39/209401839.db2.gz DEFDUEVYUFNGGT-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000000090653 209413619 /nfs/dbraw/zinc/41/36/19/209413619.db2.gz ZIPKZLCNCFKTGJ-UHFFFAOYSA-N 0 0 345.660 4.486 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1cccc(Cl)c1 ZINC000000068897 209399522 /nfs/dbraw/zinc/39/95/22/209399522.db2.gz NRLQQVYHXVOSAP-INIZCTEOSA-N 0 0 348.811 4.136 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1cccc(Cl)c1 ZINC000000068901 209399136 /nfs/dbraw/zinc/39/91/36/209399136.db2.gz NRLQQVYHXVOSAP-MRXNPFEDSA-N 0 0 348.811 4.136 50 5 EIBARN O=[N+]([O-])c1cccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1 ZINC000004723223 541328714 /nfs/dbraw/zinc/32/87/14/541328714.db2.gz HUADSARCUKXFEF-UHFFFAOYSA-N 0 0 325.368 4.113 50 5 EIBARN CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000022806929 212326431 /nfs/dbraw/zinc/32/64/31/212326431.db2.gz DQFPIHUPSDJSNT-ZDUSSCGKSA-N 0 0 336.189 4.316 50 5 EIBARN CCc1noc(-c2ccc(NCc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000020897999 212183728 /nfs/dbraw/zinc/18/37/28/212183728.db2.gz ZEXLEAWKVBROAB-UHFFFAOYSA-N 0 0 338.367 4.128 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2ccccc2)CCC1 ZINC000050040598 214041659 /nfs/dbraw/zinc/04/16/59/214041659.db2.gz KQZIMGUPQOBQIK-UHFFFAOYSA-N 0 0 325.368 4.104 50 5 EIBARN Cc1ccc(-c2nc(CCNc3cccc(F)c3[N+](=O)[O-])co2)cc1 ZINC000078727515 217110141 /nfs/dbraw/zinc/11/01/41/217110141.db2.gz OCGJTNRXSFLCIB-UHFFFAOYSA-N 0 0 341.342 4.352 50 5 EIBARN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000015583783 211832577 /nfs/dbraw/zinc/83/25/77/211832577.db2.gz XSCGEVIBCBMZSD-UHFFFAOYSA-N 0 0 342.376 4.403 50 5 EIBARN Cc1ccc(CN(Cc2ccco2)c2ccc([N+](=O)[O-])cn2)s1 ZINC000084205470 217585942 /nfs/dbraw/zinc/58/59/42/217585942.db2.gz WZIOTKQFFHEWFS-UHFFFAOYSA-N 0 0 329.381 4.160 50 5 EIBARN Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)ccc1[N+](=O)[O-] ZINC000013000980 211506377 /nfs/dbraw/zinc/50/63/77/211506377.db2.gz HWNGFPYAMLHBAX-CYBMUJFWSA-N 0 0 342.420 4.434 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H]1c1cccnc1 ZINC000012563695 211411842 /nfs/dbraw/zinc/41/18/42/211411842.db2.gz FUGREYLWYKYWON-ZDUSSCGKSA-N 0 0 337.301 4.350 50 5 EIBARN CC(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012516967 211396142 /nfs/dbraw/zinc/39/61/42/211396142.db2.gz VCGLYYJADSNVAE-RYUDHWBXSA-N 0 0 330.306 4.330 50 5 EIBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1 ZINC000012021759 211279848 /nfs/dbraw/zinc/27/98/48/211279848.db2.gz NRIXJIPPSNLRIY-UHFFFAOYSA-N 0 0 332.359 4.442 50 5 EIBARN C[C@@H](SC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011445057 211218764 /nfs/dbraw/zinc/21/87/64/211218764.db2.gz VTZOWXQLFVYGGH-SECBINFHSA-N 0 0 328.821 4.251 50 5 EIBARN O=C(c1c(-c2ccccc2)nc2ccccn21)c1ccc([N+](=O)[O-])cc1 ZINC000009335397 211070003 /nfs/dbraw/zinc/07/00/03/211070003.db2.gz RVVSJCXAELQSMU-UHFFFAOYSA-N 0 0 343.342 4.141 50 5 EIBARN C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000095356595 218290210 /nfs/dbraw/zinc/29/02/10/218290210.db2.gz LHDLOGIXORSOSD-AWEZNQCLSA-N 0 0 336.395 4.080 50 5 EIBARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000007649245 210824588 /nfs/dbraw/zinc/82/45/88/210824588.db2.gz AJXSYGWDGKNJML-UHFFFAOYSA-N 0 0 328.221 4.005 50 5 EIBARN Cc1cc(C)c([N+](=O)[O-])c(OCc2cccc(C(F)(F)F)c2)n1 ZINC000096006428 218507571 /nfs/dbraw/zinc/50/75/71/218507571.db2.gz UEWVUGQZQSWIHE-UHFFFAOYSA-N 0 0 326.274 4.204 50 5 EIBARN O=C(/C=C\c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000006094116 210587921 /nfs/dbraw/zinc/58/79/21/210587921.db2.gz MXKLQQPJULJWLF-TWGQIWQCSA-N 0 0 347.168 4.009 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2nc1Cl ZINC000005446637 210465519 /nfs/dbraw/zinc/46/55/19/210465519.db2.gz GFKTZPYMVPFJEQ-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2 ZINC000005107039 210392106 /nfs/dbraw/zinc/39/21/06/210392106.db2.gz KSLKTADGKWXKKL-UHFFFAOYSA-N 0 0 345.354 4.428 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000005123724 210395083 /nfs/dbraw/zinc/39/50/83/210395083.db2.gz WYXXBZGFHGYBRT-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN O=C(NC1CCCCC1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000005064011 210379368 /nfs/dbraw/zinc/37/93/68/210379368.db2.gz JKLZVVZUYHXOHB-UHFFFAOYSA-N 0 0 345.443 4.038 50 5 EIBARN COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(F)cc1 ZINC000005024747 210364901 /nfs/dbraw/zinc/36/49/01/210364901.db2.gz 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O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCC4)N32)cc1 ZINC000013154851 564136083 /nfs/dbraw/zinc/13/60/83/564136083.db2.gz JCCUFLGXQUXPLE-ZCQKWSGTSA-N 0 0 347.418 4.483 50 5 EIBARN Cc1nn([C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000002625945 564151327 /nfs/dbraw/zinc/15/13/27/564151327.db2.gz LANHIEPGJDZVTO-CYBMUJFWSA-N 0 0 329.400 4.150 50 5 EIBARN CCOc1cccc(OCCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000002987053 564154187 /nfs/dbraw/zinc/15/41/87/564154187.db2.gz JVPPRMWNRQJMHA-UHFFFAOYSA-N 0 0 331.368 4.232 50 5 EIBARN O=C(Cc1c(Cl)cccc1Cl)OCc1ccc([N+](=O)[O-])cc1 ZINC000003248241 564156575 /nfs/dbraw/zinc/15/65/75/564156575.db2.gz HMIHWNOBOGTGER-UHFFFAOYSA-N 0 0 340.162 4.188 50 5 EIBARN CC[C@H](C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003515345 564158629 /nfs/dbraw/zinc/15/86/29/564158629.db2.gz SRTHOIWLNFWGNH-ZDUSSCGKSA-N 0 0 328.368 4.126 50 5 EIBARN Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)s2)o1 ZINC000031546607 564159544 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O=C(Cc1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000006537854 1039033912 /nfs/dbraw/zinc/03/39/12/1039033912.db2.gz LRRXRPPIXWDVSG-UHFFFAOYSA-N 0 0 325.151 4.083 50 5 EIBARN CC1(C)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C=C(Cl)Cl ZINC000004712917 210256964 /nfs/dbraw/zinc/25/69/64/210256964.db2.gz JASFOXHVNUFGLY-PELKAZGASA-N 0 0 329.183 4.125 50 5 EIBARN Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000004689128 210248180 /nfs/dbraw/zinc/24/81/80/210248180.db2.gz CBEHEHGVLPIDKF-UHFFFAOYSA-N 0 0 328.412 4.448 50 5 EIBARN Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004673220 210242466 /nfs/dbraw/zinc/24/24/66/210242466.db2.gz PWKAONGGBRQFEV-UHFFFAOYSA-N 0 0 336.800 4.287 50 5 EIBARN CC1CCN(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000004542796 210218047 /nfs/dbraw/zinc/21/80/47/210218047.db2.gz FTDIJLRGHJKIHG-SOFGYWHQSA-N 0 0 340.379 4.127 50 5 EIBARN O=[N+]([O-])c1ccc(SCc2ccc(Br)cc2)nc1 ZINC000004712058 210255686 /nfs/dbraw/zinc/25/56/86/210255686.db2.gz YUNAKQOAYZVBAX-UHFFFAOYSA-N 0 0 325.187 4.045 50 5 EIBARN Cc1cccc(N2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000004471735 210195311 /nfs/dbraw/zinc/19/53/11/210195311.db2.gz RKWUUHMDFUIQIA-XNTDXEJSSA-N 0 0 340.360 4.144 50 5 EIBARN COc1cc2[nH]c(Nc3ccc(Cl)cc3)c([N+](=O)[O-])c2cc1OC ZINC000004352529 210177500 /nfs/dbraw/zinc/17/75/00/210177500.db2.gz AXHGBGUHOOLWIB-UHFFFAOYSA-N 0 0 347.758 4.490 50 5 EIBARN Cc1c2ccccc2sc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000048363934 213931614 /nfs/dbraw/zinc/93/16/14/213931614.db2.gz SUHRJNLAZJVEOM-UHFFFAOYSA-N 0 0 326.377 4.048 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCCO3)c2ncccc12 ZINC000048341997 213924905 /nfs/dbraw/zinc/92/49/05/213924905.db2.gz UHVQEQDWHPCOBG-UHFFFAOYSA-N 0 0 337.335 4.048 50 5 EIBARN Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c1 ZINC000004278949 210159156 /nfs/dbraw/zinc/15/91/56/210159156.db2.gz SWMVCYRHDHLISW-UHFFFAOYSA-N 0 0 349.730 4.026 50 5 EIBARN O=C(CCCSc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003433587 210039337 /nfs/dbraw/zinc/03/93/37/210039337.db2.gz CEWIFQWYTUFRJO-UHFFFAOYSA-N 0 0 334.372 4.245 50 5 EIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000003310301 210003564 /nfs/dbraw/zinc/00/35/64/210003564.db2.gz RBLVLDHMWOFNMU-UHFFFAOYSA-N 0 0 343.354 4.289 50 5 EIBARN CC(C)(C)c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 ZINC000003291971 209998863 /nfs/dbraw/zinc/99/88/63/209998863.db2.gz RUJVJCGEUWCKDV-UHFFFAOYSA-N 0 0 337.375 4.360 50 5 EIBARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000003269933 209994022 /nfs/dbraw/zinc/99/40/22/209994022.db2.gz KRIYPTMICJJFJI-UHFFFAOYSA-N 0 0 332.164 4.320 50 5 EIBARN CC[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000003125067 209967127 /nfs/dbraw/zinc/96/71/27/209967127.db2.gz YQYBZRJNPSCVTO-PXAZEXFGSA-N 0 0 329.352 4.040 50 5 EIBARN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000002868588 209932325 /nfs/dbraw/zinc/93/23/25/209932325.db2.gz AISJSTCMPJYGLA-UHFFFAOYSA-N 0 0 334.759 4.208 50 5 EIBARN Cc1c(NC(=O)N(C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000040099067 213264959 /nfs/dbraw/zinc/26/49/59/213264959.db2.gz SIGHBVHIBDPPGO-UHFFFAOYSA-N 0 0 333.775 4.221 50 5 EIBARN COc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000000858843 209692337 /nfs/dbraw/zinc/69/23/37/209692337.db2.gz FPEMHFSGJXUXAN-UHFFFAOYSA-N 0 0 348.358 4.108 50 5 EIBARN Cc1cc(OC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc(C)c1Cl ZINC000000968493 209696129 /nfs/dbraw/zinc/69/61/29/209696129.db2.gz UWZMGVIDUHGFNC-BQYQJAHWSA-N 0 0 331.755 4.484 50 5 EIBARN Cc1ccc2c(C)nc(SCc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000000509205 209640565 /nfs/dbraw/zinc/64/05/65/209640565.db2.gz LZUOODYSXKQMRK-UHFFFAOYSA-N 0 0 325.393 4.447 50 5 EIBARN O=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000476682 209626349 /nfs/dbraw/zinc/62/63/49/209626349.db2.gz PFALYOLLRMDTNL-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000000466854 209618283 /nfs/dbraw/zinc/61/82/83/209618283.db2.gz NKPBVMBLDXNNRU-UHFFFAOYSA-N 0 0 347.370 4.470 50 5 EIBARN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2ccccc2)c1 ZINC000036347298 213085151 /nfs/dbraw/zinc/08/51/51/213085151.db2.gz KMZSEZLRCSKILH-NRFANRHFSA-N 0 0 347.418 4.392 50 5 EIBARN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000030859496 212712667 /nfs/dbraw/zinc/71/26/67/212712667.db2.gz SBWSOXDLBCRIAU-CQSZACIVSA-N 0 0 327.167 4.047 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)nc1Cl ZINC000220971668 241455921 /nfs/dbraw/zinc/45/59/21/241455921.db2.gz BQAZXJATOCMPTR-UHFFFAOYSA-N 0 0 331.803 4.102 50 5 EIBARN O=C1Nc2ccccc2/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000021706851 212241579 /nfs/dbraw/zinc/24/15/79/212241579.db2.gz HAOISBSLZUGOAK-LFIBNONCSA-N 0 0 332.315 4.348 50 5 EIBARN Nc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000020031817 212095802 /nfs/dbraw/zinc/09/58/02/212095802.db2.gz BLGNUHDQWHQPEJ-UHFFFAOYSA-N 0 0 341.154 4.128 50 5 EIBARN c1ccc2c(c1)nc(CSc1nnnn1C1CC1)c1ccccc21 ZINC000016375699 211898056 /nfs/dbraw/zinc/89/80/56/211898056.db2.gz SHAINDIHAWUIQU-UHFFFAOYSA-N 0 0 333.420 4.002 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccc(F)cc1)C1CC1 ZINC000012938581 211489859 /nfs/dbraw/zinc/48/98/59/211489859.db2.gz REKYVJLWSLLHNN-UHFFFAOYSA-N 0 0 348.761 4.192 50 5 EIBARN Cc1ccccc1N1C(=O)S/C(=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000012289129 211332810 /nfs/dbraw/zinc/33/28/10/211332810.db2.gz GBGMFGZHKWNELE-GDNBJRDFSA-N 0 0 340.360 4.144 50 5 EIBARN CSc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000011213992 211208175 /nfs/dbraw/zinc/20/81/75/211208175.db2.gz XPEGBRRBLYWNJQ-QGZVFWFLSA-N 0 0 342.420 4.198 50 5 EIBARN Cc1ccc(OCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])n1 ZINC000009716998 211117950 /nfs/dbraw/zinc/11/79/50/211117950.db2.gz YBTODUPNVKGTIY-UHFFFAOYSA-N 0 0 327.365 4.001 50 5 EIBARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009515167 211097533 /nfs/dbraw/zinc/09/75/33/211097533.db2.gz UOUFNHAQNITTHN-SNVBAGLBSA-N 0 0 336.800 4.368 50 5 EIBARN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c2ncccc12 ZINC000095348928 218283963 /nfs/dbraw/zinc/28/39/63/218283963.db2.gz RVHXQZXBTAMXCX-UHFFFAOYSA-N 0 0 332.363 4.279 50 5 EIBARN Cc1nn2c(nccc2-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006662766 210674618 /nfs/dbraw/zinc/67/46/18/210674618.db2.gz XAUYOWSJYUUCOD-UHFFFAOYSA-N 0 0 330.347 4.280 50 5 EIBARN COc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)(C)C)c1 ZINC000005699275 210519242 /nfs/dbraw/zinc/51/92/42/210519242.db2.gz AMOPSRGKWHBAMT-UHFFFAOYSA-N 0 0 329.352 4.120 50 5 EIBARN Cc1nc2oc3ccc(Cl)cc3c(=O)c2c2nc3ccccc3n21 ZINC000005207677 210413220 /nfs/dbraw/zinc/41/32/20/210413220.db2.gz WFRMPBDHKXETSY-UHFFFAOYSA-N 0 0 335.750 4.104 50 5 EIBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc21 ZINC000005107707 210391231 /nfs/dbraw/zinc/39/12/31/210391231.db2.gz WZGONQBYSXYNLG-ZDUSSCGKSA-N 0 0 336.347 4.154 50 5 EIBARN CCCCOc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005094461 210388718 /nfs/dbraw/zinc/38/87/18/210388718.db2.gz ADJNGVDGPWQUNR-UHFFFAOYSA-N 0 0 328.368 4.334 50 5 EIBARN C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004856705 210302797 /nfs/dbraw/zinc/30/27/97/210302797.db2.gz OFJIPFJUTHIDDO-AWEZNQCLSA-N 0 0 340.379 4.402 50 5 EIBARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004844993 210297596 /nfs/dbraw/zinc/29/75/96/210297596.db2.gz FJZNIVCGUNZAAG-UHFFFAOYSA-N 0 0 325.151 4.083 50 5 EIBARN c1ccc2c(c1)nc1c3ccccc3nc(SC[C@H]3CCCO3)n21 ZINC000006931571 258052264 /nfs/dbraw/zinc/05/22/64/258052264.db2.gz AJJJGXNIORJRQV-CYBMUJFWSA-N 0 0 335.432 4.307 50 5 EIBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002859189 135658750 /nfs/dbraw/zinc/65/87/50/135658750.db2.gz DCSQLTJAUOIPON-NSHDSACASA-N 0 0 329.331 4.107 50 5 EIBARN CC[C@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000617370 563359145 /nfs/dbraw/zinc/35/91/45/563359145.db2.gz IIQVVUACAIUFMG-HNNXBMFYSA-N 0 0 335.403 4.351 50 5 EIBARN Cc1ccc([C@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000097373988 563599262 /nfs/dbraw/zinc/59/92/62/563599262.db2.gz UQAAFODQQPEZCW-LBPRGKRZSA-N 0 0 327.340 4.002 50 5 EIBARN COc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1 ZINC000017071821 563835224 /nfs/dbraw/zinc/83/52/24/563835224.db2.gz LCRNMWGBQDOMMA-UHFFFAOYSA-N 0 0 344.370 4.326 50 5 EIBARN Cc1c(NC(=O)N(C)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000043346764 563864407 /nfs/dbraw/zinc/86/44/07/563864407.db2.gz ACGSAEGIPMODOP-UHFFFAOYSA-N 0 0 333.775 4.221 50 5 EIBARN CN(c1nc2sccn2c1[N+](=O)[O-])[C@H](c1ccc(F)cc1)C1CC1 ZINC000072307713 563915812 /nfs/dbraw/zinc/91/58/12/563915812.db2.gz BPECOGDOTUEIGU-ZDUSSCGKSA-N 0 0 346.387 4.031 50 5 EIBARN CC(C)(C)OC(=O)n1c2ccc(Br)cc2cc1[N+](=O)[O-] ZINC000261494283 563926414 /nfs/dbraw/zinc/92/64/14/563926414.db2.gz UDBOSHTZMVJIMV-UHFFFAOYSA-N 0 0 341.161 4.095 50 5 EIBARN Cc1ccc(N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058312027 563942245 /nfs/dbraw/zinc/94/22/45/563942245.db2.gz OPDLXSRNJBZDRF-CYBMUJFWSA-N 0 0 330.409 4.047 50 5 EIBARN CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000144406 563987063 /nfs/dbraw/zinc/98/70/63/563987063.db2.gz XWJKFVCBVPQWEK-UHFFFAOYSA-N 0 0 334.759 4.288 50 5 EIBARN CC(C)(C)c1ccc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1 ZINC000000165793 563987487 /nfs/dbraw/zinc/98/74/87/563987487.db2.gz FTAYGLFNPADXDJ-UHFFFAOYSA-N 0 0 334.322 4.423 50 5 EIBARN O=C1O[C@](Oc2ccccc2[N+](=O)[O-])(c2ccccc2)c2ccccc21 ZINC000000174539 563987624 /nfs/dbraw/zinc/98/76/24/563987624.db2.gz NRXIYKRDMNTWSG-HXUWFJFHSA-N 0 0 347.326 4.045 50 5 EIBARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000000183101 563987890 /nfs/dbraw/zinc/98/78/90/563987890.db2.gz SRCTZSHXHORVLS-UHFFFAOYSA-N 0 0 347.374 4.145 50 5 EIBARN Cc1ccc2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000000188353 563988031 /nfs/dbraw/zinc/98/80/31/563988031.db2.gz BSYHRABXWKGLDU-WEVVVXLNSA-N 0 0 339.376 4.165 50 5 EIBARN Cc1c(OC(=O)c2ccccc2)ccc2c3ccccc3c(=O)oc12 ZINC000000307338 563990883 /nfs/dbraw/zinc/99/08/83/563990883.db2.gz LCRMHLSQKIRETQ-UHFFFAOYSA-N 0 0 330.339 4.474 50 5 EIBARN CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000000359493 563991514 /nfs/dbraw/zinc/99/15/14/563991514.db2.gz SOHZFLUWDGWOBD-UHFFFAOYSA-N 0 0 328.368 4.369 50 5 EIBARN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000371527 563991798 /nfs/dbraw/zinc/99/17/98/563991798.db2.gz CNZLTAUKZMJANK-UHFFFAOYSA-N 0 0 334.759 4.288 50 5 EIBARN O=C(Nc1ncc(-c2ccccc2)s1)c1csc([N+](=O)[O-])c1 ZINC000044504468 563995645 /nfs/dbraw/zinc/99/56/45/563995645.db2.gz FEWFVWWLSCTISH-UHFFFAOYSA-N 0 0 331.378 4.032 50 5 EIBARN CCc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 ZINC000000426926 563998629 /nfs/dbraw/zinc/99/86/29/563998629.db2.gz BHEMYNAYOPVCKD-UHFFFAOYSA-N 0 0 327.383 4.067 50 5 EIBARN C[C@@H]1CCCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)C1 ZINC000000435211 563999279 /nfs/dbraw/zinc/99/92/79/563999279.db2.gz AIIBDHVBUAAFRX-SECBINFHSA-N 0 0 338.816 4.335 50 5 EIBARN Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000000438157 563999314 /nfs/dbraw/zinc/99/93/14/563999314.db2.gz DHAZESYVMSATGN-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000000442668 563999518 /nfs/dbraw/zinc/99/95/18/563999518.db2.gz VHKXKNSCPHSPOU-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C(Nc1cc(F)c(F)cc1Cl)OCc1cccc([N+](=O)[O-])c1 ZINC000000446240 563999584 /nfs/dbraw/zinc/99/95/84/563999584.db2.gz QELYENXBILIPIY-UHFFFAOYSA-N 0 0 342.685 4.275 50 5 EIBARN CSc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000005299087 564002518 /nfs/dbraw/zinc/00/25/18/564002518.db2.gz PAPSJKWSANMXSP-UHFFFAOYSA-N 0 0 345.405 4.179 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000005321954 564002819 /nfs/dbraw/zinc/00/28/19/564002819.db2.gz MGVVYAANZGSRGC-UHFFFAOYSA-N 0 0 347.802 4.347 50 5 EIBARN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000471717 564006234 /nfs/dbraw/zinc/00/62/34/564006234.db2.gz 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O=[N+]([O-])c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000004690636 210249185 /nfs/dbraw/zinc/24/91/85/210249185.db2.gz CZXRHXYBMKZJDC-UHFFFAOYSA-N 0 0 347.330 4.377 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004689129 210248055 /nfs/dbraw/zinc/24/80/55/210248055.db2.gz QYIYHUUNTHPMLS-UHFFFAOYSA-N 0 0 328.412 4.448 50 5 EIBARN COc1ccc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000097993451 219066531 /nfs/dbraw/zinc/06/65/31/219066531.db2.gz UYAOSQBHTBXVFG-VURMDHGXSA-N 0 0 336.347 4.331 50 5 EIBARN Cc1[nH]c2c(cc(C)cc2CNc2nc3ccccn3c2[N+](=O)[O-])c1C ZINC000058426282 214584269 /nfs/dbraw/zinc/58/42/69/214584269.db2.gz QUINRWLNWVVVMZ-UHFFFAOYSA-N 0 0 349.394 4.261 50 5 EIBARN COc1ccccc1Nc1c2cc([N+](=O)[O-])ccc2sc1[N+](=O)[O-] ZINC000004622789 210233275 /nfs/dbraw/zinc/23/32/75/210233275.db2.gz RRKQFDRRYVDQOO-UHFFFAOYSA-N 0 0 345.336 4.470 50 5 EIBARN Cc1ccc(Cl)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000004330830 210173687 /nfs/dbraw/zinc/17/36/87/210173687.db2.gz JKKUYDWDMOPEMY-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000004330815 210173312 /nfs/dbraw/zinc/17/33/12/210173312.db2.gz RAAHDWRDLBYJTN-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN O=[N+]([O-])c1cccc2c1Sc1ccccc1[C@@]2(O)c1ccccc1 ZINC000004128668 210127935 /nfs/dbraw/zinc/12/79/35/210127935.db2.gz PXYBCMHFNFSGEN-IBGZPJMESA-N 0 0 335.384 4.344 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000004010636 210100324 /nfs/dbraw/zinc/10/03/24/210100324.db2.gz ISRFSXBZWFZBAZ-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(OC(F)F)cc1 ZINC000003344316 210013854 /nfs/dbraw/zinc/01/38/54/210013854.db2.gz LZVYGJLXWRCNIV-UHFFFAOYSA-N 0 0 333.246 4.173 50 5 EIBARN Cc1cc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000104230435 219363416 /nfs/dbraw/zinc/36/34/16/219363416.db2.gz SRITZVYGQGNRCO-UHFFFAOYSA-N 0 0 346.299 4.080 50 5 EIBARN O=c1oc2c(ccc3c2CN(c2ccccc2F)CO3)c2ccccc12 ZINC000002118799 209821058 /nfs/dbraw/zinc/82/10/58/209821058.db2.gz CNBKXSCJJFJSSD-UHFFFAOYSA-N 0 0 347.345 4.442 50 5 biogenic EIBARN CCCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001779874 209792358 /nfs/dbraw/zinc/79/23/58/209792358.db2.gz YGWFKCHFZNBZMO-FMIVXFBMSA-N 0 0 340.379 4.426 50 5 EIBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1F ZINC000040087566 213260384 /nfs/dbraw/zinc/26/03/84/213260384.db2.gz AZCXOSOJOSDBKI-UHFFFAOYSA-N 0 0 336.750 4.050 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NCc1c(C)cc(C)c(C(C)=O)c1C ZINC000039535348 213239531 /nfs/dbraw/zinc/23/95/31/213239531.db2.gz JJNIIOPAFZBMIM-UHFFFAOYSA-N 0 0 342.395 4.343 50 5 EIBARN Cc1nnc(-c2ccc(Oc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)o1 ZINC000000587048 209672886 /nfs/dbraw/zinc/67/28/86/209672886.db2.gz CXGKBIKEBNIOLE-UHFFFAOYSA-N 0 0 325.324 4.362 50 5 EIBARN Cc1cccc2sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000000467686 209619994 /nfs/dbraw/zinc/61/99/94/209619994.db2.gz CEFXDZHEZAPSSY-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN O=C(CSCc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000000460166 209614323 /nfs/dbraw/zinc/61/43/23/209614323.db2.gz NCUTWTCWEXYCQL-UHFFFAOYSA-N 0 0 336.800 4.120 50 5 EIBARN Cc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1[N+](=O)[O-] ZINC000036397520 213098159 /nfs/dbraw/zinc/09/81/59/213098159.db2.gz VMNWNLVQIXWOTJ-UHFFFAOYSA-N 0 0 343.770 4.301 50 5 EIBARN O=C(OCc1csc([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CCCC1 ZINC000071821938 215851328 /nfs/dbraw/zinc/85/13/28/215851328.db2.gz ZJQXKCYQJRQFEK-UHFFFAOYSA-N 0 0 349.383 4.351 50 5 EIBARN Cc1c(COc2nc(-c3ccccc3Cl)no2)cccc1[N+](=O)[O-] ZINC000072068242 216002366 /nfs/dbraw/zinc/00/23/66/216002366.db2.gz WJEBLXKYLMSTIF-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2ccccc2COc2ccccc2)nc1 ZINC000030521342 212699741 /nfs/dbraw/zinc/69/97/41/212699741.db2.gz IFVYIHQWHCEJQB-UHFFFAOYSA-N 0 0 335.363 4.181 50 5 EIBARN Cc1cccc(C(=O)N2CCCSc3ccccc32)c1[N+](=O)[O-] ZINC000037084813 213132928 /nfs/dbraw/zinc/13/29/28/213132928.db2.gz CHNLYYYOOXEYCQ-UHFFFAOYSA-N 0 0 328.393 4.046 50 5 EIBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(Cl)c1 ZINC000000240192 209499816 /nfs/dbraw/zinc/49/98/16/209499816.db2.gz PVWDAGSOHPSVGQ-OAHLLOKOSA-N 0 0 334.784 4.027 50 5 EIBARN Cc1cccc(C(C)C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000140408 209446763 /nfs/dbraw/zinc/44/67/63/209446763.db2.gz PYGRHUFPTKNNSM-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccccc1Cl ZINC000000068997 209399572 /nfs/dbraw/zinc/39/95/72/209399572.db2.gz VGEWQWGHRRYTBH-INIZCTEOSA-N 0 0 348.811 4.136 50 5 EIBARN COCc1cc(C)c2c(n1)sc1c3nc4ccccc4n3c(C)nc12 ZINC000000066728 209398882 /nfs/dbraw/zinc/39/88/82/209398882.db2.gz NKOQWVQSZBYJBZ-UHFFFAOYSA-N 0 0 348.431 4.409 50 5 EIBARN O=C(Oc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000000068144 209398787 /nfs/dbraw/zinc/39/87/87/209398787.db2.gz JDHHWQOTMUBCNC-UHFFFAOYSA-N 0 0 328.711 4.016 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000000060940 209394604 /nfs/dbraw/zinc/39/46/04/209394604.db2.gz OOXYFNFHCNHHNP-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000012137660 211301586 /nfs/dbraw/zinc/30/15/86/211301586.db2.gz NYWASQNRIXXPBW-KRWDZBQOSA-N 0 0 328.368 4.008 50 5 EIBARN CSc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012038902 211283342 /nfs/dbraw/zinc/28/33/42/211283342.db2.gz OINKHKVCXCIDNK-NSHDSACASA-N 0 0 348.449 4.436 50 5 EIBARN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2S1 ZINC000011055839 211202267 /nfs/dbraw/zinc/20/22/67/211202267.db2.gz IDEMCPALXPFAPV-LBPRGKRZSA-N 0 0 328.393 4.126 50 5 EIBARN O=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000011178543 211206589 /nfs/dbraw/zinc/20/65/89/211206589.db2.gz KBQBEXXXRLLBIB-UHFFFAOYSA-N 0 0 344.798 4.100 50 5 EIBARN O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000010221294 211154915 /nfs/dbraw/zinc/15/49/15/211154915.db2.gz NLDVLVWYHWFNIB-UHFFFAOYSA-N 0 0 344.798 4.100 50 5 EIBARN C[C@H](Sc1nnc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000008744585 210996317 /nfs/dbraw/zinc/99/63/17/210996317.db2.gz YWXYDIYACOLNGG-LBPRGKRZSA-N 0 0 340.408 4.244 50 5 EIBARN Cc1ccc(NC(=O)COc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000005093346 210388773 /nfs/dbraw/zinc/38/87/73/210388773.db2.gz POTUGDTTZGLFSK-UHFFFAOYSA-N 0 0 336.347 4.074 50 5 EIBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4ccccc4s3)nc2c1 ZINC000005095268 210388543 /nfs/dbraw/zinc/38/85/43/210388543.db2.gz CVJXGTXQPQJAIA-UHFFFAOYSA-N 0 0 342.405 4.373 50 5 EIBARN CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl ZINC000005125896 210394051 /nfs/dbraw/zinc/39/40/51/210394051.db2.gz BDNBAELUPBOGBX-XNTDXEJSSA-N 0 0 341.754 4.054 50 5 EIBARN C[C@H]1CCCCN1c1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000005069347 210383129 /nfs/dbraw/zinc/38/31/29/210383129.db2.gz NDCGOBNIFBKYDU-AWEZNQCLSA-N 0 0 345.443 4.036 50 5 EIBARN O=C(NC1CCCCC1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000005064169 210380295 /nfs/dbraw/zinc/38/02/95/210380295.db2.gz HXONRUDROVDYLH-UHFFFAOYSA-N 0 0 345.443 4.402 50 5 EIBARN Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1[N+](=O)[O-] ZINC000005063109 210380088 /nfs/dbraw/zinc/38/00/88/210380088.db2.gz HWXFZOOXKFOGOK-UHFFFAOYSA-N 0 0 348.424 4.136 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005063536 210379808 /nfs/dbraw/zinc/37/98/08/210379808.db2.gz MKTBTHRMBKOTSN-UHFFFAOYSA-N 0 0 328.412 4.448 50 5 EIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c2ncccc12 ZINC000004981613 210348596 /nfs/dbraw/zinc/34/85/96/210348596.db2.gz BHBOAODLVRLIEM-UHFFFAOYSA-N 0 0 344.714 4.448 50 5 EIBARN O=[N+]([O-])c1cccc(-c2noc(/C=C/c3ccccc3Cl)n2)c1 ZINC000004978418 210346600 /nfs/dbraw/zinc/34/66/00/210346600.db2.gz VZLWUBKXHMJTPK-CMDGGOBGSA-N 0 0 327.727 4.469 50 5 EIBARN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2cc1Cl ZINC000004842900 210296414 /nfs/dbraw/zinc/29/64/14/210296414.db2.gz OEENCIPZRKHIPE-UHFFFAOYSA-N 0 0 337.744 4.012 50 5 EIBARN CCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004838632 210293677 /nfs/dbraw/zinc/29/36/77/210293677.db2.gz QSIVVSKHQSZCFG-UHFFFAOYSA-N 0 0 328.368 4.334 50 5 EIBARN O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004828629 210290433 /nfs/dbraw/zinc/29/04/33/210290433.db2.gz MSFKNPPPEBJRHL-UHFFFAOYSA-N 0 0 336.800 4.120 50 5 EIBARN COc1ccc(NC(=O)c2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000004750297 210270977 /nfs/dbraw/zinc/27/09/77/210270977.db2.gz QRRFKGKSPRBSKM-UHFFFAOYSA-N 0 0 328.349 4.070 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N(c1ccccc1)C(C)C ZINC000004765271 210274430 /nfs/dbraw/zinc/27/44/30/210274430.db2.gz JPKOGGKKZZXUMG-UHFFFAOYSA-N 0 0 329.356 4.050 50 5 EIBARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000031527 262517004 /nfs/dbraw/zinc/51/70/04/262517004.db2.gz AXVFPOKFEGCTAR-UHFFFAOYSA-N 0 0 347.417 4.293 50 5 EIBARN CC[C@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000005468800 563533582 /nfs/dbraw/zinc/53/35/82/563533582.db2.gz SCURELDCIPSURR-NSHDSACASA-N 0 0 343.339 4.269 50 5 EIBARN COc1ccc(NC(=O)N[C@@H](C)c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000032895376 563781146 /nfs/dbraw/zinc/78/11/46/563781146.db2.gz JDJYSDLNCSDCMB-ZDUSSCGKSA-N 0 0 343.383 4.103 50 5 EIBARN Cc1cc(C)c2c(n1)sc1c3nc(Cc4ccccc4)nn3cnc12 ZINC000033027811 563931505 /nfs/dbraw/zinc/93/15/05/563931505.db2.gz IQYXISLSOGSHAO-UHFFFAOYSA-N 0 0 345.431 4.095 50 5 EIBARN Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000000038582 563967498 /nfs/dbraw/zinc/96/74/98/563967498.db2.gz FKBTYHREAYGMNP-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(NCc3ccco3)n2)cc1 ZINC000000072020 563974412 /nfs/dbraw/zinc/97/44/12/563974412.db2.gz QOOZAJKRBANUND-UHFFFAOYSA-N 0 0 346.346 4.410 50 5 EIBARN COc1cccc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000000087234 563976233 /nfs/dbraw/zinc/97/62/33/563976233.db2.gz ZAKDFJPZFUEUFS-UHFFFAOYSA-N 0 0 327.258 4.201 50 5 EIBARN Cc1cc(Cl)ccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000099435 563976479 /nfs/dbraw/zinc/97/64/79/563976479.db2.gz VUPKVKUHHKXZGN-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN O=[N+]([O-])C1=Cc2c(ccc3ccccc32)O[C@@H]1c1ccc2c(c1)OCO2 ZINC000000091885 563976568 /nfs/dbraw/zinc/97/65/68/563976568.db2.gz FFBOMGRVEIJACO-HXUWFJFHSA-N 0 0 347.326 4.320 50 5 EIBARN Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000000102008 563982149 /nfs/dbraw/zinc/98/21/49/563982149.db2.gz BGKONWIBMGUCQH-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000000101982 563982164 /nfs/dbraw/zinc/98/21/64/563982164.db2.gz LSUURGDLVVFGBE-UHFFFAOYSA-N 0 0 346.386 4.423 50 5 EIBARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000000103357 563982166 /nfs/dbraw/zinc/98/21/66/563982166.db2.gz NGRNRPWPJLMWBI-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 in-vivo EIBARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000000176866 563987562 /nfs/dbraw/zinc/98/75/62/563987562.db2.gz KDTBRANYLGZVLT-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1C ZINC000000175232 563987578 /nfs/dbraw/zinc/98/75/78/563987578.db2.gz ITKZAYDCFKEJGZ-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN CC[C@H](Oc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000000205934 563988494 /nfs/dbraw/zinc/98/84/94/563988494.db2.gz QFUDDVOEPYUVMD-HNNXBMFYSA-N 0 0 325.324 4.175 50 5 EIBARN O=[N+]([O-])c1cccc(-c2nc([C@H]3COc4ccccc4O3)cs2)c1 ZINC000000206933 563988560 /nfs/dbraw/zinc/98/85/60/563988560.db2.gz DMWYBZRZWNQZDP-MRXNPFEDSA-N 0 0 340.360 4.231 50 5 EIBARN COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1 ZINC000000273895 563990109 /nfs/dbraw/zinc/99/01/09/563990109.db2.gz JZFWVKZAAIUNLO-UHFFFAOYSA-N 0 0 345.354 4.207 50 5 EIBARN O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000000281307 563990182 /nfs/dbraw/zinc/99/01/82/563990182.db2.gz WMRQAXSKXRUMNQ-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN CCc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000308957 563990790 /nfs/dbraw/zinc/99/07/90/563990790.db2.gz RVALOFCEYRUEPS-CSKARUKUSA-N 0 0 330.771 4.463 50 5 EIBARN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000000370758 563991799 /nfs/dbraw/zinc/99/17/99/563991799.db2.gz YBEXYMBTVLZVNO-GFCCVEGCSA-N 0 0 332.787 4.356 50 5 EIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000437377 563999301 /nfs/dbraw/zinc/99/93/01/563999301.db2.gz IRAQIIPFSOPROX-RMKNXTFCSA-N 0 0 336.269 4.266 50 5 EIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccc(Cl)cc1 ZINC000000431765 563999321 /nfs/dbraw/zinc/99/93/21/563999321.db2.gz BBQZKQBSJOQFSM-MRXNPFEDSA-N 0 0 348.811 4.136 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000439919 563999324 /nfs/dbraw/zinc/99/93/24/563999324.db2.gz WIKQAZWHKZQKFQ-UHFFFAOYSA-N 0 0 348.424 4.002 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000444123 563999550 /nfs/dbraw/zinc/99/95/50/563999550.db2.gz MNQLRXCXDAXPPM-UHFFFAOYSA-N 0 0 347.802 4.347 50 5 EIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F ZINC000000464484 564000784 /nfs/dbraw/zinc/00/07/84/564000784.db2.gz ZUWWFWRLTVMYAC-MDZDMXLPSA-N 0 0 336.269 4.266 50 5 EIBARN Cc1cc(Br)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000000466526 564000807 /nfs/dbraw/zinc/00/08/07/564000807.db2.gz BGWHYPGXXIUDJG-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1snc2ccc(Cl)cc21 ZINC000005578578 564005757 /nfs/dbraw/zinc/00/57/57/564005757.db2.gz CVUVVIOGJWNXPO-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN O=C(Nc1ccccc1F)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000538830 564022357 /nfs/dbraw/zinc/02/23/57/564022357.db2.gz PQWRLIBIOSUFSW-UHFFFAOYSA-N 0 0 326.283 4.246 50 5 EIBARN CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000000544414 564022634 /nfs/dbraw/zinc/02/26/34/564022634.db2.gz TYXHDCBZYRVYSG-UHFFFAOYSA-N 0 0 347.378 4.211 50 5 EIBARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000046018441 564029279 /nfs/dbraw/zinc/02/92/79/564029279.db2.gz CASFFELAOIRTQX-MRXNPFEDSA-N 0 0 325.368 4.272 50 5 EIBARN O=[N+]([O-])c1ccc2c3c(ccc([N+](=O)[O-])c31)-c1nc3ccccc3nc1-2 ZINC000048024946 564029857 /nfs/dbraw/zinc/02/98/57/564029857.db2.gz PGSYUHOTAGTTKS-UHFFFAOYSA-N 0 0 344.286 4.247 50 5 EIBARN COc1cc(F)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000025310377 564054121 /nfs/dbraw/zinc/05/41/21/564054121.db2.gz QVBXNLRUUGLWRZ-UHFFFAOYSA-N 0 0 346.339 4.210 50 5 EIBARN COCc1cc(C)nc2sc3c4nc5ccccc5n4c(C)nc3c21 ZINC000001031515 564054194 /nfs/dbraw/zinc/05/41/94/564054194.db2.gz QGQWCINKRDUKFZ-UHFFFAOYSA-N 0 0 348.431 4.409 50 5 EIBARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000001063929 564054255 /nfs/dbraw/zinc/05/42/55/564054255.db2.gz MTZBTIYCKATAQS-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000025512866 564054474 /nfs/dbraw/zinc/05/44/74/564054474.db2.gz GLFFFSSBMTUTOE-OAHLLOKOSA-N 0 0 348.786 4.138 50 5 EIBARN CSc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000001137768 564054480 /nfs/dbraw/zinc/05/44/80/564054480.db2.gz WTAIKIVQOHRWCP-UHFFFAOYSA-N 0 0 348.449 4.189 50 5 EIBARN Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000001164952 564054612 /nfs/dbraw/zinc/05/46/12/564054612.db2.gz ANFBYOOZWHGHIY-UHFFFAOYSA-N 0 0 339.347 4.205 50 5 EIBARN O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccccn3)c2c2ccccc12 ZINC000012610351 564060627 /nfs/dbraw/zinc/06/06/27/564060627.db2.gz XAYRGCIAKMRHHU-UHFFFAOYSA-N 0 0 341.292 4.157 50 5 EIBARN CCc1cc2c(ncnc2N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000083820499 564063534 /nfs/dbraw/zinc/06/35/34/564063534.db2.gz ZIRIBWAGRJZTFK-NSHDSACASA-N 0 0 342.424 4.359 50 5 EIBARN COc1cc(C(C)=O)ccc1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000083843713 564063711 /nfs/dbraw/zinc/06/37/11/564063711.db2.gz VPXFKXWROQGTRL-UHFFFAOYSA-N 0 0 335.743 4.038 50 5 EIBARN O=[N+]([O-])c1c(SCc2ccccc2Cl)nc2sccn21 ZINC000001395911 564064433 /nfs/dbraw/zinc/06/44/33/564064433.db2.gz USOLHZBNDVOQSQ-UHFFFAOYSA-N 0 0 325.802 4.250 50 5 EIBARN CCOC(=O)c1oc2ccccc2c1COc1cccc([N+](=O)[O-])c1 ZINC000016207835 564080927 /nfs/dbraw/zinc/08/09/27/564080927.db2.gz JMHIORUBNJZMEO-UHFFFAOYSA-N 0 0 341.319 4.097 50 5 EIBARN Cc1ccccc1C1(CNc2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000064029830 564083647 /nfs/dbraw/zinc/08/36/47/564083647.db2.gz WYKQLLHIIOAIIN-UHFFFAOYSA-N 0 0 332.425 4.125 50 5 EIBARN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc1 ZINC000096114869 564092383 /nfs/dbraw/zinc/09/23/83/564092383.db2.gz HYFWOKNQTDHXNN-UHFFFAOYSA-N 0 0 331.331 4.239 50 5 biogenic EIBARN O=C(CSc1nc2ccccc2o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000007342094 564107261 /nfs/dbraw/zinc/10/72/61/564107261.db2.gz JNSSUSUYUKWRDX-UHFFFAOYSA-N 0 0 348.767 4.364 50 5 EIBARN O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000014349121 564112434 /nfs/dbraw/zinc/11/24/34/564112434.db2.gz LEYPMGOZHQBCDJ-UHFFFAOYSA-N 0 0 347.374 4.006 50 5 EIBARN CC(C)(C)OC(=O)n1cc(Br)c2ccc([N+](=O)[O-])cc21 ZINC000090367529 564116622 /nfs/dbraw/zinc/11/66/22/564116622.db2.gz GPNILAWQQQYXJF-UHFFFAOYSA-N 0 0 341.161 4.095 50 5 EIBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2ccccc2)o1 ZINC000007932753 564133513 /nfs/dbraw/zinc/13/35/13/564133513.db2.gz GSZDBRZSVIIVQL-SNVBAGLBSA-N 0 0 345.742 4.438 50 5 EIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2c(cccc2F)s1 ZINC000012792758 564135564 /nfs/dbraw/zinc/13/55/64/564135564.db2.gz VREJOWPNPVFLMD-UHFFFAOYSA-N 0 0 334.303 4.340 50 5 EIBARN Cc1cc2cc[nH]c2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000390835435 564138535 /nfs/dbraw/zinc/13/85/35/564138535.db2.gz NSHLNNUKAMORBG-UHFFFAOYSA-N 0 0 329.743 4.290 50 5 EIBARN CCCCNC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000002655409 564151967 /nfs/dbraw/zinc/15/19/67/564151967.db2.gz DQRWIXWDPOOZNY-UHFFFAOYSA-N 0 0 335.403 4.066 50 5 EIBARN CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000002895959 564152959 /nfs/dbraw/zinc/15/29/59/564152959.db2.gz CWELMLQZPOLURZ-UHFFFAOYSA-N 0 0 328.368 4.334 50 5 EIBARN CCOc1ccccc1OCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000002986857 564154167 /nfs/dbraw/zinc/15/41/67/564154167.db2.gz FAALKWLGPRJOQC-UHFFFAOYSA-N 0 0 331.368 4.150 50 5 EIBARN O=[N+]([O-])c1ccc(Oc2cccc(-c3cn[nH]c3)c2)c2ccncc21 ZINC000058294128 564158413 /nfs/dbraw/zinc/15/84/13/564158413.db2.gz INHBAGVOLPYQJP-UHFFFAOYSA-N 0 0 332.319 4.325 50 5 EIBARN O=[N+]([O-])c1ccc(Oc2ccc3ccc(C(F)(F)F)nc3c2)nc1 ZINC000058413280 564159020 /nfs/dbraw/zinc/15/90/20/564159020.db2.gz JSTOMGCMBOFTPU-UHFFFAOYSA-N 0 0 335.241 4.349 50 5 EIBARN CC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000008204490 564163563 /nfs/dbraw/zinc/16/35/63/564163563.db2.gz BMNDSFFBTAIFLV-INIZCTEOSA-N 0 0 328.368 4.369 50 5 EIBARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000008257622 564163837 /nfs/dbraw/zinc/16/38/37/564163837.db2.gz PJOAKDQWDXMNNN-SNVBAGLBSA-N 0 0 330.413 4.252 50 5 EIBARN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(O)c1 ZINC000070039239 564173477 /nfs/dbraw/zinc/17/34/77/564173477.db2.gz XKSNXXFTNGCVQC-ZDUSSCGKSA-N 0 0 343.383 4.224 50 5 EIBARN COc1ccc2oc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 ZINC000041156484 564173573 /nfs/dbraw/zinc/17/35/73/564173573.db2.gz CMKNGWODNCVCCF-UHFFFAOYSA-N 0 0 340.335 4.219 50 5 EIBARN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])c1 ZINC000004745476 210267937 /nfs/dbraw/zinc/26/79/37/210267937.db2.gz JZYPROTWYBZVKV-UHFFFAOYSA-N 0 0 349.730 4.026 50 5 EIBARN O=C(Nc1cccnc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004733284 210264770 /nfs/dbraw/zinc/26/47/70/210264770.db2.gz ADCUNJKNDAFEBT-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004691542 210249023 /nfs/dbraw/zinc/24/90/23/210249023.db2.gz DHAHWUSXDWQPMG-ZDUSSCGKSA-N 0 0 328.368 4.126 50 5 EIBARN Cc1sc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000055487414 214326805 /nfs/dbraw/zinc/32/68/05/214326805.db2.gz XCOCLFQLCYJCSK-OAHLLOKOSA-N 0 0 344.436 4.202 50 5 EIBARN O=[N+]([O-])c1ccc2sc(/C=C\c3cccc4c3OCCO4)nc2c1 ZINC000098008853 219067894 /nfs/dbraw/zinc/06/78/94/219067894.db2.gz CJUVROGERXLVCY-DAXSKMNVSA-N 0 0 340.360 4.146 50 5 EIBARN CC[C@H](C)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000004616456 210232044 /nfs/dbraw/zinc/23/20/44/210232044.db2.gz IKIRIAOFYUXTEB-LBPRGKRZSA-N 0 0 328.368 4.369 50 5 EIBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C/C=C/c1ccccc1 ZINC000004422932 210190137 /nfs/dbraw/zinc/19/01/37/210190137.db2.gz JTQJZLXQNIHKRY-VDFGJRGVSA-N 0 0 346.342 4.161 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000004347690 210177286 /nfs/dbraw/zinc/17/72/86/210177286.db2.gz CSJQUFZYIASQTA-UHFFFAOYSA-N 0 0 338.117 4.009 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccc(Cl)cc1 ZINC000004333735 210173695 /nfs/dbraw/zinc/17/36/95/210173695.db2.gz AAAMXFYVZFLVMC-UHFFFAOYSA-N 0 0 331.803 4.461 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccccc1 ZINC000004181153 210140308 /nfs/dbraw/zinc/14/03/08/210140308.db2.gz ZARADXLJZPLRIL-UHFFFAOYSA-N 0 0 326.274 4.105 50 5 EIBARN Cc1ccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004181157 210139991 /nfs/dbraw/zinc/13/99/91/210139991.db2.gz URNIAGQVUXFYIU-UHFFFAOYSA-N 0 0 340.301 4.413 50 5 aggregator EIBARN Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000004056809 210108717 /nfs/dbraw/zinc/10/87/17/210108717.db2.gz YKENXUJSGMMZNX-UHFFFAOYSA-N 0 0 328.368 4.009 50 5 EIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2ccccc2C1 ZINC000003892361 210084961 /nfs/dbraw/zinc/08/49/61/210084961.db2.gz RVNYDEFWVZBKLK-UHFFFAOYSA-N 0 0 338.388 4.008 50 5 EIBARN CCOc1cccc2c1Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=C2 ZINC000003669830 210071904 /nfs/dbraw/zinc/07/19/04/210071904.db2.gz JQDGZGVLPUPGEK-UHFFFAOYSA-N 0 0 328.280 4.178 50 5 biogenic EIBARN O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000003308978 210003698 /nfs/dbraw/zinc/00/36/98/210003698.db2.gz FJVXVEKVPPSKGM-UHFFFAOYSA-N 0 0 340.360 4.075 50 5 EIBARN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC000043342372 213576392 /nfs/dbraw/zinc/57/63/92/213576392.db2.gz POCAUOVVPJQNRK-MRXNPFEDSA-N 0 0 345.786 4.399 50 5 EIBARN COc1ccc(C(=O)Oc2ccc3c(c2C)CCCC3)cc1[N+](=O)[O-] ZINC000002847245 209926356 /nfs/dbraw/zinc/92/63/56/209926356.db2.gz NNFVBCSTRORWOL-UHFFFAOYSA-N 0 0 341.363 4.010 50 5 EIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000104045472 219342978 /nfs/dbraw/zinc/34/29/78/219342978.db2.gz SSHFAPSAKDWQOY-ZZXKWVIFSA-N 0 0 349.686 4.235 50 5 EIBARN CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21 ZINC000000575048 209669781 /nfs/dbraw/zinc/66/97/81/209669781.db2.gz ARRJBPOTBVTALK-ATVHPVEESA-N 0 0 346.342 4.372 50 5 EIBARN O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000557771 209663768 /nfs/dbraw/zinc/66/37/68/209663768.db2.gz LOJHQWJYKUHYJN-UHFFFAOYSA-N 0 0 342.685 4.102 50 5 EIBARN CC(C)c1nc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000037553935 213156683 /nfs/dbraw/zinc/15/66/83/213156683.db2.gz QSDCWUIMLFULNF-UHFFFAOYSA-N 0 0 339.351 4.347 50 5 EIBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000474492 209624835 /nfs/dbraw/zinc/62/48/35/209624835.db2.gz SBPYICXMRAAXBN-OAHLLOKOSA-N 0 0 334.759 4.044 50 5 EIBARN Cc1c(Cl)ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000000471710 209622196 /nfs/dbraw/zinc/62/21/96/209622196.db2.gz ULBIMSNMEUNNHH-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000471986 209623820 /nfs/dbraw/zinc/62/38/20/209623820.db2.gz WCVWOAIFCGTXJX-LLVKDONJSA-N 0 0 348.786 4.307 50 5 EIBARN Cc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC000000371169 209555860 /nfs/dbraw/zinc/55/58/60/209555860.db2.gz VZVUUFRJNRCJEH-LBPRGKRZSA-N 0 0 332.787 4.356 50 5 EIBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000000090904 209413300 /nfs/dbraw/zinc/41/33/00/209413300.db2.gz MJYCMZXRHJIRBQ-UHFFFAOYSA-N 0 0 345.660 4.486 50 5 EIBARN COc1c(Sc2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1 ZINC000000083110 209408789 /nfs/dbraw/zinc/40/87/89/209408789.db2.gz LLUJPKINUFWKIR-UHFFFAOYSA-N 0 0 341.392 4.249 50 5 EIBARN CC(C)(C)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000049034 209389198 /nfs/dbraw/zinc/38/91/98/209389198.db2.gz WBVGZTMKZMMBCJ-UHFFFAOYSA-N 0 0 328.368 4.233 50 5 EIBARN O=[N+]([O-])c1ccc([C@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCC4)N32)cc1 ZINC000019732716 212058876 /nfs/dbraw/zinc/05/88/76/212058876.db2.gz JCCUFLGXQUXPLE-ZXTYOHMPSA-N 0 0 347.418 4.483 50 5 EIBARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000012909201 211479951 /nfs/dbraw/zinc/47/99/51/211479951.db2.gz SKHUZTJOPHONEI-SNVBAGLBSA-N 0 0 330.365 4.236 50 5 EIBARN O=[N+]([O-])c1ccc2ncnc(Nc3ccc(N4CCCCC4)cc3)c2c1 ZINC000012082692 211288316 /nfs/dbraw/zinc/28/83/16/211288316.db2.gz PRACBCOCIKBIQU-UHFFFAOYSA-N 0 0 349.394 4.272 50 5 EIBARN O=C(Nc1ccc(F)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000012062409 211284526 /nfs/dbraw/zinc/28/45/26/211284526.db2.gz OBEFLUSNEVTYJU-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1[N+](=O)[O-] ZINC000011324302 211212159 /nfs/dbraw/zinc/21/21/59/211212159.db2.gz SWCYERSZYSOOSA-UHFFFAOYSA-N 0 0 339.395 4.064 50 5 EIBARN CCc1ccc(C2=NNC(=Nc3ccccc3[N+](=O)[O-])SC2)s1 ZINC000011121420 211203662 /nfs/dbraw/zinc/20/36/62/211203662.db2.gz QUUOZMDTTIFBHS-UHFFFAOYSA-N 0 0 346.437 4.138 50 5 EIBARN O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2C2CC2)c(Cl)c1 ZINC000009386753 211079369 /nfs/dbraw/zinc/07/93/69/211079369.db2.gz SHFKQFXCHLQGOD-UHFFFAOYSA-N 0 0 336.804 4.203 50 5 EIBARN O=c1[nH]c(C=Cc2ccc([N+](=O)[O-])cc2)nc2cc3ccccc3cc12 ZINC000009333807 211069077 /nfs/dbraw/zinc/06/90/77/211069077.db2.gz YYPPVFMFCPGXKL-JXMROGBWSA-N 0 0 343.342 4.155 50 5 EIBARN CCC[C@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008448638 210954189 /nfs/dbraw/zinc/95/41/89/210954189.db2.gz ZTBGDNACFJEPIL-KSSFIOAISA-N 0 0 342.395 4.020 50 5 EIBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccncc2)no1 ZINC000006868024 210730874 /nfs/dbraw/zinc/73/08/74/210730874.db2.gz KOZOAWGNVJYNST-UHFFFAOYSA-N 0 0 341.326 4.058 50 5 EIBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1[N+](=O)[O-] ZINC000006626910 210665930 /nfs/dbraw/zinc/66/59/30/210665930.db2.gz IZQCLXHGBYQBBC-UHFFFAOYSA-N 0 0 339.178 4.174 50 5 EIBARN CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1C[C@H](C)O[C@@H](C)C1 ZINC000005577204 210493478 /nfs/dbraw/zinc/49/34/78/210493478.db2.gz YIRDBVFDSROVBN-STQMWFEESA-N 0 0 330.384 4.378 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccccc2)o1 ZINC000005353656 210447747 /nfs/dbraw/zinc/44/77/47/210447747.db2.gz YOMDLACTOZVGBE-UHFFFAOYSA-N 0 0 338.319 4.019 50 5 EIBARN C[C@@H]1CCCCN1c1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000005069346 210383150 /nfs/dbraw/zinc/38/31/50/210383150.db2.gz NDCGOBNIFBKYDU-CQSZACIVSA-N 0 0 345.443 4.036 50 5 EIBARN CCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000005065221 210381948 /nfs/dbraw/zinc/38/19/48/210381948.db2.gz HGUNDGPUDYPSIV-UHFFFAOYSA-N 0 0 343.383 4.068 50 5 EIBARN O=[N+]([O-])c1cccc(Cl)c1[C@H]1NN=C(Cc2ccccc2)S1 ZINC000005018409 210363190 /nfs/dbraw/zinc/36/31/90/210363190.db2.gz NBEWPQJRYPFGNF-HNNXBMFYSA-N 0 0 333.800 4.139 50 5 EIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2Cl)c2ncccc12 ZINC000004995454 210353953 /nfs/dbraw/zinc/35/39/53/210353953.db2.gz BHCNWTTXRGSIGU-UHFFFAOYSA-N 0 0 344.714 4.448 50 5 EIBARN C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004856703 210302881 /nfs/dbraw/zinc/30/28/81/210302881.db2.gz OFJIPFJUTHIDDO-CQSZACIVSA-N 0 0 340.379 4.402 50 5 EIBARN O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000004866475 210306244 /nfs/dbraw/zinc/30/62/44/210306244.db2.gz ZYXSRQTXGLWKNH-UHFFFAOYSA-N 0 0 349.755 4.217 50 5 EIBARN Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Cl)c1 ZINC000004840622 210295279 /nfs/dbraw/zinc/29/52/79/210295279.db2.gz ZGITUCYRJNSJPZ-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN Cc1cccc2sc(NC(=O)c3cccc(C)c3[N+](=O)[O-])nc21 ZINC000004814278 210284744 /nfs/dbraw/zinc/28/47/44/210284744.db2.gz RMSSQUDNLQTBGX-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc2ccccc2c1 ZINC000004795378 210280559 /nfs/dbraw/zinc/28/05/59/210280559.db2.gz APFVRHLUGNTJFO-UHFFFAOYSA-N 0 0 338.319 4.368 50 5 EIBARN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000169726891 226556048 /nfs/dbraw/zinc/55/60/48/226556048.db2.gz SPLVFQTYKLMDLT-UHFFFAOYSA-N 0 0 341.754 4.357 50 5 EIBARN CCOc1ccc2c(c1)CN(c1ccc([N+](=O)[O-])c3cccnc31)CC2 ZINC000063992381 535435747 /nfs/dbraw/zinc/43/57/47/535435747.db2.gz MRDCLNYCGLBWQY-UHFFFAOYSA-N 0 0 349.390 4.104 50 5 EIBARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000478696 563335736 /nfs/dbraw/zinc/33/57/36/563335736.db2.gz HGUUWUJOHINQBP-UGSOOPFHSA-N 0 0 335.403 4.255 50 5 EIBARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000478697 563335790 /nfs/dbraw/zinc/33/57/90/563335790.db2.gz HGUUWUJOHINQBP-ACJLOTCBSA-N 0 0 335.403 4.255 50 5 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O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000012892140 564077570 /nfs/dbraw/zinc/07/75/70/564077570.db2.gz IZSJCINPWXVINW-UHFFFAOYSA-N 0 0 326.352 4.169 50 5 EIBARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000012895830 564077602 /nfs/dbraw/zinc/07/76/02/564077602.db2.gz AWYJNJLNGVPZCW-MRXNPFEDSA-N 0 0 330.771 4.129 50 5 EIBARN Cc1cc(Cl)c(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001738729 564084427 /nfs/dbraw/zinc/08/44/27/564084427.db2.gz TYSAMKNZLRUHDL-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1Br ZINC000006377275 564085403 /nfs/dbraw/zinc/08/54/03/564085403.db2.gz JROOMULXBMAUDB-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN Cc1nn(Cc2cc3ccc(C)c(C)c3nc2Cl)c(C)c1[N+](=O)[O-] ZINC000006589975 564092405 /nfs/dbraw/zinc/09/24/05/564092405.db2.gz JNFCMYPLVLFGQN-UHFFFAOYSA-N 0 0 344.802 4.275 50 5 EIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCCC1 ZINC000007512653 564109511 /nfs/dbraw/zinc/10/95/11/564109511.db2.gz 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Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000000287563 209519285 /nfs/dbraw/zinc/51/92/85/209519285.db2.gz DNBVEMSUYZIPKS-OAHLLOKOSA-N 0 0 346.333 4.486 50 5 EIBARN O=C(Nc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000174753 209465495 /nfs/dbraw/zinc/46/54/95/209465495.db2.gz GQBMBLDVWZLMNK-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN O=C(Nc1nc(-c2cccs2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000000069020 209399705 /nfs/dbraw/zinc/39/97/05/209399705.db2.gz WNQGCYHICSCWSE-UHFFFAOYSA-N 0 0 331.378 4.032 50 5 EIBARN C[C@@H](Nc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1ccc2ccccc2c1 ZINC000026707423 212530846 /nfs/dbraw/zinc/53/08/46/212530846.db2.gz XHZKLEPVVDCMFJ-GFCCVEGCSA-N 0 0 349.394 4.285 50 5 EIBARN Cc1cccc(-c2noc(-c3ccc(NC(C)C)c([N+](=O)[O-])c3)n2)c1 ZINC000020897657 212183208 /nfs/dbraw/zinc/18/32/08/212183208.db2.gz ORKDWKDOMIEGAG-UHFFFAOYSA-N 0 0 338.367 4.441 50 5 EIBARN C[C@@H]1CCC[C@@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1C=O ZINC000013574199 211583552 /nfs/dbraw/zinc/58/35/52/211583552.db2.gz PWIVUGKKWARPHR-GHMZBOCLSA-N 0 0 338.454 4.047 50 5 EIBARN Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000012766940 211449559 /nfs/dbraw/zinc/44/95/59/211449559.db2.gz JRIPZJAURWJQBT-LLVKDONJSA-N 0 0 334.372 4.162 50 5 EIBARN CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000089856523 217862907 /nfs/dbraw/zinc/86/29/07/217862907.db2.gz NUXDFCKQMLDSJK-GFCCVEGCSA-N 0 0 332.425 4.346 50 5 EIBARN CSc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000011213973 211208025 /nfs/dbraw/zinc/20/80/25/211208025.db2.gz XPEGBRRBLYWNJQ-KRWDZBQOSA-N 0 0 342.420 4.198 50 5 EIBARN O=C(NCC1(c2ccccc2)CCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000010221873 211154205 /nfs/dbraw/zinc/15/42/05/211154205.db2.gz NFJYRBFXSWVXBP-UHFFFAOYSA-N 0 0 344.798 4.100 50 5 EIBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccncc1 ZINC000009419990 211081599 /nfs/dbraw/zinc/08/15/99/211081599.db2.gz KNNXZWFCERLETK-UHFFFAOYSA-N 0 0 340.386 4.190 50 5 EIBARN Cc1nnc(CSc2nc3ccccc3c3nc4ccccc4n32)o1 ZINC000009367299 211076221 /nfs/dbraw/zinc/07/62/21/211076221.db2.gz PZECQPCNCPUECZ-UHFFFAOYSA-N 0 0 347.403 4.019 50 5 EIBARN CC(C)Oc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000009356006 211074343 /nfs/dbraw/zinc/07/43/43/211074343.db2.gz ZEOYIPNPPWKOQQ-UHFFFAOYSA-N 0 0 334.759 4.288 50 5 EIBARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000008987536 211026936 /nfs/dbraw/zinc/02/69/36/211026936.db2.gz GEMCIBKWMRHWCL-VIFPVBQESA-N 0 0 347.421 4.099 50 5 EIBARN CC[C@H](C)c1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000008128742 210898508 /nfs/dbraw/zinc/89/85/08/210898508.db2.gz CDSIVMRZGYMKRS-ZDUSSCGKSA-N 0 0 327.384 4.159 50 5 EIBARN O=[N+]([O-])c1ccc(-c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000006474150 210637698 /nfs/dbraw/zinc/63/76/98/210637698.db2.gz OBKBZTBHBXVOFB-UHFFFAOYSA-N 0 0 340.291 4.342 50 5 EIBARN O=C(CC12CC3CC(CC(C3)C1)C2)OCc1ccc([N+](=O)[O-])cc1 ZINC000006430035 210632240 /nfs/dbraw/zinc/63/22/40/210632240.db2.gz 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ZINC000004868844 210308956 /nfs/dbraw/zinc/30/89/56/210308956.db2.gz OURZCIFPUVCDNL-UHFFFAOYSA-N 0 0 328.221 4.005 50 5 EIBARN CCCC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000004824512 210288492 /nfs/dbraw/zinc/28/84/92/210288492.db2.gz BGCOEMGTRKPPQQ-AWEZNQCLSA-N 0 0 338.360 4.265 50 5 EIBARN Cc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000328588331 258045889 /nfs/dbraw/zinc/04/58/89/258045889.db2.gz BWYZXZOOOAESQR-HXUWFJFHSA-N 0 0 333.391 4.177 50 5 EIBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000002169628 258049556 /nfs/dbraw/zinc/04/95/56/258049556.db2.gz RCPUUVXIUIWMEE-UHFFFAOYSA-N 0 0 333.350 4.264 50 5 EIBARN c1ccc2c(c1)nc1c3ccccc3nc(SC[C@@H]3CCCO3)n21 ZINC000006931563 258052191 /nfs/dbraw/zinc/05/21/91/258052191.db2.gz AJJJGXNIORJRQV-ZDUSSCGKSA-N 0 0 335.432 4.307 50 5 EIBARN Brc1ccc2nc3ccc(Br)cc3nc2c1 ZINC000072206775 258064435 /nfs/dbraw/zinc/06/44/35/258064435.db2.gz ABVGUWJHWXBGEH-UHFFFAOYSA-N 0 0 338.002 4.308 50 5 EIBARN Cc1cccc(C(C)C)c1NC(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000185039973 534639288 /nfs/dbraw/zinc/63/92/88/534639288.db2.gz YNXCKICHGRQOKW-UHFFFAOYSA-N 0 0 346.358 4.183 50 5 EIBARN O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000473825 563332852 /nfs/dbraw/zinc/33/28/52/563332852.db2.gz ZCCSQVRBYIDNKM-MDZDMXLPSA-N 0 0 334.169 4.276 50 5 EIBARN O=C(c1ccccc1)c1ccc(Nc2cccc(CO)c2)c([N+](=O)[O-])c1 ZINC000007981440 563649709 /nfs/dbraw/zinc/64/97/09/563649709.db2.gz SZNCRVZXNMSMBJ-UHFFFAOYSA-N 0 0 348.358 4.062 50 5 EIBARN Cc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000004575208 563784679 /nfs/dbraw/zinc/78/46/79/563784679.db2.gz BGKYUZACMJOVDY-UHFFFAOYSA-N 0 0 338.407 4.433 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2ccnc(OC3CCCC3)c2)c(F)c1 ZINC000032923646 563825308 /nfs/dbraw/zinc/82/53/08/563825308.db2.gz CRZACKGEWQOZEB-UHFFFAOYSA-N 0 0 331.347 4.062 50 5 EIBARN O=C(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000010911736 563866961 /nfs/dbraw/zinc/86/69/61/563866961.db2.gz LCHPZILQILRZET-UHFFFAOYSA-N 0 0 344.798 4.348 50 5 EIBARN COc1cccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)c1OC ZINC000096792212 563962434 /nfs/dbraw/zinc/96/24/34/563962434.db2.gz KOPWPVRQDWJCQD-BENRWUELSA-N 0 0 336.347 4.331 50 5 EIBARN Cc1cc(C)nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000000075281 563973722 /nfs/dbraw/zinc/97/37/22/563973722.db2.gz GDVIAURTUKNFKC-UHFFFAOYSA-N 0 0 329.303 4.172 50 5 EIBARN Cc1c(C(=O)Nc2ccccc2SC(F)F)cccc1[N+](=O)[O-] ZINC000014603377 563986112 /nfs/dbraw/zinc/98/61/12/563986112.db2.gz UDDFAPAHJQCWCF-UHFFFAOYSA-N 0 0 338.335 4.470 50 5 EIBARN O=C(CSc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000000120896 563986774 /nfs/dbraw/zinc/98/67/74/563986774.db2.gz AMEQYAORFHSPLI-UHFFFAOYSA-N 0 0 330.390 4.180 50 5 EIBARN Cc1[nH]c2ccccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N ZINC000000134661 563986992 /nfs/dbraw/zinc/98/69/92/563986992.db2.gz SIHXQNHQMMNBOX-LJQANCHMSA-N 0 0 330.347 4.180 50 5 EIBARN O=C(Nc1nccs1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000179744 563987584 /nfs/dbraw/zinc/98/75/84/563987584.db2.gz SDVHOISACFFTSA-UHFFFAOYSA-N 0 0 341.348 4.096 50 5 EIBARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000304765 563990779 /nfs/dbraw/zinc/99/07/79/563990779.db2.gz NGZSJSBJVCIBDV-UHFFFAOYSA-N 0 0 332.787 4.299 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000000443293 563999531 /nfs/dbraw/zinc/99/95/31/563999531.db2.gz SPKPDBRAEOMUPR-UHFFFAOYSA-N 0 0 335.241 4.331 50 5 EIBARN CC[C@H](C)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000000450165 563999825 /nfs/dbraw/zinc/99/98/25/563999825.db2.gz JPJCWCKBQCXVJY-RSPDNQDQSA-N 0 0 340.379 4.466 50 5 EIBARN CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000005410970 564003738 /nfs/dbraw/zinc/00/37/38/564003738.db2.gz PJZHFJDMHZBMPZ-OLZOCXBDSA-N 0 0 340.375 4.055 50 5 EIBARN CC(C)c1ccc(Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])cc1 ZINC000005516087 564004918 /nfs/dbraw/zinc/00/49/18/564004918.db2.gz YEULESFVJBASGO-UHFFFAOYSA-N 0 0 337.379 4.314 50 5 EIBARN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000587070 564024553 /nfs/dbraw/zinc/02/45/53/564024553.db2.gz ZENXJGQHLCBXRF-UHFFFAOYSA-N 0 0 333.343 4.405 50 5 EIBARN CCN(Cc1csc(C(C)(C)C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000048054442 564029904 /nfs/dbraw/zinc/02/99/04/564029904.db2.gz ROKUVKCPOONIKF-UHFFFAOYSA-N 0 0 333.457 4.371 50 5 EIBARN Cc1ccc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000000615808 564031781 /nfs/dbraw/zinc/03/17/81/564031781.db2.gz LQWUKAFCFSRSOM-UHFFFAOYSA-N 0 0 327.365 4.246 50 5 EIBARN O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000024691184 564033302 /nfs/dbraw/zinc/03/33/02/564033302.db2.gz OLWKWSOKCDMUHG-UHFFFAOYSA-N 0 0 341.245 4.137 50 5 EIBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000000859262 564051013 /nfs/dbraw/zinc/05/10/13/564051013.db2.gz WCGVDTQONWCZAT-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Clc1ccccc1-c1nc2sc3nc4ccccc4nc3n2n1 ZINC000001051675 564054249 /nfs/dbraw/zinc/05/42/49/564054249.db2.gz DMNNXEMBWTXZCO-UHFFFAOYSA-N 0 0 337.795 4.208 50 5 EIBARN CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] ZINC000001057142 564054260 /nfs/dbraw/zinc/05/42/60/564054260.db2.gz CEIQOPFJDOMXNH-UHFFFAOYSA-N 0 0 335.743 4.038 50 5 EIBARN Cc1ccc(C)c(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1 ZINC000012555085 564059302 /nfs/dbraw/zinc/05/93/02/564059302.db2.gz HKFDJFWJQPSSSX-UHFFFAOYSA-N 0 0 327.384 4.042 50 5 EIBARN C[C@H](O[C@H]1C[C@H](Cc2ccc([N+](=O)[O-])cc2)CO1)c1ccccc1 ZINC000248378429 564063455 /nfs/dbraw/zinc/06/34/55/564063455.db2.gz JMGJVBYWFITZOE-QOKNQOGYSA-N 0 0 327.380 4.278 50 5 EIBARN CN(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000001386940 564063948 /nfs/dbraw/zinc/06/39/48/564063948.db2.gz YAJWFHRNWCIIPW-UHFFFAOYSA-N 0 0 336.800 4.101 50 5 EIBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1 ZINC000001389411 564063973 /nfs/dbraw/zinc/06/39/73/564063973.db2.gz STSSOJRCXMXBAC-UHFFFAOYSA-N 0 0 345.358 4.240 50 5 EIBARN C[C@@H](Cc1ccc(-c2ccccc2)cc1)Nc1c([N+](=O)[O-])ncn1C ZINC000084640728 564069307 /nfs/dbraw/zinc/06/93/07/564069307.db2.gz UDTQJVDBMOVYEE-AWEZNQCLSA-N 0 0 336.395 4.038 50 5 EIBARN Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000012914449 564078042 /nfs/dbraw/zinc/07/80/42/564078042.db2.gz DFYDXXUGIWBGSE-QGZVFWFLSA-N 0 0 344.798 4.438 50 5 EIBARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016273706 564081198 /nfs/dbraw/zinc/08/11/98/564081198.db2.gz MZBJQUQPCVSYGC-LLVKDONJSA-N 0 0 345.424 4.064 50 5 EIBARN CCOC(=O)c1c(C)oc2ccc(Oc3ncccc3[N+](=O)[O-])cc21 ZINC000026706264 564087689 /nfs/dbraw/zinc/08/76/89/564087689.db2.gz GTCQRYWBQNRWJS-UHFFFAOYSA-N 0 0 342.307 4.013 50 5 EIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000017068159 564116317 /nfs/dbraw/zinc/11/63/17/564116317.db2.gz RLUXHBQUUZZUDE-UHFFFAOYSA-N 0 0 331.759 4.233 50 5 EIBARN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000170633086 564116421 /nfs/dbraw/zinc/11/64/21/564116421.db2.gz DCZWMQDNCSIREO-BONVTDFDSA-N 0 0 340.807 4.090 50 5 EIBARN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(C)C)cc1 ZINC000007922886 564125500 /nfs/dbraw/zinc/12/55/00/564125500.db2.gz RFCGCYXCOFXNIF-SFHVURJKSA-N 0 0 342.395 4.039 50 5 EIBARN CC(C)(C)OC(=O)n1cc(Br)c2cc([N+](=O)[O-])ccc21 ZINC000002563792 564150894 /nfs/dbraw/zinc/15/08/94/564150894.db2.gz JJARBZJMYYOONY-UHFFFAOYSA-N 0 0 341.161 4.095 50 5 EIBARN O=[N+]([O-])c1ccc([C@H]2NN=C(c3cccc4ccccc43)S2)cc1 ZINC000002919681 564152998 /nfs/dbraw/zinc/15/29/98/564152998.db2.gz DKUJNYVCJHMEHC-KRWDZBQOSA-N 0 0 335.388 4.445 50 5 EIBARN CC(=O)O[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(Cl)(Cl)Cl ZINC000003202825 564155913 /nfs/dbraw/zinc/15/59/13/564155913.db2.gz DFWRZWVVGZOISB-SECBINFHSA-N 0 0 346.981 4.223 50 5 EIBARN CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000003288986 564157007 /nfs/dbraw/zinc/15/70/07/564157007.db2.gz ZOFMJXJWDFJGQY-UHFFFAOYSA-N 0 0 346.437 4.227 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])s1)N(c1nccs1)C1CCCCC1 ZINC000003298857 564157161 /nfs/dbraw/zinc/15/71/61/564157161.db2.gz GJDQDZSWCSSQSS-UHFFFAOYSA-N 0 0 337.426 4.092 50 5 EIBARN Cc1c(CSc2nc3cc(F)c(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000058342032 564158784 /nfs/dbraw/zinc/15/87/84/564158784.db2.gz BHXWDIAKOORQQU-UHFFFAOYSA-N 0 0 335.335 4.350 50 5 EIBARN O=C(Nc1cccc(OC2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000031205835 564159150 /nfs/dbraw/zinc/15/91/50/564159150.db2.gz PXYFGWHXKYAXOV-UHFFFAOYSA-N 0 0 326.352 4.169 50 5 EIBARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000059285693 564161007 /nfs/dbraw/zinc/16/10/07/564161007.db2.gz JNPCRAAFOIPRAS-OAHLLOKOSA-N 0 0 342.395 4.248 50 5 EIBARN O=[N+]([O-])c1ccc(/C=C\Sc2n[nH]c(C=Cc3cccs3)n2)o1 ZINC000098003903 1023634006 /nfs/dbraw/zinc/63/40/06/1023634006.db2.gz YZSSYCDPHBUQJD-ADNKFJFNSA-N 0 0 346.393 4.301 50 5 EIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)C(C)(C)C)cc1 ZINC000006537254 1039033837 /nfs/dbraw/zinc/03/38/37/1039033837.db2.gz WWALUDVRBZEEGV-UHFFFAOYSA-N 0 0 343.379 4.264 50 5 EIBARN CC[C@@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004719181 210257179 /nfs/dbraw/zinc/25/71/79/210257179.db2.gz CLFOGRWETFDPSZ-LLVKDONJSA-N 0 0 343.339 4.269 50 5 EIBARN CCOc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000004701943 210253159 /nfs/dbraw/zinc/25/31/59/210253159.db2.gz PJPOJVNBUXRVOL-UHFFFAOYSA-N 0 0 337.759 4.105 50 5 EIBARN CCc1ccc(NC(=O)c2ccc(N(CC)CC)c([N+](=O)[O-])c2)cc1 ZINC000004668660 210241422 /nfs/dbraw/zinc/24/14/22/210241422.db2.gz YNENWHCXFABPBY-UHFFFAOYSA-N 0 0 341.411 4.256 50 5 EIBARN CCOC(=O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1 ZINC000004344170 210175949 /nfs/dbraw/zinc/17/59/49/210175949.db2.gz DETDPTSKFFNFKO-UHFFFAOYSA-N 0 0 340.375 4.058 50 5 EIBARN Cc1ccc(C)n1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004336312 210174707 /nfs/dbraw/zinc/17/47/07/210174707.db2.gz ZNZNYYOFNNBVGK-UHFFFAOYSA-N 0 0 327.306 4.144 50 5 EIBARN O=[N+]([O-])c1ccc2nonc2c1Nc1cc(Cl)ccc1Cl ZINC000004093891 210119463 /nfs/dbraw/zinc/11/94/63/210119463.db2.gz XEMAURBJJKAKPA-UHFFFAOYSA-N 0 0 325.111 4.181 50 5 EIBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccccc1F ZINC000004079327 210115179 /nfs/dbraw/zinc/11/51/79/210115179.db2.gz GWLLFCDWXVVGAQ-UHFFFAOYSA-N 0 0 349.368 4.171 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000004070508 210112436 /nfs/dbraw/zinc/11/24/36/210112436.db2.gz NTDBYUPAOBBOIH-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1C(C)C ZINC000004040483 210106165 /nfs/dbraw/zinc/10/61/65/210106165.db2.gz IFWUFIQZMFZRDI-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004016808 210099640 /nfs/dbraw/zinc/09/96/40/210099640.db2.gz VXOZEHBONIJFQO-CMPLNLGQSA-N 0 0 329.183 4.125 50 5 aggregator EIBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1sc2ccccc2c1Cl ZINC000003879104 210083308 /nfs/dbraw/zinc/08/33/08/210083308.db2.gz JSDLQXZFJFZEHN-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000003342879 210013093 /nfs/dbraw/zinc/01/30/93/210013093.db2.gz YCRSPWKERPSYSC-UHFFFAOYSA-N 0 0 339.178 4.391 50 5 EIBARN CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 ZINC000044087107 213607829 /nfs/dbraw/zinc/60/78/29/213607829.db2.gz UPABARIWRRLYKT-UHFFFAOYSA-N 0 0 329.356 4.309 50 5 EIBARN CCCCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000002064509 209816068 /nfs/dbraw/zinc/81/60/68/209816068.db2.gz ZYUMFSMRBAQCPU-UHFFFAOYSA-N 0 0 332.331 4.165 50 5 EIBARN CCCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002024692 209812953 /nfs/dbraw/zinc/81/29/53/209812953.db2.gz DARLAJPOADTBNT-UHFFFAOYSA-N 0 0 328.368 4.416 50 5 EIBARN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000040099041 213264511 /nfs/dbraw/zinc/26/45/11/213264511.db2.gz ZEKCMCYLSPARQQ-MRVPVSSYSA-N 0 0 325.777 4.192 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)on1 ZINC000040086803 213260094 /nfs/dbraw/zinc/26/00/94/213260094.db2.gz VFHCQZPFQRGSSI-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000464139 209617125 /nfs/dbraw/zinc/61/71/25/209617125.db2.gz GRMMCKJJJOGQSV-CYBMUJFWSA-N 0 0 328.368 4.126 50 5 EIBARN O=C(Nc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000463952 209616311 /nfs/dbraw/zinc/61/63/11/209616311.db2.gz JXCKNYVQDNGKEX-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN O=C(Nc1cccnc1Oc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000036759552 213117708 /nfs/dbraw/zinc/11/77/08/213117708.db2.gz CDCNVLNWQDNDPN-UHFFFAOYSA-N 0 0 335.319 4.034 50 5 EIBARN O=[N+]([O-])c1cccc(-c2noc(COc3cccc4ccccc43)n2)c1 ZINC000000441073 209601023 /nfs/dbraw/zinc/60/10/23/209601023.db2.gz WHEDPDZXCFTJQK-UHFFFAOYSA-N 0 0 347.330 4.377 50 5 EIBARN O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000000316469 209533318 /nfs/dbraw/zinc/53/33/18/209533318.db2.gz BPFVRAVJQSULDG-UHFFFAOYSA-N 0 0 342.420 4.372 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000000305218 209527082 /nfs/dbraw/zinc/52/70/82/209527082.db2.gz RVUQXXBBWSOMOI-UHFFFAOYSA-N 0 0 327.384 4.002 50 5 EIBARN O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000138305 209445342 /nfs/dbraw/zinc/44/53/42/209445342.db2.gz WPRZWFYFIWYTTL-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 ZINC000000068312 209399854 /nfs/dbraw/zinc/39/98/54/209399854.db2.gz SVRVLEQIKCYHFV-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000025614437 212491105 /nfs/dbraw/zinc/49/11/05/212491105.db2.gz OFSRIRIIKQGFRO-ZIAGYGMSSA-N 0 0 344.436 4.295 50 5 EIBARN COCc1ccc(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000193648940 240251707 /nfs/dbraw/zinc/25/17/07/240251707.db2.gz NGTWZODHISGURY-UHFFFAOYSA-N 0 0 329.356 4.002 50 5 EIBARN Cc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1C(N)=O ZINC000017135829 211955728 /nfs/dbraw/zinc/95/57/28/211955728.db2.gz HHIBMWOWGRQTFY-LNVKXUELSA-N 0 0 328.371 4.226 50 5 EIBARN Cc1ccc(C(C)C)c(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000016902398 211939062 /nfs/dbraw/zinc/93/90/62/211939062.db2.gz QBXITIUYTXMEMW-UHFFFAOYSA-N 0 0 325.368 4.482 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C2SCCS2)cc1 ZINC000015544072 211828834 /nfs/dbraw/zinc/82/88/34/211828834.db2.gz YPQMJIDGAGPALL-UHFFFAOYSA-N 0 0 346.433 4.326 50 5 EIBARN CN(Cc1ccco1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015172128 211806917 /nfs/dbraw/zinc/80/69/17/211806917.db2.gz AUAYPIKXLPKTOZ-UHFFFAOYSA-N 0 0 336.347 4.055 50 5 EIBARN O=C(Nc1noc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012249928 211330319 /nfs/dbraw/zinc/33/03/19/211330319.db2.gz PIHOJQZCHOAUPS-UHFFFAOYSA-N 0 0 349.302 4.248 50 5 EIBARN Cc1ccc(-c2ccc(C(=O)NC3CCCCC3)o2)cc1[N+](=O)[O-] ZINC000011690008 211233214 /nfs/dbraw/zinc/23/32/14/211233214.db2.gz LHCUPGDZYKTLIR-UHFFFAOYSA-N 0 0 328.368 4.226 50 5 EIBARN Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000011246762 211210127 /nfs/dbraw/zinc/21/01/27/211210127.db2.gz WZKXKRGJPPPEFC-UHFFFAOYSA-N 0 0 342.398 4.102 50 5 EIBARN O=[N+]([O-])c1cc(Br)ccc1OC(Cl)(Cl)Cl ZINC000095215657 218282958 /nfs/dbraw/zinc/28/29/58/218282958.db2.gz XDUOBPAPGIJGSB-UHFFFAOYSA-N 0 0 335.368 4.064 50 5 EIBARN CC[C@H](C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 ZINC000008974731 211023811 /nfs/dbraw/zinc/02/38/11/211023811.db2.gz WZXDNFXMAGVNMM-ZDUSSCGKSA-N 0 0 341.392 4.337 50 5 EIBARN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006940573 210748182 /nfs/dbraw/zinc/74/81/82/210748182.db2.gz VWYIPFLLQCSRTN-UHFFFAOYSA-N 0 0 339.178 4.174 50 5 EIBARN CCCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000005094672 210388919 /nfs/dbraw/zinc/38/89/19/210388919.db2.gz CSDYXSVKHQUMET-UHFFFAOYSA-N 0 0 328.368 4.334 50 5 EIBARN Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)c1C ZINC000004994091 210352605 /nfs/dbraw/zinc/35/26/05/210352605.db2.gz LDHBXADUZWNACK-UHFFFAOYSA-N 0 0 338.323 4.412 50 5 aggregator EIBARN COc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004991222 210352709 /nfs/dbraw/zinc/35/27/09/210352709.db2.gz OQFJCSYPKWSDLZ-UHFFFAOYSA-N 0 0 336.347 4.317 50 5 EIBARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004823543 210287990 /nfs/dbraw/zinc/28/79/90/210287990.db2.gz WPAFOBDKLSZORN-ZDUSSCGKSA-N 0 0 328.368 4.126 50 5 EIBARN Cc1nc([N+](=O)[O-])c2n1cc(-c1ccccc1)n2-c1ccc(F)cc1 ZINC000004823882 210287420 /nfs/dbraw/zinc/28/74/20/210287420.db2.gz FMIAKDMWCGDXFJ-UHFFFAOYSA-N 0 0 336.326 4.148 50 5 EIBARN O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3)CC2)c2ccncc21 ZINC000053579116 132188460 /nfs/dbraw/zinc/18/84/60/132188460.db2.gz OLHTUYFADAGUFU-UHFFFAOYSA-N 0 0 348.406 4.224 50 5 EIBARN Cc1cccc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000057731275 132201409 /nfs/dbraw/zinc/20/14/09/132201409.db2.gz VUBIZDTZHJRKJE-KRWDZBQOSA-N 0 0 339.439 4.095 50 5 EIBARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000000452375 135650964 /nfs/dbraw/zinc/65/09/64/135650964.db2.gz JRWQUEBJMZKBRG-UHFFFAOYSA-N 0 0 349.774 4.084 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000160271698 534882664 /nfs/dbraw/zinc/88/26/64/534882664.db2.gz LITGELMUJDGOQC-WBVHZDCISA-N 0 0 339.395 4.026 50 5 EIBARN O=C1NC(=S)SC1=CC(Cl)=Cc1ccc([N+](=O)[O-])cc1 ZINC000102603484 564020405 /nfs/dbraw/zinc/02/04/05/564020405.db2.gz BDSAFOVDXBFDHY-YBMVAOSUSA-N 0 0 326.786 4.047 50 5 EIBARN COCc1cc(C)nc2sc3c4nc5ccccc5n4cnc3c21 ZINC000000081422 563218589 /nfs/dbraw/zinc/21/85/89/563218589.db2.gz XVGSFMUFMJDPFH-UHFFFAOYSA-N 0 0 334.404 4.100 50 5 EIBARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1 ZINC000000138973 563241517 /nfs/dbraw/zinc/24/15/17/563241517.db2.gz PGBJGBZWXNQASJ-UHFFFAOYSA-N 0 0 346.338 4.174 50 5 biogenic EIBARN Cc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(C)c1 ZINC000000312883 563281745 /nfs/dbraw/zinc/28/17/45/563281745.db2.gz CIAVYLDSHFQUQM-UHFFFAOYSA-N 0 0 327.383 4.121 50 5 EIBARN O=c1oc2ccccc2c2nc3ccc(OC(F)(F)F)cc3cc12 ZINC000001046181 563370188 /nfs/dbraw/zinc/37/01/88/563370188.db2.gz HHROWZFNPZJLIA-UHFFFAOYSA-N 0 0 331.249 4.393 50 5 EIBARN COc1ccc(-c2c(N)oc3cc4ccccc4cc3c2=O)cc1OC ZINC000001280714 563382411 /nfs/dbraw/zinc/38/24/11/563382411.db2.gz SOKPLFIXWMGPIO-UHFFFAOYSA-N 0 0 347.370 4.213 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSCc1ccccc1 ZINC000032903149 563790338 /nfs/dbraw/zinc/79/03/38/563790338.db2.gz JTKWCYCXSAJNKW-UHFFFAOYSA-N 0 0 330.409 4.165 50 5 EIBARN Cc1ccc(-c2cc(=O)oc(-c3c[nH]c4ccccc43)n2)cc1[N+](=O)[O-] ZINC000106796564 563919518 /nfs/dbraw/zinc/91/95/18/563919518.db2.gz JQPNEZZGDBUCDZ-UHFFFAOYSA-N 0 0 347.330 4.067 50 5 EIBARN Cc1csc(C2(NCc3ccc([N+](=O)[O-])cc3F)CCCC2)n1 ZINC000096459527 563953988 /nfs/dbraw/zinc/95/39/88/563953988.db2.gz RNEOSRQWNHSOJT-UHFFFAOYSA-N 0 0 335.404 4.058 50 5 EIBARN CN(Cc1cccc2ccccc21)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000097026497 563966756 /nfs/dbraw/zinc/96/67/56/563966756.db2.gz XECHFIVOEUHQGS-YPKPFQOOSA-N 0 0 346.386 4.420 50 5 EIBARN O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000000037578 563967517 /nfs/dbraw/zinc/96/75/17/563967517.db2.gz NZBJCVMLPLPONW-UHFFFAOYSA-N 0 0 330.771 4.379 50 5 EIBARN CCSc1nc2ccccc2n1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000000033231 563967526 /nfs/dbraw/zinc/96/75/26/563967526.db2.gz DKQKBIISIYYZTA-UHFFFAOYSA-N 0 0 343.408 4.113 50 5 EIBARN Cc1ccc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000041789 563968605 /nfs/dbraw/zinc/96/86/05/563968605.db2.gz NFKGYFDXAGGSSZ-UHFFFAOYSA-N 0 0 336.800 4.287 50 5 EIBARN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000082508 563974642 /nfs/dbraw/zinc/97/46/42/563974642.db2.gz SANSDZOSLVQHLX-UHFFFAOYSA-N 0 0 347.270 4.254 50 5 EIBARN Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000000102910 563982185 /nfs/dbraw/zinc/98/21/85/563982185.db2.gz HOYRGXBONKTNCC-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1cc(N(C)Cc2ccsc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858442 563983118 /nfs/dbraw/zinc/98/31/18/563983118.db2.gz ZLOBJAXWLHHOFW-UHFFFAOYSA-N 0 0 340.408 4.058 50 5 EIBARN O=[N+]([O-])c1cccnc1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000060875041 563983676 /nfs/dbraw/zinc/98/36/76/563983676.db2.gz BLEMIPGQKIAHQE-UHFFFAOYSA-N 0 0 347.374 4.204 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000129263 563986747 /nfs/dbraw/zinc/98/67/47/563986747.db2.gz VMWRYROQZCINRM-UHFFFAOYSA-N 0 0 347.802 4.347 50 5 EIBARN CCN1C=C(c2ccc3ccccc3n2)[C@H](C[N+](=O)[O-])c2ccccc21 ZINC000000173042 563987540 /nfs/dbraw/zinc/98/75/40/563987540.db2.gz XTDVPHJOOUEMFX-QGZVFWFLSA-N 0 0 345.402 4.476 50 5 EIBARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000178324 563987590 /nfs/dbraw/zinc/98/75/90/563987590.db2.gz ADUHGNOQZMBVPZ-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)cc1 ZINC000000197564 563988281 /nfs/dbraw/zinc/98/82/81/563988281.db2.gz FBWKITCRUYUZGU-LNVKXUELSA-N 0 0 328.371 4.226 50 5 EIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc2ccccc12 ZINC000000274060 563990077 /nfs/dbraw/zinc/99/00/77/563990077.db2.gz BBOAZFNUDWQDSV-PDGQHHTCSA-N 0 0 344.326 4.093 50 5 EIBARN CN(C)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000076172664 564000720 /nfs/dbraw/zinc/00/07/20/564000720.db2.gz IJJJZBBAFGVAQE-UHFFFAOYSA-N 0 0 342.402 4.101 50 5 EIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000000463327 564000778 /nfs/dbraw/zinc/00/07/78/564000778.db2.gz RTSZKZKQXZJSGX-CMDGGOBGSA-N 0 0 336.269 4.266 50 5 EIBARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000461062 564000831 /nfs/dbraw/zinc/00/08/31/564000831.db2.gz LISHPBONRPBDPB-UHFFFAOYSA-N 0 0 334.759 4.044 50 5 EIBARN CSc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000005299213 564002494 /nfs/dbraw/zinc/00/24/94/564002494.db2.gz OYBLPJROEHOFSM-UHFFFAOYSA-N 0 0 345.405 4.179 50 5 EIBARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000005611911 564006366 /nfs/dbraw/zinc/00/63/66/564006366.db2.gz FQJDFEKTSZIUDP-UHFFFAOYSA-N 0 0 334.759 4.126 50 5 EIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(F)cc1F ZINC000017742853 564012897 /nfs/dbraw/zinc/01/28/97/564012897.db2.gz DDRJHMCNRDZDMA-JTQLQIEISA-N 0 0 335.310 4.098 50 5 EIBARN O=[N+]([O-])c1ccc(Oc2cccn3cc(-c4ccccc4)nc23)nc1 ZINC000000480310 564013875 /nfs/dbraw/zinc/01/38/75/564013875.db2.gz ABQPMJONKGKEHL-UHFFFAOYSA-N 0 0 332.319 4.097 50 5 EIBARN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c2ccncc21 ZINC000005701820 564019477 /nfs/dbraw/zinc/01/94/77/564019477.db2.gz RDXGGFYJMCWUSM-UHFFFAOYSA-N 0 0 332.363 4.279 50 5 EIBARN O=C(Nc1ccccc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000536650 564021473 /nfs/dbraw/zinc/02/14/73/564021473.db2.gz JTRITCZDLWHFGP-UHFFFAOYSA-N 0 0 326.283 4.246 50 5 EIBARN Cc1c(F)cc(C(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000046896487 564025472 /nfs/dbraw/zinc/02/54/72/564025472.db2.gz LHIPPENVQGCFFE-SNVBAGLBSA-N 0 0 336.750 4.187 50 5 EIBARN Nc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1cccc([N+](=O)[O-])c1 ZINC000002508452 564062814 /nfs/dbraw/zinc/06/28/14/564062814.db2.gz SNYRWFKLEFTEER-UHFFFAOYSA-N 0 0 348.284 4.049 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCCCCC1 ZINC000084335149 564067806 /nfs/dbraw/zinc/06/78/06/564067806.db2.gz ZVPWEYCVSQNQTO-UHFFFAOYSA-N 0 0 347.293 4.292 50 5 EIBARN C[C@H](NC(=O)c1occc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000084656328 564069425 /nfs/dbraw/zinc/06/94/25/564069425.db2.gz NSIPFHLJQLJFAV-ZDUSSCGKSA-N 0 0 336.347 4.346 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2ccc(Cn3cccn3)cc2)c(Cl)c1 ZINC000012946453 564079693 /nfs/dbraw/zinc/07/96/93/564079693.db2.gz RZMBJLBDMQMHDG-UHFFFAOYSA-N 0 0 342.786 4.105 50 5 EIBARN COc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000012954015 564080445 /nfs/dbraw/zinc/08/04/45/564080445.db2.gz XWISXHKYGYUYIN-LLVKDONJSA-N 0 0 348.786 4.090 50 5 EIBARN COc1ccc(NC(=O)Oc2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000001590800 564081691 /nfs/dbraw/zinc/08/16/91/564081691.db2.gz YTBBNWGZEHGOMW-UHFFFAOYSA-N 0 0 336.731 4.176 50 5 EIBARN CCCCOc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001777450 564087435 /nfs/dbraw/zinc/08/74/35/564087435.db2.gz PHDHGYQRKHCOOH-VAWYXSNFSA-N 0 0 340.379 4.426 50 5 EIBARN O=C(CCSc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000002627249 564087491 /nfs/dbraw/zinc/08/74/91/564087491.db2.gz IIXNKHOCQMOBID-UHFFFAOYSA-N 0 0 336.800 4.369 50 5 EIBARN Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000006559802 564092068 /nfs/dbraw/zinc/09/20/68/564092068.db2.gz BLQRWTDSFSVGJL-UHFFFAOYSA-N 0 0 340.379 4.122 50 5 EIBARN Cc1ccc(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000002055845 564093470 /nfs/dbraw/zinc/09/34/70/564093470.db2.gz GFKCLQOSJHYJPS-GDNBJRDFSA-N 0 0 340.360 4.144 50 5 EIBARN O=C(Nc1ccc(Cl)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006623609 564094584 /nfs/dbraw/zinc/09/45/84/564094584.db2.gz GNYWGRHDOOUVKS-UHFFFAOYSA-N 0 0 349.749 4.214 50 5 EIBARN CCc1nc2c(c(C)c(C)n2C[C@@H]2CCCO2)c2nc3ccccc3n21 ZINC000006665229 564095628 /nfs/dbraw/zinc/09/56/28/564095628.db2.gz SOPFDJNMGDGEOB-HNNXBMFYSA-N 0 0 348.450 4.195 50 5 EIBARN Cc1cc([N+](=O)[O-])sc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000065514624 564106709 /nfs/dbraw/zinc/10/67/09/564106709.db2.gz CFAYBGZVKPXXRT-UHFFFAOYSA-N 0 0 342.424 4.225 50 5 EIBARN O=[N+]([O-])c1c(N2CCC[C@H](c3ccccc3)CC2)nc2sccn21 ZINC000170620645 564110247 /nfs/dbraw/zinc/11/02/47/564110247.db2.gz CPCYCCVOGWVCFX-AWEZNQCLSA-N 0 0 342.424 4.078 50 5 EIBARN CCc1cccc(C)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC ZINC000017072012 564116344 /nfs/dbraw/zinc/11/63/44/564116344.db2.gz WULUOYPHRHRIAR-UHFFFAOYSA-N 0 0 345.424 4.283 50 5 EIBARN Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)c(C)c1C ZINC000007757863 564122684 /nfs/dbraw/zinc/12/26/84/564122684.db2.gz UIKNOICCWOBNNY-UHFFFAOYSA-N 0 0 331.343 4.229 50 5 EIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(C)on2)cc1 ZINC000007752567 564122693 /nfs/dbraw/zinc/12/26/93/564122693.db2.gz AXHJIUIYNAZSAN-UHFFFAOYSA-N 0 0 340.335 4.146 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2cc[nH]n2)nc1-c1ccccc1 ZINC000241588361 564123168 /nfs/dbraw/zinc/12/31/68/564123168.db2.gz PCKCJNSUOCOEDP-INIZCTEOSA-N 0 0 349.394 4.112 50 5 EIBARN O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 ZINC000007889491 564124442 /nfs/dbraw/zinc/12/44/42/564124442.db2.gz WDPYYMUEIIQNFZ-LJQANCHMSA-N 0 0 345.358 4.366 50 5 EIBARN COc1cc2c(cc1[N+](=O)[O-])[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 ZINC000257357481 564134854 /nfs/dbraw/zinc/13/48/54/564134854.db2.gz OGJQXEWFCAGBJC-IZSNYMMISA-N 0 0 329.396 4.029 50 5 EIBARN Cc1nn([C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000002625944 564151317 /nfs/dbraw/zinc/15/13/17/564151317.db2.gz LANHIEPGJDZVTO-ZDUSSCGKSA-N 0 0 329.400 4.150 50 5 EIBARN CSc1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000003240265 564156446 /nfs/dbraw/zinc/15/64/46/564156446.db2.gz HXKJMFJUJQIJEN-UHFFFAOYSA-N 0 0 337.784 4.327 50 5 EIBARN CCn1c2ccccc2nc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008691855 564166378 /nfs/dbraw/zinc/16/63/78/564166378.db2.gz XNIOGIPUKPQXGK-UHFFFAOYSA-N 0 0 344.352 4.024 50 5 EIBARN Cc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc(O)cc32)cc1 ZINC000004798013 1024799394 /nfs/dbraw/zinc/79/93/94/1024799394.db2.gz GWJHMQLHNMFLKV-ZHACJKMWSA-N 0 0 337.379 4.085 50 5 EIBARN COc1cc(/C=C/c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000006850227 1026764547 /nfs/dbraw/zinc/76/45/47/1026764547.db2.gz HOEHIZLXKVARHG-BQYQJAHWSA-N 0 0 342.376 4.392 50 5 EIBARN CC(=O)Nc1ccc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC000033528205 1047424444 /nfs/dbraw/zinc/42/44/44/1047424444.db2.gz PHBMLUCSAFXOPV-YFHOEESVSA-N 0 0 333.347 4.272 50 5 EIBARN Cc1ccc(-c2cn(-c3ccc([N+](=O)[O-])cc3)c(=N)s2)c(C)c1 ZINC000198717599 1051162177 /nfs/dbraw/zinc/16/21/77/1051162177.db2.gz OQAIWOVYCWBFOB-UHFFFAOYSA-N 0 0 325.393 4.210 50 5 EIBARN Cc1cc2nc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)c3ccccc3n2n1 ZINC000052452276 214129263 /nfs/dbraw/zinc/12/92/63/214129263.db2.gz OSIYNJKFCUOVRE-ZDUSSCGKSA-N 0 0 347.378 4.272 50 5 EIBARN C[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1cccc([N+](=O)[O-])c1 ZINC000052452331 214130236 /nfs/dbraw/zinc/13/02/36/214130236.db2.gz KFNYFMQNZWBRQJ-SNVBAGLBSA-N 0 0 345.428 4.170 50 5 EIBARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004712915 210255913 /nfs/dbraw/zinc/25/59/13/210255913.db2.gz JASFOXHVNUFGLY-PRHODGIISA-N 0 0 329.183 4.125 50 5 EIBARN COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000004696450 210250844 /nfs/dbraw/zinc/25/08/44/210250844.db2.gz JIVHGZWHXROQGE-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000058407131 214576778 /nfs/dbraw/zinc/57/67/78/214576778.db2.gz VSXCWKCNYIHHSK-CYBMUJFWSA-N 0 0 333.731 4.256 50 5 EIBARN Cc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)sc2=N)c(C)c1 ZINC000004531058 210215568 /nfs/dbraw/zinc/21/55/68/210215568.db2.gz LTOQRVWTZSADCQ-UHFFFAOYSA-N 0 0 325.393 4.210 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000004506716 210207952 /nfs/dbraw/zinc/20/79/52/210207952.db2.gz ZKWNYLOUUWKMAI-IZZDOVSWSA-N 0 0 340.379 4.379 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)s1 ZINC000064029292 214778104 /nfs/dbraw/zinc/77/81/04/214778104.db2.gz JOOWBWCEBBYFIT-UHFFFAOYSA-N 0 0 340.788 4.083 50 5 EIBARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000004173276 210137666 /nfs/dbraw/zinc/13/76/66/210137666.db2.gz OYVQTRILTPQRGA-CMDGGOBGSA-N 0 0 336.269 4.266 50 5 EIBARN CCOc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000004140787 210130975 /nfs/dbraw/zinc/13/09/75/210130975.db2.gz HDJYKSUFZMINBY-VQHVLOKHSA-N 0 0 336.347 4.418 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000004070844 210112240 /nfs/dbraw/zinc/11/22/40/210112240.db2.gz KKRPQHXGTOCDCX-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN C[C@@H]1C[C@@H](C)CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000004063438 210112254 /nfs/dbraw/zinc/11/22/54/210112254.db2.gz DPRAFSUVXUZUOC-RKDXNWHRSA-N 0 0 347.293 4.004 50 5 EIBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccccc21 ZINC000004014319 210100707 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C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000012909204 564077889 /nfs/dbraw/zinc/07/78/89/564077889.db2.gz SKHUZTJOPHONEI-JTQLQIEISA-N 0 0 330.365 4.236 50 5 EIBARN Cc1cc2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C ZINC000000045564 564082350 /nfs/dbraw/zinc/08/23/50/564082350.db2.gz JPJSQVJKXLNGQC-UHFFFAOYSA-N 0 0 341.392 4.063 50 5 EIBARN O=[N+]([O-])c1ccc2sc(SCc3cn4ccsc4n3)nc2c1 ZINC000001770776 564087455 /nfs/dbraw/zinc/08/74/55/564087455.db2.gz ZFUFXXDEPJRMAM-UHFFFAOYSA-N 0 0 348.434 4.206 50 5 EIBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccoc1Cl ZINC000192394475 564090145 /nfs/dbraw/zinc/09/01/45/564090145.db2.gz WRGABTSEMRFMNM-UHFFFAOYSA-N 0 0 349.755 4.217 50 5 EIBARN O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccco1 ZINC000006660584 564095550 /nfs/dbraw/zinc/09/55/50/564095550.db2.gz QGXCAKDOFKDPQT-UHFFFAOYSA-N 0 0 339.734 4.445 50 5 EIBARN Cc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 ZINC000006852567 564099614 /nfs/dbraw/zinc/09/96/14/564099614.db2.gz 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O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004701029 210253206 /nfs/dbraw/zinc/25/32/06/210253206.db2.gz BKJZGPITMIGKDA-UHFFFAOYSA-N 0 0 330.771 4.079 50 5 EIBARN CCCCN(Cc1ccccc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000004699346 210252576 /nfs/dbraw/zinc/25/25/76/210252576.db2.gz VCZOWHAKXSZERP-UHFFFAOYSA-N 0 0 342.395 4.046 50 5 EIBARN O=[N+]([O-])c1cccc(-c2cn3nc(-c4ccccc4F)sc3n2)c1 ZINC000004678775 210244817 /nfs/dbraw/zinc/24/48/17/210244817.db2.gz PLEJUYMYRRCNHY-UHFFFAOYSA-N 0 0 340.339 4.172 50 5 EIBARN Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000004678260 210244133 /nfs/dbraw/zinc/24/41/33/210244133.db2.gz NBQFXJCLTFWXEV-UHFFFAOYSA-N 0 0 336.326 4.054 50 5 EIBARN O=[N+]([O-])c1cc(F)ccc1Nc1ccc(Oc2cnccn2)cc1 ZINC000058077502 214477569 /nfs/dbraw/zinc/47/75/69/214477569.db2.gz ZTHYVUBRDDMACN-UHFFFAOYSA-N 0 0 326.287 4.060 50 5 EIBARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004531904 210214696 /nfs/dbraw/zinc/21/46/96/210214696.db2.gz 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COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2C)cc1SC ZINC000069433719 215412153 /nfs/dbraw/zinc/41/21/53/215412153.db2.gz JAYMWTBTZHVTAC-UHFFFAOYSA-N 0 0 346.408 4.194 50 5 EIBARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000613986 209678928 /nfs/dbraw/zinc/67/89/28/209678928.db2.gz YWMCRLBAWMDQNF-UHFFFAOYSA-N 0 0 334.759 4.126 50 5 EIBARN O=[N+]([O-])c1ccc(-c2noc(COc3cccc4ccccc43)n2)cc1 ZINC000000441101 209601811 /nfs/dbraw/zinc/60/18/11/209601811.db2.gz OJTGKIAOADZNMU-UHFFFAOYSA-N 0 0 347.330 4.377 50 5 EIBARN CN(Cc1ccsc1)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000035123753 213009921 /nfs/dbraw/zinc/00/99/21/213009921.db2.gz UWQMLZJFLPOFTG-UHFFFAOYSA-N 0 0 345.207 4.235 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000262060 209507836 /nfs/dbraw/zinc/50/78/36/209507836.db2.gz LEAPIHRFYICYKA-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN COc1cccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)c1 ZINC000000226494 209497194 /nfs/dbraw/zinc/49/71/94/209497194.db2.gz 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CCOC(=O)c1cnc2ccccc2c1Nc1cccc([N+](=O)[O-])c1 ZINC000000098405 563976495 /nfs/dbraw/zinc/97/64/95/563976495.db2.gz MTKZJYMABBOSHX-UHFFFAOYSA-N 0 0 337.335 4.063 50 5 EIBARN O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102826 563982174 /nfs/dbraw/zinc/98/21/74/563982174.db2.gz CATGXPLYYFNBHS-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)[C@H](C)[N+](=O)[O-] ZINC000000121959 563986814 /nfs/dbraw/zinc/98/68/14/563986814.db2.gz HBTJDPLUCRBUDO-BUXKBTBVSA-N 0 0 338.363 4.002 50 5 EIBARN CN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21 ZINC000000173005 563987561 /nfs/dbraw/zinc/98/75/61/563987561.db2.gz OBLCUUGXPIDEBD-INIZCTEOSA-N 0 0 331.375 4.086 50 5 EIBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000000175491 563987639 /nfs/dbraw/zinc/98/76/39/563987639.db2.gz QRBIJSYPOGQVIT-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2s1 ZINC000000193962 563988196 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Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000000313087 563990908 /nfs/dbraw/zinc/99/09/08/563990908.db2.gz BGQFLYIXCGLVPI-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CCC(CC)n1ncc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC000408517718 563992914 /nfs/dbraw/zinc/99/29/14/563992914.db2.gz QJEOQTOWUPZXAQ-UHFFFAOYSA-N 0 0 344.415 4.330 50 5 EIBARN CC1CCN(c2ccc(NC(=O)c3cccs3)cc2[N+](=O)[O-])CC1 ZINC000004998323 563993697 /nfs/dbraw/zinc/99/36/97/563993697.db2.gz GOSDUDGMNFYARX-UHFFFAOYSA-N 0 0 345.424 4.145 50 5 EIBARN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC000000451369 563999819 /nfs/dbraw/zinc/99/98/19/563999819.db2.gz RJSJWICKNDQBQC-UHFFFAOYSA-N 0 0 338.722 4.038 50 5 EIBARN O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000000466819 564000724 /nfs/dbraw/zinc/00/07/24/564000724.db2.gz IUPZIQHWHXEKMN-UHFFFAOYSA-N 0 0 326.135 4.259 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000005249107 564001399 /nfs/dbraw/zinc/00/13/99/564001399.db2.gz 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Cc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2n1 ZINC000001423712 564066284 /nfs/dbraw/zinc/06/62/84/564066284.db2.gz NIPQFZUQHLWISL-UHFFFAOYSA-N 0 0 332.319 4.168 50 5 EIBARN O=C(Nc1ccc(F)cc1NC1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000084344423 564067855 /nfs/dbraw/zinc/06/78/55/564067855.db2.gz OFZWISHFSDFTQY-UHFFFAOYSA-N 0 0 349.749 4.214 50 5 EIBARN CC(C)[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccs1 ZINC000084456448 564068209 /nfs/dbraw/zinc/06/82/09/564068209.db2.gz PNFIOSUYTLAHSM-HNNXBMFYSA-N 0 0 343.408 4.265 50 5 EIBARN Cc1ccc([C@@H]2CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000087297196 564068698 /nfs/dbraw/zinc/06/86/98/564068698.db2.gz YJQPWRPOTKWJLO-INIZCTEOSA-N 0 0 344.436 4.261 50 5 EIBARN C[C@H](CN(C)c1ccccc1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000084638239 564069282 /nfs/dbraw/zinc/06/92/82/564069282.db2.gz BUCWWGDLHJEVSX-CQSZACIVSA-N 0 0 336.395 4.080 50 5 EIBARN CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001688052 564082267 /nfs/dbraw/zinc/08/22/67/564082267.db2.gz CQNRIZSMYOSPOV-UHFFFAOYSA-N 0 0 337.162 4.431 50 5 EIBARN Cc1ccc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000063892159 564083048 /nfs/dbraw/zinc/08/30/48/564083048.db2.gz NLPBDGJGOYUGOX-UHFFFAOYSA-N 0 0 340.379 4.022 50 5 EIBARN CC(=O)c1ccc(NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1 ZINC000089292177 564089478 /nfs/dbraw/zinc/08/94/78/564089478.db2.gz HZOHRNRHJJDGIC-UHFFFAOYSA-N 0 0 337.335 4.065 50 5 EIBARN Cc1cc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2cc1C ZINC000006690879 564096090 /nfs/dbraw/zinc/09/60/90/564096090.db2.gz SSFBWNQCASSJHF-UHFFFAOYSA-N 0 0 341.392 4.382 50 5 EIBARN C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cc2ccccc2o1 ZINC000065512053 564106733 /nfs/dbraw/zinc/10/67/33/564106733.db2.gz CYZASYHQTYVRCW-LLVKDONJSA-N 0 0 349.346 4.313 50 5 EIBARN COc1ccc(C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000007475143 564108769 /nfs/dbraw/zinc/10/87/69/564108769.db2.gz JYAXBGQZQTUPEY-UHFFFAOYSA-N 0 0 342.376 4.379 50 5 EIBARN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007475044 564108791 /nfs/dbraw/zinc/10/87/91/564108791.db2.gz BEGIVBQSOCRZAW-LBPRGKRZSA-N 0 0 346.408 4.031 50 5 EIBARN O=[N+]([O-])c1c(N2CCC[C@@H](c3ccccc3)CC2)nc2sccn21 ZINC000170620644 564110252 /nfs/dbraw/zinc/11/02/52/564110252.db2.gz CPCYCCVOGWVCFX-CQSZACIVSA-N 0 0 342.424 4.078 50 5 EIBARN O=C1NC(=S)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000016995369 564115975 /nfs/dbraw/zinc/11/59/75/564115975.db2.gz GFDDVTZJRDWAAV-GHXNOFRVSA-N 0 0 332.362 4.184 50 5 EIBARN CC(=O)c1cc(N[C@@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] ZINC000252495837 564119674 /nfs/dbraw/zinc/11/96/74/564119674.db2.gz PCRWNDZJUMCWAD-OAHLLOKOSA-N 0 0 331.397 4.126 50 5 EIBARN CC(=O)c1cc(N[C@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] ZINC000252495836 564119683 /nfs/dbraw/zinc/11/96/83/564119683.db2.gz PCRWNDZJUMCWAD-HNNXBMFYSA-N 0 0 331.397 4.126 50 5 EIBARN COc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Br ZINC000082046488 564135522 /nfs/dbraw/zinc/13/55/22/564135522.db2.gz XHOKWZYROYEDKE-UHFFFAOYSA-N 0 0 329.194 4.111 50 5 EIBARN Cc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000012974975 564135745 /nfs/dbraw/zinc/13/57/45/564135745.db2.gz LPPHSXDRKPZPPA-AWEZNQCLSA-N 0 0 346.383 4.009 50 5 EIBARN Cc1oc(-c2ccccc2)nc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000390833131 564138731 /nfs/dbraw/zinc/13/87/31/564138731.db2.gz CNHMAPIHCCWTCV-CYBMUJFWSA-N 0 0 337.379 4.409 50 5 EIBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccs1 ZINC000002843874 564152808 /nfs/dbraw/zinc/15/28/08/564152808.db2.gz SKZKYOWFINDQHO-UHFFFAOYSA-N 0 0 331.378 4.032 50 5 EIBARN Cc1cccc(Oc2cc(NC(=O)c3ccncc3)cc([N+](=O)[O-])c2)c1 ZINC000002908799 564153021 /nfs/dbraw/zinc/15/30/21/564153021.db2.gz MKQWUNGBOVVDFZ-UHFFFAOYSA-N 0 0 349.346 4.343 50 5 EIBARN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(Br)cc1 ZINC000003296750 564157147 /nfs/dbraw/zinc/15/71/47/564157147.db2.gz WBEZFUUESLEDAL-HNNXBMFYSA-N 0 0 345.196 4.339 50 5 EIBARN O=C(Cc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1 ZINC000003296370 564157164 /nfs/dbraw/zinc/15/71/64/564157164.db2.gz WWYJDQTVQWLUTQ-UHFFFAOYSA-N 0 0 340.162 4.188 50 5 EIBARN Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2cccnc12 ZINC000058421372 564159111 /nfs/dbraw/zinc/15/91/11/564159111.db2.gz NIJOBKBGXUFMTQ-UHFFFAOYSA-N 0 0 346.346 4.185 50 5 EIBARN Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000008687968 564166354 /nfs/dbraw/zinc/16/63/54/564166354.db2.gz UCNNLUFXUJQOTI-UHFFFAOYSA-N 0 0 343.166 4.063 50 5 EIBARN Cc1c(NC(=O)N2CCC[C@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000015837641 1029117183 /nfs/dbraw/zinc/11/71/83/1029117183.db2.gz IVUDWDRCWGKESE-AWEZNQCLSA-N 0 0 331.397 4.334 50 5 EIBARN O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)nc2C(F)(F)F)nc1 ZINC000170612970 1036705588 /nfs/dbraw/zinc/70/55/88/1036705588.db2.gz BMMFZMFPMRXNDF-HNQUOIGGSA-N 0 0 329.665 4.227 50 5 EIBARN C[C@H]1CCCCN1C(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004542696 210218374 /nfs/dbraw/zinc/21/83/74/210218374.db2.gz AJJYHMXMDOUONT-AWEZNQCLSA-N 0 0 342.395 4.188 50 5 EIBARN CC(C)=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000100528308 219100929 /nfs/dbraw/zinc/10/09/29/219100929.db2.gz BADZDOFTSTWFOC-UHFFFAOYSA-N 0 0 341.279 4.233 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000004426333 210190878 /nfs/dbraw/zinc/19/08/78/210190878.db2.gz WJGBLBSCHKSPFU-MFKMUULPSA-N 0 0 343.210 4.433 50 5 EIBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004339799 210175660 /nfs/dbraw/zinc/17/56/60/210175660.db2.gz LUEOBPHMLCEAPB-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN CC(C)Oc1ccc(CC[C@H](C)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000048289779 213913493 /nfs/dbraw/zinc/91/34/93/213913493.db2.gz FBXYTECKAOFGBB-AWEZNQCLSA-N 0 0 329.400 4.210 50 5 EIBARN CCCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004043977 210108033 /nfs/dbraw/zinc/10/80/33/210108033.db2.gz CNOKULLMWOOYKJ-FMIVXFBMSA-N 0 0 326.352 4.036 50 5 EIBARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004016810 210100521 /nfs/dbraw/zinc/10/05/21/210100521.db2.gz VXOZEHBONIJFQO-JQWIXIFHSA-N 0 0 329.183 4.125 50 5 aggregator EIBARN O=C(Nc1nc2ccccc2c2nc3ccccc3n21)c1ccccc1 ZINC000003893411 210085556 /nfs/dbraw/zinc/08/55/56/210085556.db2.gz JLTNUHKVVOHAFH-UHFFFAOYSA-N 0 0 338.370 4.288 50 5 EIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl ZINC000003319342 210005777 /nfs/dbraw/zinc/00/57/77/210005777.db2.gz ABXCPTUGULWJDT-UHFFFAOYSA-N 0 0 326.135 4.259 50 5 EIBARN COc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000003317462 210005417 /nfs/dbraw/zinc/00/54/17/210005417.db2.gz MVOPANXBSAYEQS-UHFFFAOYSA-N 0 0 327.365 4.471 50 5 EIBARN CO[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000040051152 213255038 /nfs/dbraw/zinc/25/50/38/213255038.db2.gz GZILJAGCXHFHKQ-OAHLLOKOSA-N 0 0 340.301 4.413 50 5 EIBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CCCCC1 ZINC000000473791 209624793 /nfs/dbraw/zinc/62/47/93/209624793.db2.gz KFFOYHGMFHDRJH-UHFFFAOYSA-N 0 0 331.397 4.237 50 5 EIBARN Cc1cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000000466073 209618001 /nfs/dbraw/zinc/61/80/01/209618001.db2.gz ALEYJIBXBLISNL-GFCCVEGCSA-N 0 0 348.786 4.271 50 5 EIBARN O=C(Nc1ccc(Cl)cn1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000449965 209608124 /nfs/dbraw/zinc/60/81/24/209608124.db2.gz ABABYKGHZGMNFO-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccc(O)c1 ZINC000070039241 215669233 /nfs/dbraw/zinc/66/92/33/215669233.db2.gz XKSNXXFTNGCVQC-CYBMUJFWSA-N 0 0 343.383 4.224 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2ccc(Cn3ccnc3)cc2)c(Cl)c1 ZINC000032855850 212857517 /nfs/dbraw/zinc/85/75/17/212857517.db2.gz ANTGZBNIGMXXCV-UHFFFAOYSA-N 0 0 342.786 4.105 50 5 EIBARN CCOc1ccc(CN(C)c2ccc([N+](=O)[O-])c(OCC)c2)cc1 ZINC000072307762 216145637 /nfs/dbraw/zinc/14/56/37/216145637.db2.gz ZGIXZOMWWNRHAD-UHFFFAOYSA-N 0 0 330.384 4.029 50 5 EIBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1 ZINC000000195611 209477289 /nfs/dbraw/zinc/47/72/89/209477289.db2.gz YPAWOBODKDVGSO-ATJXCDBQSA-N 0 0 332.334 4.056 50 5 EIBARN Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000127348 209437807 /nfs/dbraw/zinc/43/78/07/209437807.db2.gz CQNURRIMLPJOLT-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(F)cc1 ZINC000000047732 209389263 /nfs/dbraw/zinc/38/92/63/209389263.db2.gz AUFSCLYWHORMCV-UHFFFAOYSA-N 0 0 334.302 4.305 50 5 EIBARN O=C(Nc1ccccc1)c1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 ZINC000192524817 239762866 /nfs/dbraw/zinc/76/28/66/239762866.db2.gz AYJVXALAIPSQMR-UHFFFAOYSA-N 0 0 341.348 4.096 50 5 EIBARN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000023152105 212356063 /nfs/dbraw/zinc/35/60/63/212356063.db2.gz LVKYDMRGVVVDLS-JXOMPUQVSA-N 0 0 336.391 4.144 50 5 EIBARN Cc1ccc([N+](=O)[O-])c(OCc2noc(-c3ccccc3Cl)n2)c1 ZINC000023006810 212341571 /nfs/dbraw/zinc/34/15/71/212341571.db2.gz ITXSGZSGELWGPT-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN O=C(N1CCCc2cc([N+](=O)[O-])ccc21)C12CC3CC(CC(C3)C1)C2 ZINC000226794847 242114727 /nfs/dbraw/zinc/11/47/27/242114727.db2.gz HSTLRLSOKAXRIS-UHFFFAOYSA-N 0 0 340.423 4.090 50 5 EIBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000012564866 211412104 /nfs/dbraw/zinc/41/21/04/211412104.db2.gz XKYKHJZHQYKYBH-UHFFFAOYSA-N 0 0 333.775 4.079 50 5 EIBARN CC(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012516966 211396553 /nfs/dbraw/zinc/39/65/53/211396553.db2.gz VCGLYYJADSNVAE-NWDGAFQWSA-N 0 0 330.306 4.330 50 5 EIBARN Cc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000009456432 211085337 /nfs/dbraw/zinc/08/53/37/211085337.db2.gz UMWNNFQSSZDIRI-UHFFFAOYSA-N 0 0 340.257 4.054 50 5 EIBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000009426685 211082408 /nfs/dbraw/zinc/08/24/08/211082408.db2.gz AAHCWEXUDYIAIO-UHFFFAOYSA-N 0 0 336.800 4.120 50 5 EIBARN CCOc1cc(NCc2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC ZINC000009220538 211054536 /nfs/dbraw/zinc/05/45/36/211054536.db2.gz XKRZOHABZBEZIZ-UHFFFAOYSA-N 0 0 346.383 4.013 50 5 EIBARN O=[N+]([O-])c1cccc(Br)c1OC(Cl)(Cl)Cl ZINC000095215527 218282516 /nfs/dbraw/zinc/28/25/16/218282516.db2.gz USGLFMSHUASFRY-UHFFFAOYSA-N 0 0 335.368 4.064 50 5 EIBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc21 ZINC000005107710 210391990 /nfs/dbraw/zinc/39/19/90/210391990.db2.gz WZGONQBYSXYNLG-CYBMUJFWSA-N 0 0 336.347 4.154 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005065235 210381950 /nfs/dbraw/zinc/38/19/50/210381950.db2.gz GCRBZVLJSBYNQM-UHFFFAOYSA-N 0 0 344.411 4.148 50 5 EIBARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000005068188 210381267 /nfs/dbraw/zinc/38/12/67/210381267.db2.gz XJAWMYACQNFPAE-UHFFFAOYSA-N 0 0 328.221 4.005 50 5 EIBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1 ZINC000004873062 210310460 /nfs/dbraw/zinc/31/04/60/210310460.db2.gz PFNLEWWRISNQMD-UHFFFAOYSA-N 0 0 327.384 4.002 50 5 EIBARN COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000004844197 210297915 /nfs/dbraw/zinc/29/79/15/210297915.db2.gz STGCTENPWULGTQ-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004795697 210280068 /nfs/dbraw/zinc/28/00/68/210280068.db2.gz IGMXWXPYSWNDKP-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CCc1ccc(NC(=O)c2c(C)c([N+](=O)[O-])c(C)nc2Cl)cc1 ZINC000004754004 210270078 /nfs/dbraw/zinc/27/00/78/210270078.db2.gz JPVQAWMZMNOPET-UHFFFAOYSA-N 0 0 333.775 4.075 50 5 EIBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccsc1 ZINC000263587161 257841890 /nfs/dbraw/zinc/84/18/90/257841890.db2.gz CWXFVMCMFWKABO-UHFFFAOYSA-N 0 0 337.360 4.007 50 5 EIBARN COc1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000073649 258047392 /nfs/dbraw/zinc/04/73/92/258047392.db2.gz OYOYYUCWNWMBAL-UHFFFAOYSA-N 0 0 327.365 4.471 50 5 EIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 ZINC000000436586 563999300 /nfs/dbraw/zinc/99/93/00/563999300.db2.gz YAYWRMKHIRURJQ-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN CC[C@H](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000032714764 563696647 /nfs/dbraw/zinc/69/66/47/563696647.db2.gz UJLCRPPJEKUJDI-SCLBCKFNSA-N 0 0 342.395 4.372 50 5 EIBARN CC[C@@H](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000032714766 563696684 /nfs/dbraw/zinc/69/66/84/563696684.db2.gz UJLCRPPJEKUJDI-ACJLOTCBSA-N 0 0 342.395 4.372 50 5 EIBARN Cc1sc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] ZINC000032818736 563751537 /nfs/dbraw/zinc/75/15/37/563751537.db2.gz WAZLYSMUJNEURG-UHFFFAOYSA-N 0 0 343.364 4.236 50 5 EIBARN CC(C)c1nc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2o1 ZINC000032818776 563752099 /nfs/dbraw/zinc/75/20/99/563752099.db2.gz GBANTSUHCRQVDG-UHFFFAOYSA-N 0 0 339.351 4.041 50 5 EIBARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000041382 563968622 /nfs/dbraw/zinc/96/86/22/563968622.db2.gz JCJDOVRWIBXGDE-CMPLNLGQSA-N 0 0 329.183 4.125 50 5 EIBARN CCC(CC)c1nnc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000033290840 563973022 /nfs/dbraw/zinc/97/30/22/563973022.db2.gz TYTRLMRGQHWINE-HJWRWDBZSA-N 0 0 346.412 4.002 50 5 EIBARN O=c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2cc(Cl)ccc12 ZINC000000084713 563975035 /nfs/dbraw/zinc/97/50/35/563975035.db2.gz FORAPWLDSZAHSS-UHFFFAOYSA-N 0 0 337.118 4.070 50 5 EIBARN Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C(C)C ZINC000000137281 563986908 /nfs/dbraw/zinc/98/69/08/563986908.db2.gz WCZFWSDCGPYHFZ-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN CCC(CC)c1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000000151152 563987380 /nfs/dbraw/zinc/98/73/80/563987380.db2.gz TYTRLMRGQHWINE-CMDGGOBGSA-N 0 0 346.412 4.002 50 5 EIBARN CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000000193519 563988217 /nfs/dbraw/zinc/98/82/17/563988217.db2.gz SGZFOQLOTCFZAV-UHFFFAOYSA-N 0 0 345.405 4.179 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000000242480 563989163 /nfs/dbraw/zinc/98/91/63/563989163.db2.gz YYUYGTPETXKVAA-UHFFFAOYSA-N 0 0 332.359 4.365 50 5 EIBARN O=c1c2ccccc2c2cc3nc4ccccc4c(=O)n3c3cccc1c23 ZINC000000245755 563989232 /nfs/dbraw/zinc/98/92/32/563989232.db2.gz 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Cc1c(CNc2ccccc2[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000272158212 564007209 /nfs/dbraw/zinc/00/72/09/564007209.db2.gz WXRCKPDVFZYUGH-HNNXBMFYSA-N 0 0 340.301 4.111 50 5 EIBARN Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000566976 564023236 /nfs/dbraw/zinc/02/32/36/564023236.db2.gz NOEJTSJSLRQJRX-UHFFFAOYSA-N 0 0 336.800 4.287 50 5 EIBARN Cc1cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3C)nc2c(C)c1 ZINC000000570483 564023711 /nfs/dbraw/zinc/02/37/11/564023711.db2.gz ZPYUSBIHRZOIMB-UHFFFAOYSA-N 0 0 341.392 4.382 50 5 EIBARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000000587303 564024566 /nfs/dbraw/zinc/02/45/66/564024566.db2.gz JBDFMPFWMSFMNR-UHFFFAOYSA-N 0 0 346.342 4.078 50 5 EIBARN O=[N+]([O-])c1cc(F)ccc1Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000048260797 564030315 /nfs/dbraw/zinc/03/03/15/564030315.db2.gz JMPOMTRAYRALNC-OAHLLOKOSA-N 0 0 332.331 4.035 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000001231218 564061097 /nfs/dbraw/zinc/06/10/97/564061097.db2.gz 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564111242 /nfs/dbraw/zinc/11/12/42/564111242.db2.gz PXOWDLIHSPDZHA-UHFFFAOYSA-N 0 0 342.376 4.034 50 5 EIBARN Cc1ccc([N+](=O)[O-])c(OCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000089623897 564112736 /nfs/dbraw/zinc/11/27/36/564112736.db2.gz SOYUFXIAZCJBJS-KRWDZBQOSA-N 0 0 343.379 4.040 50 5 EIBARN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000089780817 564113701 /nfs/dbraw/zinc/11/37/01/564113701.db2.gz KLTRDCMDMJJLCG-KRWDZBQOSA-N 0 0 344.798 4.154 50 5 EIBARN CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000089856525 564114401 /nfs/dbraw/zinc/11/44/01/564114401.db2.gz NUXDFCKQMLDSJK-LBPRGKRZSA-N 0 0 332.425 4.346 50 5 EIBARN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1nc(C3CC3)cs1)CCC2 ZINC000193025150 564116322 /nfs/dbraw/zinc/11/63/22/564116322.db2.gz LSXAUENTVIYWMI-OAHLLOKOSA-N 0 0 329.425 4.096 50 5 EIBARN O=[N+]([O-])c1ccc(/C=C/c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000002170536 564120620 /nfs/dbraw/zinc/12/06/20/564120620.db2.gz UIOZTMIQIHGMAX-SNAWJCMRSA-N 0 0 349.140 4.436 50 5 EIBARN CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004795121 564128967 /nfs/dbraw/zinc/12/89/67/564128967.db2.gz CREIKWKXHOSYQR-UHFFFAOYSA-N 0 0 333.731 4.095 50 5 EIBARN CCCSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000007942503 564135346 /nfs/dbraw/zinc/13/53/46/564135346.db2.gz QPOPLZPHCFDSPY-UHFFFAOYSA-N 0 0 327.409 4.495 50 5 EIBARN NC(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000002638861 564151652 /nfs/dbraw/zinc/15/16/52/564151652.db2.gz OJIMBQZUDQPOKN-UHFFFAOYSA-N 0 0 334.331 4.153 50 5 EIBARN Cc1c2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2ccc1Cl ZINC000002723860 564152225 /nfs/dbraw/zinc/15/22/25/564152225.db2.gz LUHDHFVEMGEDRY-UHFFFAOYSA-N 0 0 337.744 4.012 50 5 EIBARN O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000003129762 564155279 /nfs/dbraw/zinc/15/52/79/564155279.db2.gz GCPJNIAAOILCJX-UHFFFAOYSA-N 0 0 339.372 4.095 50 5 EIBARN CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)C(C)C ZINC000030635593 564157275 /nfs/dbraw/zinc/15/72/75/564157275.db2.gz 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ZINC000004733724 210264831 /nfs/dbraw/zinc/26/48/31/210264831.db2.gz LYEWFFIVWWQBIQ-OAHLLOKOSA-N 0 0 336.284 4.191 50 5 EIBARN CCOc1ccc(OCCCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000004702028 210253922 /nfs/dbraw/zinc/25/39/22/210253922.db2.gz UZLQZBAJLPXGFC-UHFFFAOYSA-N 0 0 331.368 4.232 50 5 EIBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004647167 210237540 /nfs/dbraw/zinc/23/75/40/210237540.db2.gz XGAICCNEQMTUON-UHFFFAOYSA-N 0 0 337.335 4.119 50 5 EIBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1F ZINC000004637316 210234517 /nfs/dbraw/zinc/23/45/17/210234517.db2.gz BPENKDSHPBUBIH-UHFFFAOYSA-N 0 0 332.334 4.457 50 5 EIBARN O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 ZINC000004542635 210217890 /nfs/dbraw/zinc/21/78/90/210217890.db2.gz MPAKGCHGSXROIT-UHFFFAOYSA-N 0 0 336.347 4.426 50 5 EIBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)OCc1nc2ccccc2s1 ZINC000004079253 210115356 /nfs/dbraw/zinc/11/53/56/210115356.db2.gz UXJKJYVVPBJLJE-SOFGYWHQSA-N 0 0 346.389 4.023 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000045951116 213768415 /nfs/dbraw/zinc/76/84/15/213768415.db2.gz NCRUTQATRFIYTG-QGZVFWFLSA-N 0 0 340.383 4.139 50 5 EIBARN Cc1ccc(C(c2ccc(C)o2)c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000003850588 210080730 /nfs/dbraw/zinc/08/07/30/210080730.db2.gz HVSNILJHDDDQRP-UHFFFAOYSA-N 0 0 341.319 4.307 50 5 EIBARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003473589 210048532 /nfs/dbraw/zinc/04/85/32/210048532.db2.gz INMDBSVTEFKWIY-UHFFFAOYSA-N 0 0 332.359 4.438 50 5 EIBARN O=[N+]([O-])c1ccc(Cl)c(NC(=S)Nc2ccc(F)cc2F)c1 ZINC000003414828 210032950 /nfs/dbraw/zinc/03/29/50/210032950.db2.gz FOJKGYGBOPEWIT-UHFFFAOYSA-N 0 0 343.742 4.335 50 5 EIBARN Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1c(F)cccc1Cl ZINC000003207285 209977759 /nfs/dbraw/zinc/97/77/59/209977759.db2.gz QIWKQHQOTPQNNX-ZDUSSCGKSA-N 0 0 332.762 4.449 50 5 EIBARN CC(=O)[C@H](C)Oc1cccc2c1ccc1c3c(c(=O)oc21)CCCC3 ZINC000002873825 209932835 /nfs/dbraw/zinc/93/28/35/209932835.db2.gz 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ZINC000000463690 209616281 /nfs/dbraw/zinc/61/62/81/209616281.db2.gz UOLDPTBKSABMSN-UHFFFAOYSA-N 0 0 339.395 4.146 50 5 EIBARN Cc1nc2cc(Cl)ccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032796882 212844250 /nfs/dbraw/zinc/84/42/50/212844250.db2.gz HOUIPJTWAHTZOK-UHFFFAOYSA-N 0 0 341.754 4.357 50 5 EIBARN Cc1ccc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2n1 ZINC000000297324 209523088 /nfs/dbraw/zinc/52/30/88/209523088.db2.gz JIORIYHPPGQDNA-UHFFFAOYSA-N 0 0 342.738 4.324 50 5 EIBARN Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000271550 209513602 /nfs/dbraw/zinc/51/36/02/209513602.db2.gz PCYLDNPMCDDEGE-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000000266733 209510854 /nfs/dbraw/zinc/51/08/54/209510854.db2.gz GYZIJDSQMMANKN-UHFFFAOYSA-N 0 0 347.374 4.141 50 5 EIBARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000231989 209496534 /nfs/dbraw/zinc/49/65/34/209496534.db2.gz CQXRHDJMSMHLGN-AWEZNQCLSA-N 0 0 339.395 4.427 50 5 EIBARN O=[N+]([O-])c1ccccc1Sc1c(-c2ccccc2)nc2ncccn21 ZINC000000189836 209472551 /nfs/dbraw/zinc/47/25/51/209472551.db2.gz NHLDIMZUGKCNGL-UHFFFAOYSA-N 0 0 348.387 4.456 50 5 EIBARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000180226 209467204 /nfs/dbraw/zinc/46/72/04/209467204.db2.gz NMBUCJVYEDLZAM-INIZCTEOSA-N 0 0 348.811 4.335 50 5 EIBARN CCOc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OCC ZINC000000091559 209414904 /nfs/dbraw/zinc/41/49/04/209414904.db2.gz HGMABLHBLUHIHZ-IBGZPJMESA-N 0 0 341.363 4.235 50 5 EIBARN Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1 ZINC000000069235 209399910 /nfs/dbraw/zinc/39/99/10/209399910.db2.gz CMYGWHJLBFTZJO-UHFFFAOYSA-N 0 0 325.393 4.447 50 5 EIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F ZINC000000063852 209395914 /nfs/dbraw/zinc/39/59/14/209395914.db2.gz DZVMDQBJHLJOPC-CMDGGOBGSA-N 0 0 336.269 4.266 50 5 EIBARN Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000000062519 209395557 /nfs/dbraw/zinc/39/55/57/209395557.db2.gz JOEPTXQHTZFOHA-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN CC(C)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000060538 209394976 /nfs/dbraw/zinc/39/49/76/209394976.db2.gz IEDAJMIOMPPGMP-YVLHZVERSA-N 0 0 336.347 4.063 50 5 EIBARN O=c1[nH]c2ccccc2cc1/C=C/c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000027542619 212562605 /nfs/dbraw/zinc/56/26/05/212562605.db2.gz GLIKXMKQSMKMSO-VMPITWQZSA-N 0 0 349.371 4.216 50 5 EIBARN O=C(Nc1ccc(Cl)c2ncsc21)c1cccc([N+](=O)[O-])c1 ZINC000020946550 212191723 /nfs/dbraw/zinc/19/17/23/212191723.db2.gz QSFRQSOOSSQARW-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1c(NC(=O)c2cc3ccc4cccnc4c3[nH]2)cccc1[N+](=O)[O-] ZINC000020575462 212148648 /nfs/dbraw/zinc/14/86/48/212148648.db2.gz CTWBTHKDGRQMMY-UHFFFAOYSA-N 0 0 346.346 4.185 50 5 EIBARN O=[N+]([O-])c1ccc(CNN2[C@@H]3CCCC[C@@H]3C[C@@H]3CCCC[C@@H]32)cc1 ZINC000019168252 212002750 /nfs/dbraw/zinc/00/27/50/212002750.db2.gz XVQZTFSRIZIHRA-TZRIAGMCSA-N 0 0 343.471 4.423 50 5 EIBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3Br)no2)c1 ZINC000016124270 211885356 /nfs/dbraw/zinc/88/53/56/211885356.db2.gz ASDXLNFEXGGMBS-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN O=c1oc2ccccc2c(Nc2cc3ccccc3cc2O)c1[N+](=O)[O-] ZINC000013554989 211577464 /nfs/dbraw/zinc/57/74/64/211577464.db2.gz BYHIFGWOUJTLFH-UHFFFAOYSA-N 0 0 348.314 4.304 50 5 EIBARN O=[N+]([O-])c1cccc(Cl)c1-n1nc(C(F)(F)F)c2c1CCCC2 ZINC000012397972 211367840 /nfs/dbraw/zinc/36/78/40/211367840.db2.gz HDCDPJHAEOHYTP-UHFFFAOYSA-N 0 0 345.708 4.332 50 5 EIBARN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000011234051 211208164 /nfs/dbraw/zinc/20/81/64/211208164.db2.gz YANSJXZOMSOXRR-QGZVFWFLSA-N 0 0 344.798 4.438 50 5 EIBARN COc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000008321790 210933144 /nfs/dbraw/zinc/93/31/44/210933144.db2.gz UYAOSQBHTBXVFG-SOFGYWHQSA-N 0 0 336.347 4.331 50 5 EIBARN O=C(Nc1c(Cl)cc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000095452376 218396298 /nfs/dbraw/zinc/39/62/98/218396298.db2.gz QJGOWYUMWALYBJ-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(OC(F)F)cc3)c2)c1 ZINC000095452523 218396476 /nfs/dbraw/zinc/39/64/76/218396476.db2.gz KSCLVAGIMHMMAP-UHFFFAOYSA-N 0 0 345.305 4.108 50 5 EIBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)o1 ZINC000007967716 210870889 /nfs/dbraw/zinc/87/08/89/210870889.db2.gz RQDTZJAJFKOELK-UHFFFAOYSA-N 0 0 343.364 4.180 50 5 EIBARN CNc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000006589050 210660192 /nfs/dbraw/zinc/66/01/92/210660192.db2.gz CZPIGMBKYZIADJ-UHFFFAOYSA-N 0 0 340.166 4.196 50 5 EIBARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006322284 210617225 /nfs/dbraw/zinc/61/72/25/210617225.db2.gz SCDNDDSDTIWNKV-UHFFFAOYSA-N 0 0 340.763 4.118 50 5 EIBARN CNc1ccccc1C(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000005072811 210384611 /nfs/dbraw/zinc/38/46/11/210384611.db2.gz SMMFIZUZJSOYFC-UHFFFAOYSA-N 0 0 336.395 4.353 50 5 EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1Cl ZINC000005049304 210374032 /nfs/dbraw/zinc/37/40/32/210374032.db2.gz XCDBGSRBNDTKLX-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005041607 210371856 /nfs/dbraw/zinc/37/18/56/210371856.db2.gz LCIVHEQUBWVYRD-CYBMUJFWSA-N 0 0 329.425 4.259 50 5 EIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(Cl)c2)c2ncccc12 ZINC000004980496 210348214 /nfs/dbraw/zinc/34/82/14/210348214.db2.gz RPIXEHRNIXNNRI-UHFFFAOYSA-N 0 0 344.714 4.448 50 5 EIBARN Cc1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)n1-c1ccccc1 ZINC000004983091 210348020 /nfs/dbraw/zinc/34/80/20/210348020.db2.gz PRHJPSFLHGAWLL-UHFFFAOYSA-N 0 0 346.799 4.289 50 5 EIBARN CCCCOC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000004919261 210324009 /nfs/dbraw/zinc/32/40/09/210324009.db2.gz HULLICHJWCFNER-UHFFFAOYSA-N 0 0 347.418 4.389 50 5 EIBARN O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCCCC1 ZINC000004838109 210293728 /nfs/dbraw/zinc/29/37/28/210293728.db2.gz CUOOUYGHAQBFGI-UHFFFAOYSA-N 0 0 326.352 4.013 50 5 EIBARN C[C@H]1C[C@@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000004833894 210292579 /nfs/dbraw/zinc/29/25/79/210292579.db2.gz XXFBVGMMIROTHC-NWDGAFQWSA-N 0 0 330.384 4.328 50 5 EIBARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004823530 210287743 /nfs/dbraw/zinc/28/77/43/210287743.db2.gz WPAFOBDKLSZORN-CYBMUJFWSA-N 0 0 328.368 4.126 50 5 EIBARN Cc1ccc(C)c(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c1 ZINC000000352669 135649098 /nfs/dbraw/zinc/64/90/98/135649098.db2.gz AWMIICMNSNNDHR-UHFFFAOYSA-N 0 0 346.342 4.165 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC(c3ccc(O)cc3)CC2)c2ncccc12 ZINC000012522099 135695485 /nfs/dbraw/zinc/69/54/85/135695485.db2.gz YJSUDUCYTIMDAC-UHFFFAOYSA-N 0 0 349.390 4.233 50 5 EIBARN CCc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000001773471 563410594 /nfs/dbraw/zinc/41/05/94/563410594.db2.gz ULEONYJRYAZWDS-UHFFFAOYSA-N 0 0 342.395 4.263 50 5 EIBARN O=[N+]([O-])c1cc2ccc1CCc1ccc(cc1Br)CC2 ZINC000003124724 563473353 /nfs/dbraw/zinc/47/33/53/563473353.db2.gz IXGLVZVLAQBBRI-UHFFFAOYSA-N 0 0 332.197 4.241 50 5 EIBARN Cc1ccc([C@@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000097373986 563599405 /nfs/dbraw/zinc/59/94/05/563599405.db2.gz UQAAFODQQPEZCW-GFCCVEGCSA-N 0 0 327.340 4.002 50 5 EIBARN Cc1cccc(NC(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)n1 ZINC000032721922 563707455 /nfs/dbraw/zinc/70/74/55/563707455.db2.gz DOCMQPUHVXHEHO-UHFFFAOYSA-N 0 0 345.424 4.299 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCCOc1ccccc1 ZINC000004551633 563772246 /nfs/dbraw/zinc/77/22/46/563772246.db2.gz XIIOWPZJOSVGIM-UHFFFAOYSA-N 0 0 341.411 4.076 50 5 EIBARN Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3F)o2)cs1 ZINC000032923336 563825298 /nfs/dbraw/zinc/82/52/98/563825298.db2.gz YTMTYCMUHHABPB-UHFFFAOYSA-N 0 0 333.344 4.371 50 5 EIBARN Cc1ccccc1-c1noc([C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000072305370 563914761 /nfs/dbraw/zinc/91/47/61/563914761.db2.gz ARNAHBJQEOOXNG-NSHDSACASA-N 0 0 343.314 4.232 50 5 EIBARN O=[N+]([O-])c1c(Br)ccc(OCc2ccccc2)c1F ZINC000261493927 563926389 /nfs/dbraw/zinc/92/63/89/563926389.db2.gz MBIODQJNAKWFBA-UHFFFAOYSA-N 0 0 326.121 4.075 50 5 EIBARN O=C(Nc1cccc(F)c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000028982 563963351 /nfs/dbraw/zinc/96/33/51/563963351.db2.gz DVNHSORDZOONNW-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)o1 ZINC000033158696 563963993 /nfs/dbraw/zinc/96/39/93/563963993.db2.gz DBBUTPBOPGOJAO-UHFFFAOYSA-N 0 0 343.364 4.180 50 5 EIBARN CC(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000000087990 563974647 /nfs/dbraw/zinc/97/46/47/563974647.db2.gz CDFDAKBYKGAIRZ-UHFFFAOYSA-N 0 0 339.351 4.347 50 5 EIBARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000000102904 563982153 /nfs/dbraw/zinc/98/21/53/563982153.db2.gz AUHGUPAEOINCGJ-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Nc1ccccc1S[C@H](C[N+](=O)[O-])c1c(F)cccc1Cl ZINC000000100744 563982155 /nfs/dbraw/zinc/98/21/55/563982155.db2.gz BDGBXVVNYXIGQT-CYBMUJFWSA-N 0 0 326.780 4.171 50 5 EIBARN Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000000124414 563986787 /nfs/dbraw/zinc/98/67/87/563986787.db2.gz HZKVNCNEWNDYER-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000000165794 563987489 /nfs/dbraw/zinc/98/74/89/563987489.db2.gz QSOTVEYENNHNQD-UHFFFAOYSA-N 0 0 347.104 4.432 50 5 EIBARN O=C(Nc1nccs1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000000179739 563987566 /nfs/dbraw/zinc/98/75/66/563987566.db2.gz PNINDNZXKVWXKY-UHFFFAOYSA-N 0 0 341.348 4.096 50 5 EIBARN O=C(Nc1ccccc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl ZINC000000172362 563987586 /nfs/dbraw/zinc/98/75/86/563987586.db2.gz MFGZFAOJASBNBN-UHFFFAOYSA-N 0 0 342.742 4.192 50 5 EIBARN Cc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ccc1[N+](=O)[O-] ZINC000000183754 563987893 /nfs/dbraw/zinc/98/78/93/563987893.db2.gz FTMJGZQBCUMLLI-UHFFFAOYSA-N 0 0 347.374 4.145 50 5 EIBARN CC[C@@H](Oc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000000205936 563988517 /nfs/dbraw/zinc/98/85/17/563988517.db2.gz QFUDDVOEPYUVMD-OAHLLOKOSA-N 0 0 325.324 4.175 50 5 EIBARN Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000000284783 563990196 /nfs/dbraw/zinc/99/01/96/563990196.db2.gz YEKLJINTRPMLST-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 ZINC000000308342 563990769 /nfs/dbraw/zinc/99/07/69/563990769.db2.gz VKEUMNRLCFKCID-UHFFFAOYSA-N 0 0 334.637 4.112 50 5 EIBARN Cc1cc(C)cc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 ZINC000000426931 563998643 /nfs/dbraw/zinc/99/86/43/563998643.db2.gz JIWBMVHBKOCABG-UHFFFAOYSA-N 0 0 327.383 4.121 50 5 EIBARN Cc1cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000000440407 563999546 /nfs/dbraw/zinc/99/95/46/563999546.db2.gz YLBMTCCEYLUHQZ-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000005200371 564000390 /nfs/dbraw/zinc/00/03/90/564000390.db2.gz HWABEGYTMPKHFT-UHFFFAOYSA-N 0 0 327.384 4.082 50 5 EIBARN Cc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000000461881 564000716 /nfs/dbraw/zinc/00/07/16/564000716.db2.gz VXOUGLDIMQNCSE-UHFFFAOYSA-N 0 0 349.342 4.096 50 5 EIBARN Cc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc21 ZINC000001516567 564003597 /nfs/dbraw/zinc/00/35/97/564003597.db2.gz IBUOLCIWYBGWAI-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN COc1ccccc1OC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000016576691 564014326 /nfs/dbraw/zinc/01/43/26/564014326.db2.gz HIBIDUYUBRVFIH-UHFFFAOYSA-N 0 0 346.338 4.174 50 5 EIBARN Cc1ccc(C(=O)CSc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000000556272 564022864 /nfs/dbraw/zinc/02/28/64/564022864.db2.gz GQOHAORFHZSJDU-UHFFFAOYSA-N 0 0 328.349 4.019 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1OCc1ccc(Cl)c2cccnc12 ZINC000031647200 564035849 /nfs/dbraw/zinc/03/58/49/564035849.db2.gz TVKXVMMXJKCTCL-UHFFFAOYSA-N 0 0 344.754 4.384 50 5 EIBARN C[C@@H]1CC(NC(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 ZINC000225532405 564047578 /nfs/dbraw/zinc/04/75/78/564047578.db2.gz 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564086182 /nfs/dbraw/zinc/08/61/82/564086182.db2.gz UHXFEUQPTULQQB-UHFFFAOYSA-N 0 0 339.710 4.040 50 5 EIBARN O=[N+]([O-])c1ccc([C@H]2[C@@H]3C(c4ccccc4)=NC4(CCCC4)N32)cc1 ZINC000026817351 564088997 /nfs/dbraw/zinc/08/89/97/564088997.db2.gz SLIMGDFBHBKUFV-NVPCEHRXSA-N 0 0 333.391 4.093 50 5 EIBARN O=C(Nc1ccc(Cl)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006510583 564091258 /nfs/dbraw/zinc/09/12/58/564091258.db2.gz SPIGAJGQCOBCCH-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN O=[N+]([O-])c1ccc(Oc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000006889177 564100753 /nfs/dbraw/zinc/10/07/53/564100753.db2.gz USWRWSRUVNMGSK-UHFFFAOYSA-N 0 0 327.365 4.271 50 5 EIBARN Cc1noc(C)c1CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000170593167 564108936 /nfs/dbraw/zinc/10/89/36/564108936.db2.gz FRICCBRPEHMPFF-UHFFFAOYSA-N 0 0 330.171 4.143 50 5 EIBARN Cc1c(Cl)c(COc2cccnc2[N+](=O)[O-])nc2ccccc12 ZINC000007549895 564110300 /nfs/dbraw/zinc/11/03/00/564110300.db2.gz PYAYVEQPTSDPMR-UHFFFAOYSA-N 0 0 329.743 4.079 50 5 EIBARN 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O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1 ZINC000003124825 564155301 /nfs/dbraw/zinc/15/53/01/564155301.db2.gz BLKIBZAUQIQZGK-UHFFFAOYSA-N 0 0 328.202 4.314 50 5 EIBARN Cc1ccc(N2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000003164223 564155527 /nfs/dbraw/zinc/15/55/27/564155527.db2.gz KPHBDKXXGPMFRF-GDNBJRDFSA-N 0 0 340.360 4.144 50 5 EIBARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000003351888 564157640 /nfs/dbraw/zinc/15/76/40/564157640.db2.gz FWXOCRFTQDNULA-MRXNPFEDSA-N 0 0 330.771 4.056 50 5 EIBARN Cc1noc(C)c1COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000030970632 564158262 /nfs/dbraw/zinc/15/82/62/564158262.db2.gz LLDLKDNKDIVPPL-UHFFFAOYSA-N 0 0 338.363 4.369 50 5 EIBARN O=[N+]([O-])c1ccc(CSc2nnc3sc4ccccc4n23)cc1 ZINC000003495719 564158473 /nfs/dbraw/zinc/15/84/73/564158473.db2.gz FLMXMUMWSBMJND-UHFFFAOYSA-N 0 0 342.405 4.145 50 5 EIBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1O ZINC000003510695 564158616 /nfs/dbraw/zinc/15/86/16/564158616.db2.gz 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O=[N+]([O-])c1ccc(COc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000003578177 210057403 /nfs/dbraw/zinc/05/74/03/210057403.db2.gz VZKHFQFRYHMZHZ-UHFFFAOYSA-N 0 0 341.392 4.057 50 5 EIBARN O=C(N=c1[nH]c2ccc3ccccc3c2s1)c1cccc([N+](=O)[O-])c1 ZINC000001506181 209754627 /nfs/dbraw/zinc/75/46/27/209754627.db2.gz WAQYVSAMOUPTAV-UHFFFAOYSA-N 0 0 349.371 4.032 50 5 EIBARN O=C(c1csc([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000040145131 213272243 /nfs/dbraw/zinc/27/22/43/213272243.db2.gz DBPIBZCIYVSSLE-UHFFFAOYSA-N 0 0 344.436 4.141 50 5 EIBARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000609644 209673643 /nfs/dbraw/zinc/67/36/43/209673643.db2.gz DOSGOOUMYPMSHG-UHFFFAOYSA-N 0 0 325.246 4.258 50 5 EIBARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000478695 209626823 /nfs/dbraw/zinc/62/68/23/209626823.db2.gz HGUUWUJOHINQBP-FZKQIMNGSA-N 0 0 335.403 4.255 50 5 EIBARN O=C(N[C@H](c1cccs1)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000031806520 212748642 /nfs/dbraw/zinc/74/86/42/212748642.db2.gz 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CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000012137670 211301953 /nfs/dbraw/zinc/30/19/53/211301953.db2.gz JNEWXNZSHZUPEB-KRWDZBQOSA-N 0 0 328.368 4.008 50 5 EIBARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000011203837 211207207 /nfs/dbraw/zinc/20/72/07/211207207.db2.gz UDTMBUCFSWWKBF-MRXNPFEDSA-N 0 0 330.771 4.129 50 5 EIBARN COc1ccc(SCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010218015 211154076 /nfs/dbraw/zinc/15/40/76/211154076.db2.gz KZYKFRADHCFTCG-UHFFFAOYSA-N 0 0 346.408 4.114 50 5 EIBARN CC(C)n1nnnc1SCc1nc2ccccc2c2ccccc12 ZINC000009322815 211067989 /nfs/dbraw/zinc/06/79/89/211067989.db2.gz WBMKOMJPSUOTAI-UHFFFAOYSA-N 0 0 335.436 4.248 50 5 EIBARN Cc1sc(NC(=O)CC(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095364873 218298332 /nfs/dbraw/zinc/29/83/32/218298332.db2.gz WQZARTSDYAPBAO-UHFFFAOYSA-N 0 0 333.413 4.401 50 5 EIBARN CCOc1cc(NCc2ccc(C)cc2)c([N+](=O)[O-])cc1OCC ZINC000008705230 210983071 /nfs/dbraw/zinc/98/30/71/210983071.db2.gz 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/nfs/dbraw/zinc/34/70/90/210347090.db2.gz QRYSILFWCOZDRA-JXMROGBWSA-N 0 0 327.727 4.469 50 5 EIBARN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3csc([N+](=O)[O-])c3)nc12 ZINC000097179518 218984269 /nfs/dbraw/zinc/98/42/69/218984269.db2.gz FFJQSECLLWTFMW-VZUCSPMQSA-N 0 0 347.783 4.350 50 5 EIBARN COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004817183 210286396 /nfs/dbraw/zinc/28/63/96/210286396.db2.gz DRMKQTHRBPDLFD-OAHLLOKOSA-N 0 0 336.284 4.191 50 5 EIBARN COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000004815431 210284909 /nfs/dbraw/zinc/28/49/09/210284909.db2.gz KFXMMQFQOKTJHD-OAHLLOKOSA-N 0 0 336.284 4.191 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nccn1C1CC1 ZINC000014322339 563758102 /nfs/dbraw/zinc/75/81/02/563758102.db2.gz QUAWTNUXPHWJBA-UHFFFAOYSA-N 0 0 329.303 4.296 50 5 EIBARN O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4[nH]3)sc2c1 ZINC000000080293 563974604 /nfs/dbraw/zinc/97/46/04/563974604.db2.gz JVLXNNQUGMOOCV-UHFFFAOYSA-N 0 0 328.378 4.232 50 5 EIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Br)c1 ZINC000000129370 563986771 /nfs/dbraw/zinc/98/67/71/563986771.db2.gz IJUDCZFDYQYUPE-BQYQJAHWSA-N 0 0 347.168 4.009 50 5 EIBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000138308 563986920 /nfs/dbraw/zinc/98/69/20/563986920.db2.gz KYZUYWHTPJRFDR-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN O=Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000000153668 563987353 /nfs/dbraw/zinc/98/73/53/563987353.db2.gz NIKKSXPLNKTMPF-UHFFFAOYSA-N 0 0 338.182 4.321 50 5 EIBARN Cc1c2ccccc2sc1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000172463 563987553 /nfs/dbraw/zinc/98/75/53/563987553.db2.gz ZTAFGELZYWVYMM-UHFFFAOYSA-N 0 0 327.361 4.475 50 5 EIBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000000216495 563988478 /nfs/dbraw/zinc/98/84/78/563988478.db2.gz SKWYFUCFQJMSRC-UHFFFAOYSA-N 0 0 334.637 4.112 50 5 EIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000000258386 563989585 /nfs/dbraw/zinc/98/95/85/563989585.db2.gz TZHVRJSXNNIBDU-UHFFFAOYSA-N 0 0 328.221 4.005 50 5 EIBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1-c1ccccc1 ZINC000000267250 563989880 /nfs/dbraw/zinc/98/98/80/563989880.db2.gz PMSFQSAVLXWYSY-UHFFFAOYSA-N 0 0 344.326 4.062 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000289162 563990133 /nfs/dbraw/zinc/99/01/33/563990133.db2.gz XVOPEXZPEIYCJP-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN C[C@@H](C1CC1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000283622 563990156 /nfs/dbraw/zinc/99/01/56/563990156.db2.gz DQMRGQPDYBWDAY-ZDUSSCGKSA-N 0 0 325.368 4.432 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2nc3ccccc3s2)c2ncccc12 ZINC000024058304 563991627 /nfs/dbraw/zinc/99/16/27/563991627.db2.gz JHXDCWJVVMINSX-UHFFFAOYSA-N 0 0 336.376 4.365 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000005104465 563994339 /nfs/dbraw/zinc/99/43/39/563994339.db2.gz UGIAIGGSJLOAOI-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN Cc1ccc2cccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2n1 ZINC000000444595 563999553 /nfs/dbraw/zinc/99/95/53/563999553.db2.gz VFYAEEMUZICEDL-UHFFFAOYSA-N 0 0 342.738 4.324 50 5 EIBARN Cc1c(NC(=O)c2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000000449865 563999562 /nfs/dbraw/zinc/99/95/62/563999562.db2.gz WGPUWIVHQUCOIZ-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000000454655 563999823 /nfs/dbraw/zinc/99/98/23/563999823.db2.gz QRCVACDUDPGDND-LJQANCHMSA-N 0 0 345.358 4.366 50 5 EIBARN CCc1ccccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000000461693 564000873 /nfs/dbraw/zinc/00/08/73/564000873.db2.gz VKHRLGJCNAWWOH-UHFFFAOYSA-N 0 0 346.342 4.111 50 5 EIBARN COc1ccc(OC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000005360295 564005925 /nfs/dbraw/zinc/00/59/25/564005925.db2.gz QFXHSBIEUSSCAM-UHFFFAOYSA-N 0 0 339.303 4.083 50 5 EIBARN C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000000471513 564006178 /nfs/dbraw/zinc/00/61/78/564006178.db2.gz BKOKWRIMXFWMAN-SNVBAGLBSA-N 0 0 345.742 4.438 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000000475667 564006237 /nfs/dbraw/zinc/00/62/37/564006237.db2.gz MSSFJRZALLUGSM-LBPRGKRZSA-N 0 0 348.786 4.271 50 5 EIBARN Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000005637174 564006858 /nfs/dbraw/zinc/00/68/58/564006858.db2.gz SPUBOOBYWKDNTI-UHFFFAOYSA-N 0 0 336.800 4.287 50 5 EIBARN Cc1nn(-c2ccccc2)c2nc(C)c3c(=O)oc4ccccc4c3c12 ZINC000018200994 564018765 /nfs/dbraw/zinc/01/87/65/564018765.db2.gz AOSLAHVRNBVFAZ-UHFFFAOYSA-N 0 0 341.370 4.297 50 5 EIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Br ZINC000000514179 564020045 /nfs/dbraw/zinc/02/00/45/564020045.db2.gz ZDUVSNVINLBJKR-CMDGGOBGSA-N 0 0 347.168 4.009 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000000557452 564022849 /nfs/dbraw/zinc/02/28/49/564022849.db2.gz NTJMRCJXAABJII-UHFFFAOYSA-N 0 0 341.411 4.310 50 5 EIBARN Cc1cccc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000001198587 564056359 /nfs/dbraw/zinc/05/63/59/564056359.db2.gz WPMYVQPHVDMJEJ-GDNBJRDFSA-N 0 0 340.360 4.144 50 5 EIBARN O=[N+]([O-])c1ccccc1OCc1csc(Cc2ccccc2)n1 ZINC000031647330 564057840 /nfs/dbraw/zinc/05/78/40/564057840.db2.gz VXPDNLHLJVPTMP-UHFFFAOYSA-N 0 0 326.377 4.221 50 5 EIBARN Cc1cc(C)cc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1 ZINC000012565217 564059702 /nfs/dbraw/zinc/05/97/02/564059702.db2.gz RFFZQDHPPRDVPB-UHFFFAOYSA-N 0 0 327.384 4.042 50 5 EIBARN O=[N+]([O-])c1cccnc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000001385650 564063912 /nfs/dbraw/zinc/06/39/12/564063912.db2.gz JTRJCCAIPOWZQT-UHFFFAOYSA-N 0 0 335.694 4.208 50 5 EIBARN Cc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)c2ccccc2n1 ZINC000001426812 564066786 /nfs/dbraw/zinc/06/67/86/564066786.db2.gz UBCBZVKMYDEKBJ-UHFFFAOYSA-N 0 0 346.346 4.477 50 5 EIBARN O=[N+]([O-])c1c(NCc2ccc(-c3ccccc3)o2)nc2ccccn21 ZINC000084562739 564068714 /nfs/dbraw/zinc/06/87/14/564068714.db2.gz AVGUUUYMMJZTMC-UHFFFAOYSA-N 0 0 334.335 4.115 50 5 EIBARN Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000012944831 564079669 /nfs/dbraw/zinc/07/96/69/564079669.db2.gz OJPZJXFCLLRXPH-KRWDZBQOSA-N 0 0 344.798 4.438 50 5 EIBARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000016273708 564081172 /nfs/dbraw/zinc/08/11/72/564081172.db2.gz MZBJQUQPCVSYGC-NSHDSACASA-N 0 0 345.424 4.064 50 5 EIBARN Cc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1C ZINC000006832197 564099220 /nfs/dbraw/zinc/09/92/20/564099220.db2.gz OBVUKHGFAKTSIB-UHFFFAOYSA-N 0 0 325.368 4.038 50 5 EIBARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NC4(CCCC4)N32)cc1 ZINC000013144851 564103687 /nfs/dbraw/zinc/10/36/87/564103687.db2.gz SLIMGDFBHBKUFV-DKPCLATOSA-N 0 0 333.391 4.093 50 5 EIBARN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000170599201 564109247 /nfs/dbraw/zinc/10/92/47/564109247.db2.gz LDHHKULRHNBHQJ-UHFFFAOYSA-N 0 0 347.374 4.006 50 5 EIBARN O=[N+]([O-])c1cnc(NCCOc2cccc3ccccc32)c(Cl)c1 ZINC000170633262 564116423 /nfs/dbraw/zinc/11/64/23/564116423.db2.gz ZKJFYALBUAAQFC-UHFFFAOYSA-N 0 0 343.770 4.287 50 5 EIBARN C[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000018207817 564116438 /nfs/dbraw/zinc/11/64/38/564116438.db2.gz MZIGKHPNFDJHIR-SECBINFHSA-N 0 0 334.759 4.037 50 5 EIBARN O=[N+]([O-])c1cccc(OCCCCCOc2cccc([N+](=O)[O-])c2)c1 ZINC000002164822 564120175 /nfs/dbraw/zinc/12/01/75/564120175.db2.gz WCJSSULXVRRUJR-UHFFFAOYSA-N 0 0 346.339 4.131 50 5 EIBARN O=[N+]([O-])c1ccc(Sc2ccc3c(c2)OCCO3)c2ccncc21 ZINC000015164439 564124789 /nfs/dbraw/zinc/12/47/89/564124789.db2.gz JRFOZTHSPLFBCF-UHFFFAOYSA-N 0 0 340.360 4.065 50 5 EIBARN COc1ccc2c(C)nc(SCc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000002355542 564132632 /nfs/dbraw/zinc/13/26/32/564132632.db2.gz VOYQKKMRJWFKDE-UHFFFAOYSA-N 0 0 341.392 4.147 50 5 EIBARN Cc1nn(-c2ccccc2)c(C)c1CNc1cccc(F)c1[N+](=O)[O-] ZINC000095954774 564142514 /nfs/dbraw/zinc/14/25/14/564142514.db2.gz WPNAASMRAXWOKL-UHFFFAOYSA-N 0 0 340.358 4.149 50 5 EIBARN CCn1c2ccccc2nc1[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000095956412 564142531 /nfs/dbraw/zinc/14/25/31/564142531.db2.gz VKOQEJSXFFMIGX-NSHDSACASA-N 0 0 328.347 4.277 50 5 EIBARN O=C(Oc1ccc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])cc1 ZINC000002985642 564154183 /nfs/dbraw/zinc/15/41/83/564154183.db2.gz OVBWESHFUJDHCD-UHFFFAOYSA-N 0 0 328.711 4.016 50 5 EIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1 ZINC000003015462 564154349 /nfs/dbraw/zinc/15/43/49/564154349.db2.gz ZQWOIEUBYZHHOM-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003091285 564155100 /nfs/dbraw/zinc/15/51/00/564155100.db2.gz QRCKKKSXAWAKBS-UHFFFAOYSA-N 0 0 325.280 4.133 50 5 EIBARN CC(=O)O[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C(Cl)(Cl)Cl ZINC000003202824 564155920 /nfs/dbraw/zinc/15/59/20/564155920.db2.gz DFWRZWVVGZOISB-VIFPVBQESA-N 0 0 346.981 4.223 50 5 EIBARN O=[N+]([O-])c1cccnc1NCc1ccccc1COc1ccccc1 ZINC000030521367 564156710 /nfs/dbraw/zinc/15/67/10/564156710.db2.gz BSSZBINVZGQSKN-UHFFFAOYSA-N 0 0 335.363 4.181 50 5 EIBARN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000003499334 564158475 /nfs/dbraw/zinc/15/84/75/564158475.db2.gz XTLDLMYILZAZOP-ZDUSSCGKSA-N 0 0 330.409 4.331 50 5 EIBARN Cc1ccc(N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058312030 564158565 /nfs/dbraw/zinc/15/85/65/564158565.db2.gz OPDLXSRNJBZDRF-ZDUSSCGKSA-N 0 0 330.409 4.047 50 5 EIBARN Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000059373630 564161181 /nfs/dbraw/zinc/16/11/81/564161181.db2.gz CWCOPHHYSJXSGC-KRWDZBQOSA-N 0 0 340.379 4.016 50 5 EIBARN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000008237573 564163772 /nfs/dbraw/zinc/16/37/72/564163772.db2.gz DACWDDCIHMJREX-SNVBAGLBSA-N 0 0 344.754 4.485 50 5 EIBARN O=c1cc(Cn2cnc3ccccc32)c2c(ccc3ccccc32)o1 ZINC000008342226 564164589 /nfs/dbraw/zinc/16/45/89/564164589.db2.gz QMOFYDJLDPWTQZ-UHFFFAOYSA-N 0 0 326.355 4.344 50 5 EIBARN O=C(N[C@@H]1CCSc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171845789 564165998 /nfs/dbraw/zinc/16/59/98/564165998.db2.gz FOSBVXHIKKCLBT-GFCCVEGCSA-N 0 0 348.811 4.215 50 5 EIBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000858508 1026401955 /nfs/dbraw/zinc/40/19/55/1026401955.db2.gz MAOOTAVDYDBBPI-UHFFFAOYSA-N 0 0 334.759 4.126 50 5 EIBARN O=C(NCCSC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002815091 1045257733 /nfs/dbraw/zinc/25/77/33/1045257733.db2.gz NULLSNWZJHZCRM-UHFFFAOYSA-N 0 0 342.848 4.044 50 5 EIBARN O=[N+]([O-])c1ccc2nc(/C=C\c3ccccc3[N+](=O)[O-])sc2c1 ZINC000033477391 1047343723 /nfs/dbraw/zinc/34/37/23/1047343723.db2.gz QQCBGPHBAPNSJQ-YVMONPNESA-N 0 0 327.321 4.283 50 5 EIBARN O=C1Nc2cc(Cl)ccc2/C1=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033516985 1047404095 /nfs/dbraw/zinc/40/40/95/1047404095.db2.gz QOTAAWAKWKLDRS-KVICFZKQSA-N 0 0 326.739 4.297 50 5 EIBARN COc1ccc(/C=C\c2nc3cc([N+](=O)[O-])ccc3s2)cc1O ZINC000033463099 1051078337 /nfs/dbraw/zinc/07/83/37/1051078337.db2.gz LBVURYFVMMXKMC-CLTKARDFSA-N 0 0 328.349 4.089 50 5 EIBARN O=[N+]([O-])c1cc2c(cc1/C=C/c1nc3ccccc3s1)OCCO2 ZINC000063427909 1052663921 /nfs/dbraw/zinc/66/39/21/1052663921.db2.gz RAKAJYIZELLHGU-AATRIKPKSA-N 0 0 340.360 4.146 50 5 EIBARN Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(Cc1ccco1)CO2 ZINC000055393777 214319028 /nfs/dbraw/zinc/31/90/28/214319028.db2.gz LLYYEQCIHJIHTO-UHFFFAOYSA-N 0 0 347.370 4.200 50 5 biogenic EIBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@]1(NCc1ccccc1)O2 ZINC000055443947 214324667 /nfs/dbraw/zinc/32/46/67/214324667.db2.gz UTPFNWORGGINAJ-FQEVSTJZSA-N 0 0 336.391 4.431 50 5 EIBARN CCCCCCNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004660614 210240326 /nfs/dbraw/zinc/24/03/26/210240326.db2.gz VDHCEFUPCIXSGC-UHFFFAOYSA-N 0 0 347.459 4.285 50 5 EIBARN COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000004616792 210232167 /nfs/dbraw/zinc/23/21/67/210232167.db2.gz CFGHDZNCOZNHFS-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Brc1ccc2ccc3ccc(Br)nc3c2n1 ZINC000059160837 214613497 /nfs/dbraw/zinc/61/34/97/214613497.db2.gz 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ZINC000004179985 210140527 /nfs/dbraw/zinc/14/05/27/210140527.db2.gz UWPLPYMTTVJFID-OAHLLOKOSA-N 0 0 333.800 4.253 50 5 EIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000004078854 210115158 /nfs/dbraw/zinc/11/51/58/210115158.db2.gz NCBGDIVDEYLQKM-AWNIVKPZSA-N 0 0 344.370 4.499 50 5 EIBARN CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002989407 209950765 /nfs/dbraw/zinc/95/07/65/209950765.db2.gz WIQFCRCROUNFKG-UHFFFAOYSA-N 0 0 334.759 4.289 50 5 EIBARN COc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000002984097 209949024 /nfs/dbraw/zinc/94/90/24/209949024.db2.gz JNAVDENGXQNECA-UHFFFAOYSA-N 0 0 337.759 4.105 50 5 EIBARN CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000002762827 209905402 /nfs/dbraw/zinc/90/54/02/209905402.db2.gz VXEAFDIBCBGORW-OAHLLOKOSA-N 0 0 332.787 4.438 50 5 EIBARN Cc1c(N)c(Br)c2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C ZINC000040448080 213305588 /nfs/dbraw/zinc/30/55/88/213305588.db2.gz SKYWTKZIVUVSRF-UHFFFAOYSA-N 0 0 327.222 4.207 50 5 EIBARN 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O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000375881 563991806 /nfs/dbraw/zinc/99/18/06/563991806.db2.gz JCORTEWPHRCZTA-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN C[C@H]1CCCN(c2ccc(NC(=O)c3cccs3)cc2[N+](=O)[O-])C1 ZINC000004998363 563993694 /nfs/dbraw/zinc/99/36/94/563993694.db2.gz XQHUDATVUBIBQC-LBPRGKRZSA-N 0 0 345.424 4.145 50 5 EIBARN C[C@@H]1CCCN(c2ccc(NC(=O)c3cccs3)cc2[N+](=O)[O-])C1 ZINC000004998362 563993695 /nfs/dbraw/zinc/99/36/95/563993695.db2.gz XQHUDATVUBIBQC-GFCCVEGCSA-N 0 0 345.424 4.145 50 5 EIBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000000424073 563998426 /nfs/dbraw/zinc/99/84/26/563998426.db2.gz PXKCOHVHRUVHEI-OAHLLOKOSA-N 0 0 334.784 4.027 50 5 EIBARN Cc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 ZINC000000428483 563998891 /nfs/dbraw/zinc/99/88/91/563998891.db2.gz UNGZUHORLSJZKB-UHFFFAOYSA-N 0 0 344.370 4.210 50 5 EIBARN Cc1c(C)c(=O)oc2c(C)c(OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000000454739 563999836 /nfs/dbraw/zinc/99/98/36/563999836.db2.gz 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Cc1nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000000971143 564053771 /nfs/dbraw/zinc/05/37/71/564053771.db2.gz DDKPJTSGMWLVTI-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000025328665 564054102 /nfs/dbraw/zinc/05/41/02/564054102.db2.gz WYBADNMUEOMVBK-LLVKDONJSA-N 0 0 348.786 4.090 50 5 EIBARN O=[N+]([O-])c1cccc(OCc2csc(-c3ccc(F)cc3)n2)c1 ZINC000025393625 564054297 /nfs/dbraw/zinc/05/42/97/564054297.db2.gz DKOJQLRXUHRAOI-UHFFFAOYSA-N 0 0 330.340 4.436 50 5 EIBARN O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000025571231 564056249 /nfs/dbraw/zinc/05/62/49/564056249.db2.gz ZVIDLNXREZPRCE-UHFFFAOYSA-N 0 0 337.335 4.052 50 5 EIBARN C[C@H](Sc1nc2sccn2c1[N+](=O)[O-])c1c(F)cccc1F ZINC000084647336 564069376 /nfs/dbraw/zinc/06/93/76/564069376.db2.gz SWLOENOCWSNLFD-ZETCQYMHSA-N 0 0 341.364 4.436 50 5 EIBARN CCCCCCOC(=O)c1ccc(Nc2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000006077865 564073527 /nfs/dbraw/zinc/07/35/27/564073527.db2.gz 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564105587 /nfs/dbraw/zinc/10/55/87/564105587.db2.gz NMZFHIXVWNALFN-UHFFFAOYSA-N 0 0 341.319 4.097 50 5 EIBARN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccccc2Cl)c1F ZINC000170610059 564109709 /nfs/dbraw/zinc/10/97/09/564109709.db2.gz WKBYHNOWDUKKKW-SNVBAGLBSA-N 0 0 336.750 4.187 50 5 EIBARN Cc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1Cl ZINC000017147454 564116516 /nfs/dbraw/zinc/11/65/16/564116516.db2.gz SFAKLVLAQFXUFC-UHFFFAOYSA-N 0 0 330.727 4.407 50 5 EIBARN O=C(Nn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000002288987 564130382 /nfs/dbraw/zinc/13/03/82/564130382.db2.gz LVPCAMHLIMDGQK-UHFFFAOYSA-N 0 0 331.331 4.087 50 5 EIBARN CCCCn1c2ncn([C@H](C)CC)c(=O)c2c2nc3ccccc3nc21 ZINC000002407019 564134631 /nfs/dbraw/zinc/13/46/31/564134631.db2.gz IYVRFRDBQGMBLA-CYBMUJFWSA-N 0 0 349.438 4.066 50 5 EIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000012980330 564135762 /nfs/dbraw/zinc/13/57/62/564135762.db2.gz XYAPAXKBOYBLHP-UHFFFAOYSA-N 0 0 348.761 4.192 50 5 EIBARN Cc1cc(Cl)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000013140877 564136090 /nfs/dbraw/zinc/13/60/90/564136090.db2.gz DVYXVKPSGJHVAO-UHFFFAOYSA-N 0 0 345.786 4.383 50 5 EIBARN O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000225533697 564149641 /nfs/dbraw/zinc/14/96/41/564149641.db2.gz ZESLDVLIOLTRNC-MRXNPFEDSA-N 0 0 349.394 4.112 50 5 EIBARN CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000002762826 564152500 /nfs/dbraw/zinc/15/25/00/564152500.db2.gz VXEAFDIBCBGORW-HNNXBMFYSA-N 0 0 332.787 4.438 50 5 EIBARN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000002834875 564152816 /nfs/dbraw/zinc/15/28/16/564152816.db2.gz RUWJJFLXEOCASE-UHFFFAOYSA-N 0 0 339.303 4.337 50 5 EIBARN CCOc1ccccc1OCCCCOc1ccccc1[N+](=O)[O-] ZINC000002985308 564154161 /nfs/dbraw/zinc/15/41/61/564154161.db2.gz DFZYTFFKRLUNPB-UHFFFAOYSA-N 0 0 331.368 4.232 50 5 EIBARN COc1cc(C)ccc1OCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000002991277 564154251 /nfs/dbraw/zinc/15/42/51/564154251.db2.gz 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ZINC000069771590 564172067 /nfs/dbraw/zinc/17/20/67/564172067.db2.gz GWLYUQAMUJHYDG-UHFFFAOYSA-N 0 0 341.348 4.096 50 5 EIBARN CN(Cc1cccs1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000042206229 564174772 /nfs/dbraw/zinc/17/47/72/564174772.db2.gz ZLLAOALIWHMOPF-UHFFFAOYSA-N 0 0 327.203 4.055 50 5 EIBARN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cc1 ZINC000022015400 1020871912 /nfs/dbraw/zinc/87/19/12/1020871912.db2.gz AAUHQNFHNSHECX-UHFFFAOYSA-N 0 0 342.395 4.044 50 5 EIBARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096920622 1023616567 /nfs/dbraw/zinc/61/65/67/1023616567.db2.gz NPZZSDKEYPHKOS-WLMCBFPDSA-N 0 0 342.420 4.206 50 5 EIBARN O=[N+]([O-])c1ccc2[nH]c(C=Cc3cnc(-c4ccccc4)nc3)nc2c1 ZINC000098054981 1023858817 /nfs/dbraw/zinc/85/88/17/1023858817.db2.gz MNBQYMRKYANPAX-TWGQIWQCSA-N 0 0 343.346 4.099 50 5 EIBARN Cc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000004695555 210250819 /nfs/dbraw/zinc/25/08/19/210250819.db2.gz HQKBNJIUJPTNEO-UHFFFAOYSA-N 0 0 348.786 4.191 50 5 EIBARN CC(=O)c1ccc(Nc2cc(F)cc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000058266101 214521691 /nfs/dbraw/zinc/52/16/91/214521691.db2.gz XQDYZTSSTJWLAV-UHFFFAOYSA-N 0 0 343.358 4.280 50 5 EIBARN Cc1cccc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000004580235 210226277 /nfs/dbraw/zinc/22/62/77/210226277.db2.gz KSXWQHCPOUVLMZ-UHFFFAOYSA-N 0 0 349.342 4.096 50 5 EIBARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl ZINC000004573521 210225314 /nfs/dbraw/zinc/22/53/14/210225314.db2.gz UWUHEGCDMOKCSZ-UHFFFAOYSA-N 0 0 348.830 4.194 50 5 EIBARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004401979 210187938 /nfs/dbraw/zinc/18/79/38/210187938.db2.gz UJQWXZXKRSQPAW-XCVCLJGOSA-N 0 0 347.168 4.009 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000004199212 210143190 /nfs/dbraw/zinc/14/31/90/210143190.db2.gz YGBTUCBJPTYOKK-UHFFFAOYSA-N 0 0 325.368 4.113 50 5 EIBARN Cc1ccc(C2=NN[C@H](c3c(Cl)cccc3[N+](=O)[O-])S2)cc1 ZINC000004179982 210140462 /nfs/dbraw/zinc/14/04/62/210140462.db2.gz UWPLPYMTTVJFID-HNNXBMFYSA-N 0 0 333.800 4.253 50 5 EIBARN O=C(NCCCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004155227 210133689 /nfs/dbraw/zinc/13/36/89/210133689.db2.gz VNZRIXUISMAJPQ-UHFFFAOYSA-N 0 0 332.787 4.001 50 5 EIBARN O=[N+]([O-])c1cnc(Cl)nc1NN(c1ccccc1)c1ccccc1 ZINC000004088080 210116874 /nfs/dbraw/zinc/11/68/74/210116874.db2.gz GXLXOCRHLYEKKL-UHFFFAOYSA-N 0 0 341.758 4.203 50 5 EIBARN O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000065947436 215001026 /nfs/dbraw/zinc/00/10/26/215001026.db2.gz ZZRCGZCCAXKVIF-UHFFFAOYSA-N 0 0 343.320 4.309 50 5 EIBARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004016807 210099979 /nfs/dbraw/zinc/09/99/79/210099979.db2.gz VXOZEHBONIJFQO-ZYHUDNBSSA-N 0 0 329.183 4.125 50 5 aggregator EIBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000003551916 210052693 /nfs/dbraw/zinc/05/26/93/210052693.db2.gz KSRHZCDYTPZVGQ-UHFFFAOYSA-N 0 0 334.759 4.126 50 5 EIBARN COc1ccc(Oc2ncnc3sc(C)c(C)c32)c([N+](=O)[O-])c1 ZINC000003441915 210040366 /nfs/dbraw/zinc/04/03/66/210040366.db2.gz SHFVFMPJUYSORU-UHFFFAOYSA-N 0 0 331.353 4.017 50 5 EIBARN CC(C)COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000003359454 210017842 /nfs/dbraw/zinc/01/78/42/210017842.db2.gz RAZQOBBGDDQEFN-UHFFFAOYSA-N 0 0 332.331 4.021 50 5 EIBARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000003339644 210012119 /nfs/dbraw/zinc/01/21/19/210012119.db2.gz PJSLBYASXXJDHT-UHFFFAOYSA-N 0 0 331.378 4.032 50 5 EIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC000003145118 209971325 /nfs/dbraw/zinc/97/13/25/209971325.db2.gz FYLNUTJRQBGSNN-UHFFFAOYSA-N 0 0 349.730 4.026 50 5 EIBARN Cc1nc(Cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cs1 ZINC000040086300 213260393 /nfs/dbraw/zinc/26/03/93/213260393.db2.gz GMSPPEBRVMABOX-UHFFFAOYSA-N 0 0 331.422 4.382 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000557454 209662670 /nfs/dbraw/zinc/66/26/70/209662670.db2.gz SKFWEHWPOCCMFJ-UHFFFAOYSA-N 0 0 327.384 4.002 50 5 EIBARN C[C@@H](C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000000472277 209623901 /nfs/dbraw/zinc/62/39/01/209623901.db2.gz PLWLYGDFLUYICW-SNVBAGLBSA-N 0 0 349.184 4.100 50 5 EIBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000036347907 213085537 /nfs/dbraw/zinc/08/55/37/213085537.db2.gz WZQAKUYSLXLQMN-OAQYLSRUSA-N 0 0 347.418 4.392 50 5 EIBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000442407 209601695 /nfs/dbraw/zinc/60/16/95/209601695.db2.gz OCPSSCHBODHMDG-OAHLLOKOSA-N 0 0 334.759 4.044 50 5 EIBARN Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000000442195 209601496 /nfs/dbraw/zinc/60/14/96/209601496.db2.gz QPMCIGVCHHKFRK-UHFFFAOYSA-N 0 0 340.257 4.054 50 5 EIBARN CC[C@H]1c2ccccc2-c2cc(Nc3ncnc(N)c3[N+](=O)[O-])ccc21 ZINC000035682002 213046252 /nfs/dbraw/zinc/04/62/52/213046252.db2.gz SLZQSTFRMFZBCT-LBPRGKRZSA-N 0 0 347.378 4.233 50 5 EIBARN Cc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C ZINC000000316103 209532982 /nfs/dbraw/zinc/53/29/82/209532982.db2.gz YSZYXADBYLXYFM-UHFFFAOYSA-N 0 0 330.409 4.084 50 5 EIBARN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccc([N+](=O)[O-])cn3)n2)c1 ZINC000072313946 216148567 /nfs/dbraw/zinc/14/85/67/216148567.db2.gz SBHBKOSESKRJPD-KRWDZBQOSA-N 0 0 349.394 4.030 50 5 EIBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000029240081 212659484 /nfs/dbraw/zinc/65/94/84/212659484.db2.gz RMGIZPNJMXPCMC-SNVBAGLBSA-N 0 0 338.285 4.105 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cccc4)c3)no2)cc1 ZINC000000150576 209453664 /nfs/dbraw/zinc/45/36/64/209453664.db2.gz JBDUBYUOTLFQBJ-UHFFFAOYSA-N 0 0 332.319 4.103 50 5 EIBARN O=C1Oc2ccccc2[C@]1(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000116091 209430437 /nfs/dbraw/zinc/43/04/37/209430437.db2.gz HHFBVLSDPSXXSU-NRFANRHFSA-N 0 0 345.354 4.043 50 5 EIBARN COc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1 ZINC000000069243 209399947 /nfs/dbraw/zinc/39/99/47/209399947.db2.gz XTNNHYQKCKTMKY-UHFFFAOYSA-N 0 0 341.392 4.147 50 5 EIBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1(NCc1ccco1)O2 ZINC000027551185 212562763 /nfs/dbraw/zinc/56/27/63/212562763.db2.gz XDOHTZCIFWKSNQ-GOSISDBHSA-N 0 0 326.352 4.024 50 5 EIBARN O=C(Nc1cccnc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000023549764 212382709 /nfs/dbraw/zinc/38/27/09/212382709.db2.gz DNJLISZLYISQLP-UHFFFAOYSA-N 0 0 335.319 4.034 50 5 EIBARN Cc1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000021835566 212254487 /nfs/dbraw/zinc/25/44/87/212254487.db2.gz YOQKLLDQTJEFIN-QGZVFWFLSA-N 0 0 326.396 4.420 50 5 EIBARN Cc1ccc(-c2nc(CCNc3ncccc3[N+](=O)[O-])cs2)cc1 ZINC000020365740 212122602 /nfs/dbraw/zinc/12/26/02/212122602.db2.gz SSTVPKMWYMEYQI-UHFFFAOYSA-N 0 0 340.408 4.076 50 5 EIBARN CC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000017355572 211966910 /nfs/dbraw/zinc/96/69/10/211966910.db2.gz QMCAJRXPPVQQQK-UHFFFAOYSA-N 0 0 339.395 4.211 50 5 EIBARN O=[N+]([O-])c1c(F)cccc1NCCCOc1cccc2cccnc21 ZINC000078680049 217101521 /nfs/dbraw/zinc/10/15/21/217101521.db2.gz MCTOLIBDMQGXIB-UHFFFAOYSA-N 0 0 341.342 4.163 50 5 EIBARN O=[N+]([O-])c1cnc(N[C@H]2CCCc3ccccc32)c(Br)c1 ZINC000078995536 217168313 /nfs/dbraw/zinc/16/83/13/217168313.db2.gz ADWQXIACIZHTIL-AWEZNQCLSA-N 0 0 348.200 4.242 50 5 EIBARN CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000011169483 211206459 /nfs/dbraw/zinc/20/64/59/211206459.db2.gz SUOMRKWBQJRDQV-NSHDSACASA-N 0 0 348.786 4.138 50 5 EIBARN O=[N+]([O-])c1cc(-c2noc(C3CCCCC3)n2)ccc1N1CCCC1 ZINC000009669052 211113986 /nfs/dbraw/zinc/11/39/86/211113986.db2.gz MJBZSRQDZPCYFP-UHFFFAOYSA-N 0 0 342.399 4.293 50 5 EIBARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000009190784 211050793 /nfs/dbraw/zinc/05/07/93/211050793.db2.gz CLSIPSOXBVONOZ-CYBMUJFWSA-N 0 0 330.409 4.331 50 5 EIBARN O=[N+]([O-])c1ccc(Br)cc1OC(Cl)(Cl)Cl ZINC000095215715 218282413 /nfs/dbraw/zinc/28/24/13/218282413.db2.gz HAFVUKUYYNHNPC-UHFFFAOYSA-N 0 0 335.368 4.064 50 5 EIBARN Cc1c2ccccc2oc1[C@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000095356837 218290099 /nfs/dbraw/zinc/29/00/99/218290099.db2.gz AMKVAQQNMCUSEN-LBPRGKRZSA-N 0 0 336.351 4.470 50 5 EIBARN COc1ccc(-c2cn3c(n2)sc2cc([N+](=O)[O-])ccc23)cc1 ZINC000009086678 211039431 /nfs/dbraw/zinc/03/94/31/211039431.db2.gz UWVMPNGANHTFTB-UHFFFAOYSA-N 0 0 325.349 4.133 50 5 EIBARN CCCCNc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000008586872 210970082 /nfs/dbraw/zinc/97/00/82/210970082.db2.gz MQNHLDVAZSKOQW-UHFFFAOYSA-N 0 0 328.328 4.117 50 5 EIBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2ccccc2)o1 ZINC000007932752 210866646 /nfs/dbraw/zinc/86/66/46/210866646.db2.gz GSZDBRZSVIIVQL-JTQLQIEISA-N 0 0 345.742 4.438 50 5 EIBARN O=C(NC1CCCCC1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000006258153 210608231 /nfs/dbraw/zinc/60/82/31/210608231.db2.gz UHHRHOQZANBLIU-UHFFFAOYSA-N 0 0 344.418 4.327 50 5 EIBARN CCOc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1O ZINC000005930958 210560474 /nfs/dbraw/zinc/56/04/74/210560474.db2.gz 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210307989 /nfs/dbraw/zinc/30/79/89/210307989.db2.gz BUKXQBPAGYXMOR-UHFFFAOYSA-N 0 0 336.347 4.426 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000004832186 210290474 /nfs/dbraw/zinc/29/04/74/210290474.db2.gz SMDWGXJRJQEUTE-GFCCVEGCSA-N 0 0 346.408 4.031 50 5 EIBARN O=C(Nc1cc(F)ccc1F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002172486 258049666 /nfs/dbraw/zinc/04/96/66/258049666.db2.gz QZZVBCBCIGYUGJ-UHFFFAOYSA-N 0 0 327.674 4.170 50 5 EIBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000483359 135651359 /nfs/dbraw/zinc/65/13/59/135651359.db2.gz YKZXZEJENXSBAV-PPOCWRSBSA-N 0 0 340.354 4.115 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000160271893 534882342 /nfs/dbraw/zinc/88/23/42/534882342.db2.gz LITGELMUJDGOQC-NVXWUHKLSA-N 0 0 339.395 4.026 50 5 EIBARN CC(C)(C)c1csc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000003120051 564155201 /nfs/dbraw/zinc/15/52/01/564155201.db2.gz NBJNKGKYZKYXJB-UHFFFAOYSA-N 0 0 339.398 4.408 50 5 EIBARN O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000005580700 563541054 /nfs/dbraw/zinc/54/10/54/563541054.db2.gz OELRBZSULAMPKZ-UHFFFAOYSA-N 0 0 341.314 4.423 50 5 EIBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2O)o1 ZINC000032891551 563782484 /nfs/dbraw/zinc/78/24/84/563782484.db2.gz DRAWXCVJLTVYIN-SNVBAGLBSA-N 0 0 343.364 4.204 50 5 EIBARN CC(=O)Nc1c2ccccc2n2c1c1[nH]c3ccccc3c1nc2C ZINC000000287089 563917235 /nfs/dbraw/zinc/91/72/35/563917235.db2.gz DMHDXTJJXVQZNE-UHFFFAOYSA-N 0 0 328.375 4.389 50 5 EIBARN Cc1cc(N2CCCC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000033040321 563933342 /nfs/dbraw/zinc/93/33/42/563933342.db2.gz HBWINCUNNBOKHP-UHFFFAOYSA-N 0 0 340.383 4.147 50 5 EIBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004700919 563964770 /nfs/dbraw/zinc/96/47/70/563964770.db2.gz DSUONPYYEYDFTJ-NSHDSACASA-N 0 0 329.331 4.107 50 5 EIBARN O=c1oc(-c2cc([N+](=O)[O-])ccc2Cl)nc2cc(Cl)ccc12 ZINC000000089156 563974634 /nfs/dbraw/zinc/97/46/34/563974634.db2.gz 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563990958 /nfs/dbraw/zinc/99/09/58/563990958.db2.gz QVBIDPWIXQXXPF-ONNFQVAWSA-N 0 0 346.770 4.299 50 5 EIBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000376502 563991866 /nfs/dbraw/zinc/99/18/66/563991866.db2.gz BOZWFKBUNLRQDD-SNVBAGLBSA-N 0 0 348.761 4.369 50 5 EIBARN Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)cccc1[N+](=O)[O-] ZINC000000447586 563999547 /nfs/dbraw/zinc/99/95/47/563999547.db2.gz IPOUSMOLVKONCV-UHFFFAOYSA-N 0 0 347.374 4.141 50 5 EIBARN Cc1c(Cl)c(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000000449405 563999591 /nfs/dbraw/zinc/99/95/91/563999591.db2.gz MQXQXWCHHHEMHF-UHFFFAOYSA-N 0 0 345.738 4.242 50 5 EIBARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005175797 563999995 /nfs/dbraw/zinc/99/99/95/563999995.db2.gz XSCWRLJPHICQIZ-UHFFFAOYSA-N 0 0 348.786 4.354 50 5 EIBARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000005509375 564004838 /nfs/dbraw/zinc/00/48/38/564004838.db2.gz VJSIDBGPERNKCP-UHFFFAOYSA-N 0 0 334.759 4.126 50 5 EIBARN CN(C(=O)C[C@@H]1C=CCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180283976 564016975 /nfs/dbraw/zinc/01/69/75/564016975.db2.gz RJYDTWQMHRNQDP-GFCCVEGCSA-N 0 0 343.408 4.037 50 5 EIBARN O=C(COc1ccccc1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000005704477 564019586 /nfs/dbraw/zinc/01/95/86/564019586.db2.gz VWBPRPKJKYWXGN-UHFFFAOYSA-N 0 0 348.358 4.279 50 5 EIBARN O=C(Nc1ccc(F)cc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000529302 564020919 /nfs/dbraw/zinc/02/09/19/564020919.db2.gz JZZUZQCZLQRING-UHFFFAOYSA-N 0 0 344.273 4.385 50 5 EIBARN CCC(CC)N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000012545256 564058828 /nfs/dbraw/zinc/05/88/28/564058828.db2.gz ZCWPHDDGSVIMPA-UHFFFAOYSA-N 0 0 347.459 4.092 50 5 EIBARN Cc1ccc(Cl)cc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000012555642 564059285 /nfs/dbraw/zinc/05/92/85/564059285.db2.gz VBERBEXPXZHLNH-UHFFFAOYSA-N 0 0 347.802 4.387 50 5 EIBARN O=[N+]([O-])c1cc(NCc2nc(-c3ccc(Cl)cc3)no2)ccc1F ZINC000012689029 564062650 /nfs/dbraw/zinc/06/26/50/564062650.db2.gz 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ZINC000001741739 564086196 /nfs/dbraw/zinc/08/61/96/564086196.db2.gz JBEXAUGXKSOCJF-UHFFFAOYSA-N 0 0 341.298 4.237 50 5 EIBARN O=C1CCCN1c1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000026710514 564087760 /nfs/dbraw/zinc/08/77/60/564087760.db2.gz YCMRKOZULFYNBY-UHFFFAOYSA-N 0 0 331.759 4.119 50 5 EIBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)c1ccccc1 ZINC000000093630 564090418 /nfs/dbraw/zinc/09/04/18/564090418.db2.gz AGPBXGAVDOHDFJ-UHFFFAOYSA-N 0 0 330.339 4.208 50 5 biogenic EIBARN CCc1nc2c(c(C)c(C)n2C[C@H]2CCCO2)c2nc3ccccc3n21 ZINC000006665231 564095644 /nfs/dbraw/zinc/09/56/44/564095644.db2.gz SOPFDJNMGDGEOB-OAHLLOKOSA-N 0 0 348.450 4.195 50 5 EIBARN CC1(C)C[C@@](C)(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2N1 ZINC000007029706 564103310 /nfs/dbraw/zinc/10/33/10/564103310.db2.gz QACPROXCTFXFER-GOSISDBHSA-N 0 0 341.367 4.403 50 5 EIBARN Cc1cc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc2c([N+](=O)[O-])c1 ZINC000007344354 564107291 /nfs/dbraw/zinc/10/72/91/564107291.db2.gz CKKPWTZDGSKZQB-UHFFFAOYSA-N 0 0 349.346 4.170 50 5 EIBARN Cc1ccc([N+](=O)[O-])c(OCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000089623902 564112740 /nfs/dbraw/zinc/11/27/40/564112740.db2.gz SOYUFXIAZCJBJS-QGZVFWFLSA-N 0 0 343.379 4.040 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000016789762 564113426 /nfs/dbraw/zinc/11/34/26/564113426.db2.gz WKPMBPUPCNBDLM-UHFFFAOYSA-N 0 0 326.283 4.246 50 5 EIBARN CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017068717 564116346 /nfs/dbraw/zinc/11/63/46/564116346.db2.gz NRLKIHYCLQKMAB-UHFFFAOYSA-N 0 0 333.775 4.302 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000017070668 564116359 /nfs/dbraw/zinc/11/63/59/564116359.db2.gz PHIYFJPXWPFOMY-UHFFFAOYSA-N 0 0 335.747 4.209 50 5 EIBARN Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000017122539 564116491 /nfs/dbraw/zinc/11/64/91/564116491.db2.gz HZNOVTRYDPIQAF-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN O=[N+]([O-])c1ccc([O-])cc1CSC1=Nc2ccccc2CS1 ZINC000253424556 564131090 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O=C(Nc1cccnc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008072021 564162509 /nfs/dbraw/zinc/16/25/09/564162509.db2.gz AMSHAGRCBKIJPC-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN C[S@](=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000008648431 564166166 /nfs/dbraw/zinc/16/61/66/564166166.db2.gz KWZSVQOMVYWGDL-HSZRJFAPSA-N 0 0 345.298 4.143 50 5 EIBARN COCc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000161660608 1028524735 /nfs/dbraw/zinc/52/47/35/1028524735.db2.gz ZJJVZMVHTAKNNQ-HNNXBMFYSA-N 0 0 336.775 4.329 50 5 EIBARN Cc1c(NC(=O)N2CCC[C@@H]2c2cccs2)cccc1[N+](=O)[O-] ZINC000015837639 1029116664 /nfs/dbraw/zinc/11/66/64/1029116664.db2.gz IVUDWDRCWGKESE-CQSZACIVSA-N 0 0 331.397 4.334 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000015837621 1029117804 /nfs/dbraw/zinc/11/78/04/1029117804.db2.gz CSHBCLWMJIHWFE-ZDUSSCGKSA-N 0 0 347.396 4.034 50 5 EIBARN O=[N+]([O-])c1ccc2[nH]c(C=Cc3cnc(-c4ccccc4)nc3)nc2c1 ZINC000084564843 1041226694 /nfs/dbraw/zinc/22/66/94/1041226694.db2.gz MNBQYMRKYANPAX-RMKNXTFCSA-N 0 0 343.346 4.099 50 5 EIBARN O=[N+]([O-])c1cccc(/C=C(\Cl)c2nc(-c3cccs3)no2)c1 ZINC000032743593 1045940222 /nfs/dbraw/zinc/94/02/22/1045940222.db2.gz VZIMCLUSWVCRAW-FLIBITNWSA-N 0 0 333.756 4.443 50 5 EIBARN CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004689103 210247375 /nfs/dbraw/zinc/24/73/75/210247375.db2.gz REZZUGOVFOQGDN-UHFFFAOYSA-N 0 0 344.367 4.035 50 5 EIBARN Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(F)cc3)nc12 ZINC000004678170 210243845 /nfs/dbraw/zinc/24/38/45/210243845.db2.gz NQDDUZGYBXGAFO-UHFFFAOYSA-N 0 0 336.326 4.054 50 5 EIBARN Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000004671906 210243155 /nfs/dbraw/zinc/24/31/55/210243155.db2.gz JKTHZWXZWPHTBU-UHFFFAOYSA-N 0 0 348.786 4.191 50 5 EIBARN Cc1cc(Br)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004599027 210230363 /nfs/dbraw/zinc/23/03/63/210230363.db2.gz SUDBLDSTAUYENX-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN CC(=C\c1ccccc1)/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000004587872 210228286 /nfs/dbraw/zinc/22/82/86/210228286.db2.gz SGTLECOZTMIKBU-NEOBQEPSSA-N 0 0 348.358 4.194 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000004426331 210191040 /nfs/dbraw/zinc/19/10/40/210191040.db2.gz WJGBLBSCHKSPFU-GXFFZTMASA-N 0 0 343.210 4.433 50 5 EIBARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004336149 210173961 /nfs/dbraw/zinc/17/39/61/210173961.db2.gz ZSSXIORARZOYDC-UHFFFAOYSA-N 0 0 346.342 4.078 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1cccs1 ZINC000004306277 210165339 /nfs/dbraw/zinc/16/53/39/210165339.db2.gz NBMORPJOCCKUEX-UHFFFAOYSA-N 0 0 347.274 4.195 50 5 EIBARN O=[N+]([O-])c1ccc(/C=C/c2nc3ccccn3c2Br)cc1 ZINC000004248237 210150512 /nfs/dbraw/zinc/15/05/12/210150512.db2.gz JOXYDHHLNMVBDM-RMKNXTFCSA-N 0 0 344.168 4.175 50 5 EIBARN COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1F ZINC000065568172 214964133 /nfs/dbraw/zinc/96/41/33/214964133.db2.gz HBTVTPLVALKZCN-LLVKDONJSA-N 0 0 341.342 4.464 50 5 EIBARN O=C(OCc1nc2ccccc2s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004072660 210113344 /nfs/dbraw/zinc/11/33/44/210113344.db2.gz AGPAJWUIFARGOP-UHFFFAOYSA-N 0 0 348.767 4.215 50 5 EIBARN O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000004020856 210101853 /nfs/dbraw/zinc/10/18/53/210101853.db2.gz DFOIKECTOLVHDV-UHFFFAOYSA-N 0 0 332.359 4.443 50 5 EIBARN CCOC(=O)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000003913758 210094076 /nfs/dbraw/zinc/09/40/76/210094076.db2.gz CVRISMFOPVFIDV-UHFFFAOYSA-N 0 0 348.786 4.080 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1Sc1nc2ccccc2[nH]1 ZINC000003876242 210081336 /nfs/dbraw/zinc/08/13/36/210081336.db2.gz BVMWTMUSHQLPPU-UHFFFAOYSA-N 0 0 340.408 4.223 50 5 EIBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000003552847 210053249 /nfs/dbraw/zinc/05/32/49/210053249.db2.gz KPUMFTXEFGPPAF-VIFPVBQESA-N 0 0 339.178 4.393 50 5 EIBARN CC(C)Nc1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000003416881 210032822 /nfs/dbraw/zinc/03/28/22/210032822.db2.gz LCTCUPLYBJWMPU-UHFFFAOYSA-N 0 0 330.822 4.071 50 5 EIBARN Cc1[nH]c2ccccc2c1C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000003296001 210000702 /nfs/dbraw/zinc/00/07/02/210000702.db2.gz DZJSJIDCXMUKRC-UHFFFAOYSA-N 0 0 344.754 4.300 50 5 EIBARN COc1ccc(OC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000002166223 209826185 /nfs/dbraw/zinc/82/61/85/209826185.db2.gz TUJLESUEXSOXEX-UHFFFAOYSA-N 0 0 340.694 4.007 50 5 EIBARN O=[N+]([O-])c1ccc(CSc2nnc(Nc3ccccc3)s2)cc1 ZINC000001817209 209797510 /nfs/dbraw/zinc/79/75/10/209797510.db2.gz FOEDZTLQTDXQAH-UHFFFAOYSA-N 0 0 344.421 4.482 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccc(F)cc1Cl ZINC000001752588 209789852 /nfs/dbraw/zinc/78/98/52/209789852.db2.gz AJLPNMDDZRLVBN-UHFFFAOYSA-N 0 0 340.694 4.007 50 5 EIBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F ZINC000040087565 213259778 /nfs/dbraw/zinc/25/97/78/213259778.db2.gz BEVLESHNKSIIMG-UHFFFAOYSA-N 0 0 336.750 4.050 50 5 EIBARN Cc1ccc(NC(=O)CCSc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000000618126 209682273 /nfs/dbraw/zinc/68/22/73/209682273.db2.gz IUSJUVHBGOKNCL-UHFFFAOYSA-N 0 0 330.409 4.333 50 5 EIBARN O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1[N+](=O)[O-] ZINC000000454371 209610229 /nfs/dbraw/zinc/61/02/29/209610229.db2.gz ZNMCUJFYZGGXJM-UHFFFAOYSA-N 0 0 328.711 4.016 50 5 EIBARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000036620828 213104792 /nfs/dbraw/zinc/10/47/92/213104792.db2.gz GDNDJMBEPJZKGK-QGZVFWFLSA-N 0 0 325.368 4.272 50 5 EIBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000029240089 212659348 /nfs/dbraw/zinc/65/93/48/212659348.db2.gz RMGIZPNJMXPCMC-JTQLQIEISA-N 0 0 338.285 4.105 50 5 EIBARN Cc1ccc(Cl)cc1N1C(=S)N=NC1c1cccc([N+](=O)[O-])c1 ZINC000000221609 209494148 /nfs/dbraw/zinc/49/41/48/209494148.db2.gz RSVSLHKIWZIBKT-UHFFFAOYSA-N 0 0 346.799 4.093 50 5 EIBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000000180444 209469389 /nfs/dbraw/zinc/46/93/89/209469389.db2.gz GXDHXGDUCIXDEF-UHFFFAOYSA-N 0 0 343.339 4.110 50 5 EIBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc([N+](=O)[O-])c1 ZINC000000174886 209465437 /nfs/dbraw/zinc/46/54/37/209465437.db2.gz ZRGXGXIMMFOGRI-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000000169472 209462055 /nfs/dbraw/zinc/46/20/55/209462055.db2.gz NZLCFBQFGGLFTP-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000134973 209441727 /nfs/dbraw/zinc/44/17/27/209441727.db2.gz BSIWXRYPAUANEF-UHFFFAOYSA-N 0 0 327.384 4.002 50 5 EIBARN O=[N+]([O-])c1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000000064309 209397581 /nfs/dbraw/zinc/39/75/81/209397581.db2.gz JEJABRMMPFHKDN-UHFFFAOYSA-N 0 0 341.348 4.191 50 5 EIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc2ccccc2c1 ZINC000000058897 209393930 /nfs/dbraw/zinc/39/39/30/209393930.db2.gz DTSIITCTHMWXEC-PDGQHHTCSA-N 0 0 344.326 4.093 50 5 EIBARN Cc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cn1 ZINC000023519041 212381667 /nfs/dbraw/zinc/38/16/67/212381667.db2.gz ZFMHKFKNMYCBOB-UHFFFAOYSA-N 0 0 345.354 4.007 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1CNc1ccc2c3c(cccc31)CC2 ZINC000022256599 212286564 /nfs/dbraw/zinc/28/65/64/212286564.db2.gz XYYAYHUNPOJPKC-UHFFFAOYSA-N 0 0 334.375 4.467 50 5 EIBARN Cc1ccnc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000022135485 212279066 /nfs/dbraw/zinc/27/90/66/212279066.db2.gz NHSJCNLIGHMNSO-VQHVLOKHSA-N 0 0 349.346 4.210 50 5 EIBARN CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000021197566 212214863 /nfs/dbraw/zinc/21/48/63/212214863.db2.gz CJBQWQGVRCZEFD-MDZDMXLPSA-N 0 0 348.761 4.059 50 5 EIBARN O=[N+]([O-])c1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000017071363 211952382 /nfs/dbraw/zinc/95/23/82/211952382.db2.gz ZFEFGRUUBHBSCP-UHFFFAOYSA-N 0 0 341.314 4.423 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(Cl)c1 ZINC000079097765 217192157 /nfs/dbraw/zinc/19/21/57/217192157.db2.gz HCUJEPYOLLHMRI-MRXNPFEDSA-N 0 0 342.786 4.466 50 5 EIBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000014898382 211769854 /nfs/dbraw/zinc/76/98/54/211769854.db2.gz XEDKZIRYSIMBHB-UHFFFAOYSA-N 0 0 335.363 4.189 50 5 EIBARN O=C(N[C@@H](c1cccs1)c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000012266083 211332037 /nfs/dbraw/zinc/33/20/37/211332037.db2.gz LZZXBNRTFXDHTM-OAHLLOKOSA-N 0 0 344.417 4.237 50 5 EIBARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000011246790 211209975 /nfs/dbraw/zinc/20/99/75/211209975.db2.gz LHEQQCBFRBAFJB-UHFFFAOYSA-N 0 0 342.398 4.102 50 5 EIBARN CC(C)CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000008072436 210890283 /nfs/dbraw/zinc/89/02/83/210890283.db2.gz SCVCCFYCGWGPAJ-UHFFFAOYSA-N 0 0 346.358 4.411 50 5 EIBARN CSc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000006831520 210724718 /nfs/dbraw/zinc/72/47/18/210724718.db2.gz WLUDCDXWXSWUAR-UHFFFAOYSA-N 0 0 343.408 4.143 50 5 EIBARN COc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc1c2=O ZINC000006660323 210672697 /nfs/dbraw/zinc/67/26/97/210672697.db2.gz ZHCLQQSJBSNHBE-UHFFFAOYSA-N 0 0 345.354 4.207 50 5 EIBARN Cc1ccc(-c2nc(COc3ccc(C)nc3[N+](=O)[O-])cs2)cc1 ZINC000005689425 210517299 /nfs/dbraw/zinc/51/72/99/210517299.db2.gz GXBSBVMMUNIPCR-UHFFFAOYSA-N 0 0 341.392 4.309 50 5 EIBARN COc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC000005123699 210394945 /nfs/dbraw/zinc/39/49/45/210394945.db2.gz YWMGOIPLCPJEIC-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCCCCC1 ZINC000004838386 210293330 /nfs/dbraw/zinc/29/33/30/210293330.db2.gz ZAQHBRBUQHGRFZ-UHFFFAOYSA-N 0 0 340.379 4.403 50 5 EIBARN CCCC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000004824517 210289137 /nfs/dbraw/zinc/28/91/37/210289137.db2.gz BGCOEMGTRKPPQQ-CQSZACIVSA-N 0 0 338.360 4.265 50 5 EIBARN CCOc1cc(C=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000000453553 257977056 /nfs/dbraw/zinc/97/70/56/257977056.db2.gz UFVGMGSQIXVYEN-UHFFFAOYSA-N 0 0 335.743 4.038 50 5 EIBARN CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000012633970 523155278 /nfs/dbraw/zinc/15/52/78/523155278.db2.gz KXQUIDQAUAGBED-CMDGGOBGSA-N 0 0 348.761 4.059 50 5 EIBARN Cc1ccc(C(=O)Nc2cc(Cl)cc3cccnc32)cc1[N+](=O)[O-] ZINC000032753677 563727250 /nfs/dbraw/zinc/72/72/50/563727250.db2.gz SRXDYEVVXICAOP-UHFFFAOYSA-N 0 0 341.754 4.357 50 5 EIBARN O=C(c1ccc(Cl)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004575207 563784743 /nfs/dbraw/zinc/78/47/43/563784743.db2.gz OTFBGBNYRBMYIF-UHFFFAOYSA-N 0 0 344.798 4.470 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000016283262 563807762 /nfs/dbraw/zinc/80/77/62/563807762.db2.gz WEKUSWVPXQFMST-QPEQYQDCSA-N 0 0 346.389 4.492 50 5 EIBARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000032915806 563814060 /nfs/dbraw/zinc/81/40/60/563814060.db2.gz BMSBKFWSGQMGCS-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN C/C=C/c1ccc(OCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000016903834 563825758 /nfs/dbraw/zinc/82/57/58/563825758.db2.gz FYXNLJAAPMAGPY-ONEGZZNKSA-N 0 0 339.351 4.092 50 5 EIBARN O=[N+]([O-])c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000013743118 563932523 /nfs/dbraw/zinc/93/25/23/563932523.db2.gz MAVKGSSRIBVAGI-UHFFFAOYSA-N 0 0 345.156 4.044 50 5 EIBARN COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000041675 563968623 /nfs/dbraw/zinc/96/86/23/563968623.db2.gz RKGXOPXRCXXFKS-UHFFFAOYSA-N 0 0 341.241 4.193 50 5 EIBARN Nc1ccc(S[C@H](C[N+](=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000000070225 563973734 /nfs/dbraw/zinc/97/37/34/563973734.db2.gz MFKKSQGUUWTDIE-CQSZACIVSA-N 0 0 342.342 4.398 50 5 EIBARN O=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc([N+](=O)[O-])cc12 ZINC000000097157 563976483 /nfs/dbraw/zinc/97/64/83/563976483.db2.gz VHPHBJDXYWVEEX-UHFFFAOYSA-N 0 0 337.118 4.070 50 5 EIBARN Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000102888 563982172 /nfs/dbraw/zinc/98/21/72/563982172.db2.gz GERDZOZONQODBD-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)[C@H](C)[N+](=O)[O-] ZINC000000121956 563986801 /nfs/dbraw/zinc/98/68/01/563986801.db2.gz HBTJDPLUCRBUDO-HXPMCKFVSA-N 0 0 338.363 4.002 50 5 EIBARN Cc1nc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000000169513 563987457 /nfs/dbraw/zinc/98/74/57/563987457.db2.gz WTVZSOUJQQFGIT-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN CCN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21 ZINC000000173039 563987571 /nfs/dbraw/zinc/98/75/71/563987571.db2.gz XTDVPHJOOUEMFX-KRWDZBQOSA-N 0 0 345.402 4.476 50 5 EIBARN O=C1O[C@@](Oc2ccccc2[N+](=O)[O-])(c2ccccc2)c2ccccc21 ZINC000000174538 563987647 /nfs/dbraw/zinc/98/76/47/563987647.db2.gz NRXIYKRDMNTWSG-FQEVSTJZSA-N 0 0 347.326 4.045 50 5 EIBARN COC(=O)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3s2)cc1 ZINC000000226032 563988806 /nfs/dbraw/zinc/98/88/06/563988806.db2.gz ZIQGJRYPXPWPKX-UHFFFAOYSA-N 0 0 348.767 4.312 50 5 EIBARN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000315162 563990943 /nfs/dbraw/zinc/99/09/43/563990943.db2.gz CCTHMKKRHBIMIS-UHFFFAOYSA-N 0 0 348.786 4.389 50 5 EIBARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000357422 563991505 /nfs/dbraw/zinc/99/15/05/563991505.db2.gz PSHFOCPULCDJGA-UHFFFAOYSA-N 0 0 346.342 4.078 50 5 EIBARN CC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000024153846 563996233 /nfs/dbraw/zinc/99/62/33/563996233.db2.gz VYZAYRMCBIOKDK-FQEVSTJZSA-N 0 0 347.374 4.394 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NCc1ccccc1C(F)(F)F ZINC000000439227 563999287 /nfs/dbraw/zinc/99/92/87/563999287.db2.gz HVCRHKDLYKVBAT-UHFFFAOYSA-N 0 0 326.274 4.234 50 5 EIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000000450202 563999816 /nfs/dbraw/zinc/99/98/16/563999816.db2.gz OWZJAVCUQXABNA-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN CSc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000005299214 564002502 /nfs/dbraw/zinc/00/25/02/564002502.db2.gz BCATVODPPZSEPL-UHFFFAOYSA-N 0 0 345.405 4.179 50 5 EIBARN CC1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000000477299 564006176 /nfs/dbraw/zinc/00/61/76/564006176.db2.gz VBOVFFSJTVTYJT-UHFFFAOYSA-N 0 0 348.786 4.380 50 5 EIBARN Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000470767 564006180 /nfs/dbraw/zinc/00/61/80/564006180.db2.gz YTETWBLTQKHYCS-UHFFFAOYSA-N 0 0 336.800 4.287 50 5 EIBARN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000018174115 564018541 /nfs/dbraw/zinc/01/85/41/564018541.db2.gz UCXRQPCTIHGZES-NSHDSACASA-N 0 0 325.324 4.224 50 5 EIBARN O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000000507873 564018942 /nfs/dbraw/zinc/01/89/42/564018942.db2.gz GDXDWWNZGGZBCA-UHFFFAOYSA-N 0 0 344.220 4.027 50 5 EIBARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000610006 564027170 /nfs/dbraw/zinc/02/71/70/564027170.db2.gz YGNVMOMFWHRDDZ-UHFFFAOYSA-N 0 0 341.245 4.137 50 5 EIBARN O=C(NC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000000616390 564031821 /nfs/dbraw/zinc/03/18/21/564031821.db2.gz FRKBYAFCVGUEDR-UHFFFAOYSA-N 0 0 330.343 4.095 50 5 EIBARN Cc1cccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1C ZINC000012556097 564059331 /nfs/dbraw/zinc/05/93/31/564059331.db2.gz USCNLKQZXSNDTI-UHFFFAOYSA-N 0 0 327.384 4.042 50 5 EIBARN O=c1[nH]c2nc(-c3cccnc3)cc(C(F)(F)F)c2c2ccccc12 ZINC000012610353 564060606 /nfs/dbraw/zinc/06/06/06/564060606.db2.gz SOWQUNXRVHSOKM-UHFFFAOYSA-N 0 0 341.292 4.157 50 5 EIBARN O=[N+]([O-])c1cccc(CSc2cc3c(nn2)-c2ccccc2CC3)c1 ZINC000001390182 564064407 /nfs/dbraw/zinc/06/44/07/564064407.db2.gz GLROQDFXGUFQTB-UHFFFAOYSA-N 0 0 349.415 4.443 50 5 EIBARN Cn1cnc([N+](=O)[O-])c1Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000084331811 564067807 /nfs/dbraw/zinc/06/78/07/564067807.db2.gz VROWIXBJMZGOOH-UHFFFAOYSA-N 0 0 336.779 4.047 50 5 EIBARN O=[N+]([O-])c1cc(CSc2nc(-c3ccc(F)cc3)c[nH]2)cs1 ZINC000084419578 564068109 /nfs/dbraw/zinc/06/81/09/564068109.db2.gz BOCFDWXZIWLRIA-UHFFFAOYSA-N 0 0 335.385 4.478 50 5 EIBARN CCCCN1c2ccccc2Oc2cc([N+](=O)[O-])cc(OC)c2C1=O ZINC000002503794 564072981 /nfs/dbraw/zinc/07/29/81/564072981.db2.gz YPMJZBSEFSVXFF-UHFFFAOYSA-N 0 0 342.351 4.156 50 5 EIBARN C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000006061295 564073308 /nfs/dbraw/zinc/07/33/08/564073308.db2.gz VJNBLDPGUQKOKT-CYBMUJFWSA-N 0 0 336.347 4.154 50 5 EIBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1F ZINC000001509819 564074620 /nfs/dbraw/zinc/07/46/20/564074620.db2.gz ZTFRUHDIKRGGGY-UHFFFAOYSA-N 0 0 343.339 4.110 50 5 EIBARN C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000086368630 564075550 /nfs/dbraw/zinc/07/55/50/564075550.db2.gz NJYFZZKZPAOUCR-OLZOCXBDSA-N 0 0 343.383 4.184 50 5 EIBARN CCn1nc(C)c(-c2ccccc2OC)c1-c1ccc([N+](=O)[O-])cc1 ZINC000075260115 564081283 /nfs/dbraw/zinc/08/12/83/564081283.db2.gz DPAJXPZUMWMKTL-UHFFFAOYSA-N 0 0 337.379 4.462 50 5 EIBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000001053028 564081378 /nfs/dbraw/zinc/08/13/78/564081378.db2.gz HEJJNRNZTHBHBP-UHFFFAOYSA-N 0 0 346.386 4.437 50 5 EIBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006307317 564083761 /nfs/dbraw/zinc/08/37/61/564083761.db2.gz FTPKQUVTHQLXRP-UHFFFAOYSA-N 0 0 342.395 4.462 50 5 EIBARN Cc1ccc(O[C@@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000006426861 564086199 /nfs/dbraw/zinc/08/61/99/564086199.db2.gz RHZHSXZENOMTQH-LBPRGKRZSA-N 0 0 325.324 4.093 50 5 EIBARN CC(C)(C)c1ccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 ZINC000026690987 564087637 /nfs/dbraw/zinc/08/76/37/564087637.db2.gz SQVMQWMGKKTFBT-UHFFFAOYSA-N 0 0 328.372 4.049 50 5 EIBARN CCCCCc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000001810694 564088704 /nfs/dbraw/zinc/08/87/04/564088704.db2.gz HVUYDEQLIZADRT-UHFFFAOYSA-N 0 0 337.379 4.027 50 5 EIBARN CCc1ccc([C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000006648338 564095278 /nfs/dbraw/zinc/09/52/78/564095278.db2.gz ZZDVICYIDLRIAY-SFHVURJKSA-N 0 0 341.411 4.065 50 5 EIBARN COc1ccccc1Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002384471 564134086 /nfs/dbraw/zinc/13/40/86/564134086.db2.gz WBTWDMYKDFKSDV-UHFFFAOYSA-N 0 0 327.365 4.471 50 5 EIBARN CCc1cc(NC(=O)c2cc(C)oc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000095468139 564141147 /nfs/dbraw/zinc/14/11/47/564141147.db2.gz NXZVVTDMBICIQP-UHFFFAOYSA-N 0 0 339.351 4.168 50 5 EIBARN O=[N+]([O-])c1cc(NCc2nnc(-c3cccc(Cl)c3)o2)ccc1F ZINC000095966021 564142971 /nfs/dbraw/zinc/14/29/71/564142971.db2.gz QIIGUOVRPNBGOB-UHFFFAOYSA-N 0 0 348.721 4.049 50 5 EIBARN Cc1ccnc(NCC2(c3ccncc3)CCCCC2)c1[N+](=O)[O-] ZINC000096011356 564144699 /nfs/dbraw/zinc/14/46/99/564144699.db2.gz QDATVUOASRUIIA-UHFFFAOYSA-N 0 0 326.400 4.007 50 5 EIBARN O=[N+]([O-])c1cc(CSc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000002618570 564151175 /nfs/dbraw/zinc/15/11/75/564151175.db2.gz VQTCWRXJDQKDEM-UHFFFAOYSA-N 0 0 337.784 4.407 50 5 EIBARN O=[N+]([O-])c1ccc([C@@H]2NN=C(c3cccc4ccccc43)S2)cc1 ZINC000002919679 564153019 /nfs/dbraw/zinc/15/30/19/564153019.db2.gz DKUJNYVCJHMEHC-QGZVFWFLSA-N 0 0 335.388 4.445 50 5 EIBARN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000002991946 564154232 /nfs/dbraw/zinc/15/42/32/564154232.db2.gz MWSCREQANDHGLW-UHFFFAOYSA-N 0 0 334.759 4.208 50 5 EIBARN O=[N+]([O-])c1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000003152776 564155511 /nfs/dbraw/zinc/15/55/11/564155511.db2.gz IEQWYJZOIWVFOS-UHFFFAOYSA-N 0 0 333.350 4.264 50 5 EIBARN Cc1c(NC(=O)CCCSc2ccccc2)cccc1[N+](=O)[O-] ZINC000003174404 564155661 /nfs/dbraw/zinc/15/56/61/564155661.db2.gz ZZORZBSTLZOWIV-UHFFFAOYSA-N 0 0 330.409 4.414 50 5 EIBARN CC(C)Cn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000058003245 564157140 /nfs/dbraw/zinc/15/71/40/564157140.db2.gz DFBMIWFTDQHQAM-UHFFFAOYSA-N 0 0 337.379 4.458 50 5 EIBARN C[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000058175551 564157980 /nfs/dbraw/zinc/15/79/80/564157980.db2.gz XGIJYYIORDVTOV-GFCCVEGCSA-N 0 0 347.802 4.151 50 5 EIBARN CC[C@@H](C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003515343 564158651 /nfs/dbraw/zinc/15/86/51/564158651.db2.gz SRTHOIWLNFWGNH-CYBMUJFWSA-N 0 0 328.368 4.126 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000058407130 564159008 /nfs/dbraw/zinc/15/90/08/564159008.db2.gz VSXCWKCNYIHHSK-ZDUSSCGKSA-N 0 0 333.731 4.256 50 5 EIBARN Cc1cc(C(=O)COc2c(C)ccc([N+](=O)[O-])c2C)c(C)n1C1CC1 ZINC000031459878 564159424 /nfs/dbraw/zinc/15/94/24/564159424.db2.gz FOPAXTBMVQDLGM-UHFFFAOYSA-N 0 0 342.395 4.227 50 5 EIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2ccccn2)cc1 ZINC000031752814 564159796 /nfs/dbraw/zinc/15/97/96/564159796.db2.gz OYSBWFLZOFLYED-UHFFFAOYSA-N 0 0 336.347 4.244 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1Oc1nc(C(F)F)nc2ccccc21 ZINC000066466118 564162562 /nfs/dbraw/zinc/16/25/62/564162562.db2.gz ZGNBJKPVYIOOLG-UHFFFAOYSA-N 0 0 347.277 4.277 50 5 EIBARN CC(=O)c1ccc(Sc2nnc(C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000008201804 564163556 /nfs/dbraw/zinc/16/35/56/564163556.db2.gz LJLPUGMYOHUYOF-UHFFFAOYSA-N 0 0 347.396 4.379 50 5 EIBARN Cc1ccc(OCCCn2cnc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000008708007 564166554 /nfs/dbraw/zinc/16/65/54/564166554.db2.gz OXVZJJAPAOADCM-UHFFFAOYSA-N 0 0 339.395 4.339 50 5 EIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC000008938278 564168055 /nfs/dbraw/zinc/16/80/55/564168055.db2.gz YSTFUFXFDJZDQV-GFCCVEGCSA-N 0 0 332.787 4.010 50 5 EIBARN CCOc1ccccc1OCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000004702137 210253142 /nfs/dbraw/zinc/25/31/42/210253142.db2.gz COJRPTSWFYVLTJ-UHFFFAOYSA-N 0 0 331.368 4.232 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000004680031 210245892 /nfs/dbraw/zinc/24/58/92/210245892.db2.gz UIILYRUBFBHISW-UHFFFAOYSA-N 0 0 348.786 4.353 50 5 EIBARN Cc1ccc(-c2cn3cc(-c4cccc([N+](=O)[O-])c4)n(C)c3n2)cc1 ZINC000004678303 210245180 /nfs/dbraw/zinc/24/51/80/210245180.db2.gz VCRIQANHBUGQKN-UHFFFAOYSA-N 0 0 332.363 4.223 50 5 EIBARN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000063175180 214748078 /nfs/dbraw/zinc/74/80/78/214748078.db2.gz UCZNBTZWNAROJN-JSGCOSHPSA-N 0 0 347.827 4.091 50 5 EIBARN O=C(Nc1cccc2c1CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058369768 214565008 /nfs/dbraw/zinc/56/50/08/214565008.db2.gz PJJLJMHRKISOSU-UHFFFAOYSA-N 0 0 335.363 4.207 50 5 EIBARN COc1ccc(NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004619765 210233634 /nfs/dbraw/zinc/23/36/34/210233634.db2.gz XXXWUUVFJXMCBW-UHFFFAOYSA-N 0 0 337.788 4.066 50 5 EIBARN CCCC1CCC(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)CC1 ZINC000004588503 210228068 /nfs/dbraw/zinc/22/80/68/210228068.db2.gz QLTUZPZOEDTOCP-ATVHPVEESA-N 0 0 342.395 4.498 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000004426335 210191219 /nfs/dbraw/zinc/19/12/19/210191219.db2.gz WJGBLBSCHKSPFU-ZWNOBZJWSA-N 0 0 343.210 4.433 50 5 EIBARN Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000004423198 210190314 /nfs/dbraw/zinc/19/03/14/210190314.db2.gz HGXSHYUCIHBFOJ-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1cc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c(C)c1 ZINC000004330837 210173391 /nfs/dbraw/zinc/17/33/91/210173391.db2.gz HWAAOZXCBPDSIT-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN Cc1ccc(C)c(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000004056330 210109241 /nfs/dbraw/zinc/10/92/41/210109241.db2.gz QEUSZPCSAZDZOZ-UHFFFAOYSA-N 0 0 342.395 4.318 50 5 EIBARN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000065885009 214998527 /nfs/dbraw/zinc/99/85/27/214998527.db2.gz FBFGEFQYOHWDGR-UHFFFAOYSA-N 0 0 348.786 4.083 50 5 EIBARN Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000004037304 210105749 /nfs/dbraw/zinc/10/57/49/210105749.db2.gz UJLANWFGDJWPIN-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN O=C(Nc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000003996146 210096705 /nfs/dbraw/zinc/09/67/05/210096705.db2.gz VQVPXVSXCUONNS-UHFFFAOYSA-N 0 0 332.359 4.365 50 5 EIBARN O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1F ZINC000067015932 215104113 /nfs/dbraw/zinc/10/41/13/215104113.db2.gz XXAWKCMAOYEAEB-UHFFFAOYSA-N 0 0 349.705 4.016 50 5 EIBARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc([N+](=O)[O-])o1 ZINC000003302123 210001473 /nfs/dbraw/zinc/00/14/73/210001473.db2.gz JIAWTOJULULEKP-UHFFFAOYSA-N 0 0 339.332 4.203 50 5 EIBARN O=C(c1cc2cc(Br)ccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000003268829 209993712 /nfs/dbraw/zinc/99/37/12/209993712.db2.gz LJWHLVPOKFCTTA-UHFFFAOYSA-N 0 0 346.136 4.335 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccncc1 ZINC000043342402 213576822 /nfs/dbraw/zinc/57/68/22/213576822.db2.gz XEENOWWDDGORQD-OAHLLOKOSA-N 0 0 346.774 4.012 50 5 EIBARN CCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002972507 209948103 /nfs/dbraw/zinc/94/81/03/209948103.db2.gz FTXKRSNNRSFUNF-UHFFFAOYSA-N 0 0 334.759 4.289 50 5 EIBARN O=C(NC1CCCC1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000002880021 209935547 /nfs/dbraw/zinc/93/55/47/209935547.db2.gz NXUDNEGWBQBJGW-UHFFFAOYSA-N 0 0 326.352 4.060 50 5 EIBARN Cc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1[N+](=O)[O-] ZINC000040510902 213327943 /nfs/dbraw/zinc/32/79/43/213327943.db2.gz CUFMDGHVLOHICG-UHFFFAOYSA-N 0 0 337.335 4.174 50 5 EIBARN CCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001778090 209793058 /nfs/dbraw/zinc/79/30/58/209793058.db2.gz KTQVUDRJEALYKO-DHZHZOJOSA-N 0 0 326.352 4.036 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cccc(Cl)c1 ZINC000040095708 213264179 /nfs/dbraw/zinc/26/41/79/213264179.db2.gz VDLMAKVNDRRJJY-UHFFFAOYSA-N 0 0 333.775 4.221 50 5 EIBARN O=C(CSc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])c[nH]1 ZINC000037353808 213139965 /nfs/dbraw/zinc/13/99/65/213139965.db2.gz DDZAHBYPJRGVLX-UHFFFAOYSA-N 0 0 331.180 4.205 50 5 EIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Br)c1 ZINC000000441479 209601491 /nfs/dbraw/zinc/60/14/91/209601491.db2.gz YPHVCWFHCMOJMC-RMKNXTFCSA-N 0 0 347.168 4.009 50 5 EIBARN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000000371418 209555849 /nfs/dbraw/zinc/55/58/49/209555849.db2.gz WIDKUDGZQLRHNI-LBPRGKRZSA-N 0 0 332.787 4.356 50 5 EIBARN O=[N+]([O-])c1ccccc1Sc1nnc2sc3ccccc3n12 ZINC000029147281 212654815 /nfs/dbraw/zinc/65/48/15/212654815.db2.gz NSJHKUSTKYLTNS-UHFFFAOYSA-N 0 0 328.378 4.003 50 5 EIBARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000000102894 209421997 /nfs/dbraw/zinc/42/19/97/209421997.db2.gz VNKILQNNNYOVJY-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 in-vivo EIBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(F)cc1 ZINC000000083591 209407801 /nfs/dbraw/zinc/40/78/01/209407801.db2.gz IDCFRSBLDRRDEG-UHFFFAOYSA-N 0 0 348.329 4.347 50 5 EIBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000000068134 209398407 /nfs/dbraw/zinc/39/84/07/209398407.db2.gz UUDLQDADAGOOHP-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN CC(C)(C)c1cccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 ZINC000026692250 212531307 /nfs/dbraw/zinc/53/13/07/212531307.db2.gz WDVVYCDZQQHLSM-UHFFFAOYSA-N 0 0 328.372 4.049 50 5 EIBARN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000023152107 212355489 /nfs/dbraw/zinc/35/54/89/212355489.db2.gz LVKYDMRGVVVDLS-HYSAVQALSA-N 0 0 336.391 4.144 50 5 EIBARN O=C(Nc1nc([N+](=O)[O-])cs1)c1cccc(Oc2ccccc2)c1 ZINC000022033011 212272039 /nfs/dbraw/zinc/27/20/39/212272039.db2.gz SSFNRAHZUWSXPT-UHFFFAOYSA-N 0 0 341.348 4.096 50 5 EIBARN Cc1cccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000021835569 212254937 /nfs/dbraw/zinc/25/49/37/212254937.db2.gz YOQKLLDQTJEFIN-KRWDZBQOSA-N 0 0 326.396 4.420 50 5 EIBARN COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(C)n1 ZINC000225473247 241882817 /nfs/dbraw/zinc/88/28/17/241882817.db2.gz JAFGWZPMKJCTBI-UHFFFAOYSA-N 0 0 343.386 4.352 50 5 EIBARN O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCCC4)N32)cc1 ZINC000019732714 212058856 /nfs/dbraw/zinc/05/88/56/212058856.db2.gz JCCUFLGXQUXPLE-RCCQNZRSSA-N 0 0 347.418 4.483 50 5 EIBARN CC(C)(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000089643036 217823125 /nfs/dbraw/zinc/82/31/25/217823125.db2.gz CCHRHHPCRMHSSC-UHFFFAOYSA-N 0 0 330.359 4.427 50 5 EIBARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000012137669 211301826 /nfs/dbraw/zinc/30/18/26/211301826.db2.gz JNEWXNZSHZUPEB-QGZVFWFLSA-N 0 0 328.368 4.008 50 5 EIBARN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2S1 ZINC000011055838 211202586 /nfs/dbraw/zinc/20/25/86/211202586.db2.gz IDEMCPALXPFAPV-GFCCVEGCSA-N 0 0 328.393 4.126 50 5 EIBARN O=C(CSc1nc2ccccc2c2ccccc21)NCc1ccco1 ZINC000010274589 211160505 /nfs/dbraw/zinc/16/05/05/211160505.db2.gz YXXRXCCZAWWHBZ-UHFFFAOYSA-N 0 0 348.427 4.390 50 5 EIBARN COc1ccc(NC(=O)CCCSc2ccccc2)c([N+](=O)[O-])c1 ZINC000010217839 211154604 /nfs/dbraw/zinc/15/46/04/211154604.db2.gz GBEDUHBJFHXMRP-UHFFFAOYSA-N 0 0 346.408 4.114 50 5 EIBARN Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccncc1 ZINC000009419406 211081745 /nfs/dbraw/zinc/08/17/45/211081745.db2.gz WQJOXSIEDCCQCZ-UHFFFAOYSA-N 0 0 328.350 4.320 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4o3)CC2)c(F)c1 ZINC000095350067 218284108 /nfs/dbraw/zinc/28/41/08/218284108.db2.gz HBVVSENHIMZINO-UHFFFAOYSA-N 0 0 341.342 4.259 50 5 EIBARN Cc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)o1 ZINC000008753783 211000499 /nfs/dbraw/zinc/00/04/99/211000499.db2.gz PTVYFFNLPMAKTB-UHFFFAOYSA-N 0 0 343.364 4.180 50 5 EIBARN CN(Cc1ccc2ccccc2c1)c1nc2sccn2c1[N+](=O)[O-] ZINC000008337410 210938549 /nfs/dbraw/zinc/93/85/49/210938549.db2.gz BBFXKTMKOWZEGJ-UHFFFAOYSA-N 0 0 338.392 4.094 50 5 EIBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc2cc(Br)ccc2c1 ZINC000006653682 210672071 /nfs/dbraw/zinc/67/20/71/210672071.db2.gz VOOFIXINXZTHNX-UHFFFAOYSA-N 0 0 348.156 4.036 50 5 EIBARN Cc1ccc(C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000004983499 210348266 /nfs/dbraw/zinc/34/82/66/210348266.db2.gz FEPHQZIOJPXDNC-UHFFFAOYSA-N 0 0 339.395 4.064 50 5 EIBARN O=[N+]([O-])c1c2nonc2ccc1Nc1cc(Cl)ccc1Cl ZINC000004974105 210344620 /nfs/dbraw/zinc/34/46/20/210344620.db2.gz BBYMHQGYGSHDFF-UHFFFAOYSA-N 0 0 325.111 4.181 50 5 EIBARN CSc1ccc(C(=O)Oc2c(C)ccc(C)c2C)cc1[N+](=O)[O-] ZINC000007007431 208571014 /nfs/dbraw/zinc/57/10/14/208571014.db2.gz 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Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000000370760 563297400 /nfs/dbraw/zinc/29/74/00/563297400.db2.gz YBEXYMBTVLZVNO-LBPRGKRZSA-N 0 0 332.787 4.356 50 5 EIBARN c1nc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn2n1)CCC5 ZINC000000550039 563344866 /nfs/dbraw/zinc/34/48/66/563344866.db2.gz JOHOIHIWSUIDNJ-UHFFFAOYSA-N 0 0 343.415 4.043 50 5 EIBARN Cc1c(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000032754291 563727657 /nfs/dbraw/zinc/72/76/57/563727657.db2.gz ODEZPFIDRBRKNA-CYBMUJFWSA-N 0 0 338.363 4.483 50 5 EIBARN O=[N+]([O-])c1ccc2oc(SCCCOc3ccccc3)nc2c1 ZINC000032754558 563728100 /nfs/dbraw/zinc/72/81/00/563728100.db2.gz OAEDLHDKDLFDBT-UHFFFAOYSA-N 0 0 330.365 4.297 50 5 EIBARN Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000043191275 563859999 /nfs/dbraw/zinc/85/99/99/563859999.db2.gz FFQYZAWDYAOLHS-UHFFFAOYSA-N 0 0 326.135 4.429 50 5 EIBARN O=C(Nc1nc2cc(Cl)ccc2s1)c1ccccc1[N+](=O)[O-] ZINC000013954867 563966493 /nfs/dbraw/zinc/96/64/93/563966493.db2.gz YJVWZSIPXNSAFA-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1cc(Cl)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000000073159 563973698 /nfs/dbraw/zinc/97/36/98/563973698.db2.gz KHRUHQKWDUDCPS-UHFFFAOYSA-N 0 0 326.135 4.429 50 5 EIBARN CC[C@H](C)OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000072219 563973728 /nfs/dbraw/zinc/97/37/28/563973728.db2.gz SVLLAXAZDANVTD-QMMMGPOBSA-N 0 0 337.319 4.047 50 5 EIBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000000084256 563974657 /nfs/dbraw/zinc/97/46/57/563974657.db2.gz ABDBNZVMPUBXCE-UHFFFAOYSA-N 0 0 349.368 4.171 50 5 EIBARN O=C(/C=C/C=C\c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033371838 563981190 /nfs/dbraw/zinc/98/11/90/563981190.db2.gz UFDNLXJVOAACOP-MVTUOISNSA-N 0 0 328.755 4.456 50 5 EIBARN O=C(NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000101781 563982169 /nfs/dbraw/zinc/98/21/69/563982169.db2.gz UTBVMYNXOUHZPV-UHFFFAOYSA-N 0 0 332.359 4.114 50 5 EIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000000102090 563982178 /nfs/dbraw/zinc/98/21/78/563982178.db2.gz WIUULVUZROYUNO-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000000104988 563982200 /nfs/dbraw/zinc/98/22/00/563982200.db2.gz FBJLVWSUYBUPAL-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN CC(C)(C)c1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000014019407 563982923 /nfs/dbraw/zinc/98/29/23/563982923.db2.gz KFSBEPUXFYDEEC-UHFFFAOYSA-N 0 0 346.334 4.180 50 5 EIBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000000175099 563987576 /nfs/dbraw/zinc/98/75/76/563987576.db2.gz IPZDTVXZDYEBFD-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN Cc1ccc2ccccc2c1/C(=C1/OC(=O)c2ccccc21)[N+](=O)[O-] ZINC000000293604 563990291 /nfs/dbraw/zinc/99/02/91/563990291.db2.gz FPUSVPXMEAAJIA-HNENSFHCSA-N 0 0 331.327 4.421 50 5 EIBARN CC(=O)c1ccc(NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000305928 563990768 /nfs/dbraw/zinc/99/07/68/563990768.db2.gz XTGGGFUHRVQTCA-YCRREMRBSA-N 0 0 344.754 4.103 50 5 EIBARN CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000000350615 563991503 /nfs/dbraw/zinc/99/15/03/563991503.db2.gz DGYUUOHYLSQHAK-UHFFFAOYSA-N 0 0 334.759 4.208 50 5 EIBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000376269 563991820 /nfs/dbraw/zinc/99/18/20/563991820.db2.gz QSMHOAKREKDQES-UHFFFAOYSA-N 0 0 328.368 4.153 50 5 EIBARN CC(C)(C)c1ccc(-c2nc(N)c3c(n2)c2ccccc2oc3=O)cc1 ZINC000000208973 563998253 /nfs/dbraw/zinc/99/82/53/563998253.db2.gz MSUBKRCPGGLFDH-UHFFFAOYSA-N 0 0 345.402 4.283 50 5 EIBARN C[C@H]1CCCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)C1 ZINC000000435210 563999290 /nfs/dbraw/zinc/99/92/90/563999290.db2.gz AIIBDHVBUAAFRX-VIFPVBQESA-N 0 0 338.816 4.335 50 5 EIBARN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000444234 563999605 /nfs/dbraw/zinc/99/96/05/563999605.db2.gz FRZWFKSGSMPEKO-UHFFFAOYSA-N 0 0 347.802 4.347 50 5 EIBARN CC[C@@H](C)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000000450163 563999748 /nfs/dbraw/zinc/99/97/48/563999748.db2.gz JPJCWCKBQCXVJY-UTSBKAFOSA-N 0 0 340.379 4.466 50 5 EIBARN Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000451274 563999758 /nfs/dbraw/zinc/99/97/58/563999758.db2.gz AAGRVCZPZVHAGG-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000461332 564000759 /nfs/dbraw/zinc/00/07/59/564000759.db2.gz DCKAVGUGRXPKDZ-SNVBAGLBSA-N 0 0 348.761 4.369 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000000555065 564022845 /nfs/dbraw/zinc/02/28/45/564022845.db2.gz NKINOKMLJASBGR-LBPRGKRZSA-N 0 0 346.408 4.031 50 5 EIBARN Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000580936 564024568 /nfs/dbraw/zinc/02/45/68/564024568.db2.gz GIEHVPPGZMDPOM-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CSc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000000611950 564031761 /nfs/dbraw/zinc/03/17/61/564031761.db2.gz NMWZBBCYTADASH-UHFFFAOYSA-N 0 0 348.449 4.189 50 5 EIBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000612352 564031840 /nfs/dbraw/zinc/03/18/40/564031840.db2.gz DCSQLTJAUOIPON-LLVKDONJSA-N 0 0 329.331 4.107 50 5 EIBARN CCN(Cc1ccc(Cl)s1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000018831446 564052681 /nfs/dbraw/zinc/05/26/81/564052681.db2.gz CFKOUXARMKVIHJ-UHFFFAOYSA-N 0 0 338.816 4.280 50 5 EIBARN Cc1ccc(NC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000000999996 564053836 /nfs/dbraw/zinc/05/38/36/564053836.db2.gz CIVOZVSBNJWMPR-UHFFFAOYSA-N 0 0 328.353 4.157 50 5 EIBARN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000087034952 564062432 /nfs/dbraw/zinc/06/24/32/564062432.db2.gz KVJABHKWMQMXGE-GOSISDBHSA-N 0 0 342.370 4.030 50 5 EIBARN Cc1c(NC(=O)c2csc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000012751888 564067039 /nfs/dbraw/zinc/06/70/39/564067039.db2.gz LGIFFDZXDJBIBF-UHFFFAOYSA-N 0 0 345.405 4.341 50 5 EIBARN C[C@H]1c2[nH]c3ccccc3c2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000084718153 564069809 /nfs/dbraw/zinc/06/98/09/564069809.db2.gz SESOAYZPIREFSU-AWEZNQCLSA-N 0 0 335.407 4.238 50 5 EIBARN Cc1cc(C(=O)Nc2cc(Cl)cc3cccnc32)ccc1[N+](=O)[O-] ZINC000012869914 564075989 /nfs/dbraw/zinc/07/59/89/564075989.db2.gz BNIKPUJYDSUVQZ-UHFFFAOYSA-N 0 0 341.754 4.357 50 5 EIBARN CSCc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000186069480 564076740 /nfs/dbraw/zinc/07/67/40/564076740.db2.gz DRDQBBJUCDXHNI-UHFFFAOYSA-N 0 0 336.800 4.364 50 5 EIBARN CCCCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000001829699 564088720 /nfs/dbraw/zinc/08/87/20/564088720.db2.gz KPRNXPNHVKZEAG-UHFFFAOYSA-N 0 0 337.379 4.027 50 5 EIBARN CCc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001892718 564089138 /nfs/dbraw/zinc/08/91/38/564089138.db2.gz VLQUJIJRYQNWSC-UHFFFAOYSA-N 0 0 330.409 4.029 50 5 EIBARN Cc1cc(N[C@@H]2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065512949 564106789 /nfs/dbraw/zinc/10/67/89/564106789.db2.gz RLZVXBNYQDAWCK-GOSISDBHSA-N 0 0 346.390 4.460 50 5 EIBARN COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1F ZINC000065568168 564107710 /nfs/dbraw/zinc/10/77/10/564107710.db2.gz 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332.787 4.356 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(c1ccccn1)C1CCCC1 ZINC000154740507 564137436 /nfs/dbraw/zinc/13/74/36/564137436.db2.gz XMGLDLWXKHHXGP-UHFFFAOYSA-N 0 0 345.786 4.233 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000022406160 564149329 /nfs/dbraw/zinc/14/93/29/564149329.db2.gz ADDNPEUZWRZOKC-GOSISDBHSA-N 0 0 346.814 4.198 50 5 EIBARN O=[N+]([O-])c1ccc(F)cc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000028187372 564150587 /nfs/dbraw/zinc/15/05/87/564150587.db2.gz KPOSSPBBGDPLIW-UHFFFAOYSA-N 0 0 349.705 4.016 50 5 EIBARN COc1ccccc1Sc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000002597998 564151083 /nfs/dbraw/zinc/15/10/83/564151083.db2.gz NRARLLMYBAMNCC-UHFFFAOYSA-N 0 0 327.365 4.145 50 5 EIBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1N ZINC000003207946 564155980 /nfs/dbraw/zinc/15/59/80/564155980.db2.gz ZDHBGYOCQMYZHQ-UHFFFAOYSA-N 0 0 340.408 4.131 50 5 EIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000004014299 564159982 /nfs/dbraw/zinc/15/99/82/564159982.db2.gz INKBUTIPPIBYJB-UHFFFAOYSA-N 0 0 339.395 4.146 50 5 EIBARN O=[N+]([O-])c1cc2c(cc1/C=C\c1nc3ccccc3s1)OCO2 ZINC000033463081 1025848738 /nfs/dbraw/zinc/84/87/38/1025848738.db2.gz DOGCLAIHPXMKMW-WAYWQWQTSA-N 0 0 326.333 4.104 50 5 EIBARN COc1ccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)c(OC)c1 ZINC000033472303 1047320648 /nfs/dbraw/zinc/32/06/48/1047320648.db2.gz BKXZPUDUDBYCDG-TWGQIWQCSA-N 0 0 336.347 4.331 50 5 EIBARN O=C(CSCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004724962 210260726 /nfs/dbraw/zinc/26/07/26/210260726.db2.gz OICWDDRFHGIYIR-UHFFFAOYSA-N 0 0 336.800 4.120 50 5 EIBARN O=[N+]([O-])c1ccc2nc(Cl)c([N+](=O)[O-])c(-c3ccccc3)c2c1 ZINC000004514917 210210033 /nfs/dbraw/zinc/21/00/33/210210033.db2.gz LIKRFLRUXPGASY-UHFFFAOYSA-N 0 0 329.699 4.372 50 5 EIBARN Cc1cc(Cl)cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000004330825 210172883 /nfs/dbraw/zinc/17/28/83/210172883.db2.gz PCPMYZMQXINGHQ-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1cccs1 ZINC000065567753 214964376 /nfs/dbraw/zinc/96/43/76/214964376.db2.gz CHDWBOPXEFCKDJ-OAHLLOKOSA-N 0 0 341.392 4.115 50 5 EIBARN CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004056332 210109416 /nfs/dbraw/zinc/10/94/16/210109416.db2.gz RHJLBHKGFVEFKZ-JLHYYAGUSA-N 0 0 340.379 4.426 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000004043743 210108082 /nfs/dbraw/zinc/10/80/82/210108082.db2.gz QJSVPQGIZSEFKU-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004043988 210107693 /nfs/dbraw/zinc/10/76/93/210107693.db2.gz YSECPEMCPVSRFA-IZZDOVSWSA-N 0 0 340.379 4.344 50 5 EIBARN O=[N+]([O-])c1ccc2nonc2c1N(Cc1ccccc1)c1ccccc1 ZINC000003904285 210088795 /nfs/dbraw/zinc/08/87/95/210088795.db2.gz DSXUMXAIPGGFJB-UHFFFAOYSA-N 0 0 346.346 4.469 50 5 EIBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000003552856 210053597 /nfs/dbraw/zinc/05/35/97/210053597.db2.gz OFSBWVLYDUGYLW-SECBINFHSA-N 0 0 339.178 4.393 50 5 EIBARN Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000002648676 209884342 /nfs/dbraw/zinc/88/43/42/209884342.db2.gz UJSUTIUOVIFZIT-UHFFFAOYSA-N 0 0 340.257 4.054 50 5 EIBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002657278 209885107 /nfs/dbraw/zinc/88/51/07/209885107.db2.gz YNHQYYWKJCGMRU-UHFFFAOYSA-N 0 0 328.368 4.153 50 5 EIBARN CC(C)(C)SC(=S)SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002161316 209825394 /nfs/dbraw/zinc/82/53/94/209825394.db2.gz QCHIXQQVGNQBIA-UHFFFAOYSA-N 0 0 329.468 4.327 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2cccc3cccnc32)c2ncccc12 ZINC000068823557 215337297 /nfs/dbraw/zinc/33/72/97/215337297.db2.gz LUIRFEHRGDYYHY-UHFFFAOYSA-N 0 0 330.347 4.303 50 5 EIBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000040153750 213274372 /nfs/dbraw/zinc/27/43/72/213274372.db2.gz KXGBAUFOFYPQHI-SNVBAGLBSA-N 0 0 345.786 4.306 50 5 EIBARN O=[N+]([O-])c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(F)c1 ZINC000040116541 213268501 /nfs/dbraw/zinc/26/85/01/213268501.db2.gz KVPQCCDJTSDFFD-UHFFFAOYSA-N 0 0 349.705 4.016 50 5 EIBARN CN(Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098672 213263784 /nfs/dbraw/zinc/26/37/84/213263784.db2.gz MIDFBIZASQNRRB-UHFFFAOYSA-N 0 0 337.738 4.051 50 5 EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1scnc1C1CCCC1 ZINC000183823583 235235265 /nfs/dbraw/zinc/23/52/65/235235265.db2.gz YPIKKWIKRUYWQJ-UHFFFAOYSA-N 0 0 335.360 4.100 50 5 EIBARN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000471718 209622116 /nfs/dbraw/zinc/62/21/16/209622116.db2.gz WTWVMOMTZUCOLM-SNVBAGLBSA-N 0 0 338.285 4.356 50 5 EIBARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000036620827 213104831 /nfs/dbraw/zinc/10/48/31/213104831.db2.gz GDNDJMBEPJZKGK-KRWDZBQOSA-N 0 0 325.368 4.272 50 5 EIBARN O=[N+]([O-])c1ccc(F)cc1OCc1csc(Cc2ccccc2)n1 ZINC000031647826 212740809 /nfs/dbraw/zinc/74/08/09/212740809.db2.gz UANALAVAYVUZNF-UHFFFAOYSA-N 0 0 344.367 4.360 50 5 EIBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000000282876 209517452 /nfs/dbraw/zinc/51/74/52/209517452.db2.gz QDYACUVANWIVJT-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1ccccc1C(=O)Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000090744 209413545 /nfs/dbraw/zinc/41/35/45/209413545.db2.gz SSKUMAXOBVWJHS-UHFFFAOYSA-N 0 0 325.242 4.141 50 5 EIBARN Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1Cl ZINC000000080713 209407069 /nfs/dbraw/zinc/40/70/69/209407069.db2.gz ADXVHBCEALSYTM-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000000069163 209399381 /nfs/dbraw/zinc/39/93/81/209399381.db2.gz BYJKZOHPHYKAQH-UHFFFAOYSA-N 0 0 338.363 4.421 50 5 EIBARN O=C(/C=C/c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000059706 209394438 /nfs/dbraw/zinc/39/44/38/209394438.db2.gz MXKLQQPJULJWLF-RMKNXTFCSA-N 0 0 347.168 4.009 50 5 EIBARN CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000024211275 212413523 /nfs/dbraw/zinc/41/35/23/212413523.db2.gz BYEFPQGQCYACTN-UHFFFAOYSA-N 0 0 347.802 4.455 50 5 EIBARN CC(C)c1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000023078087 212347242 /nfs/dbraw/zinc/34/72/42/212347242.db2.gz OYUWGOJTMHQSCG-UHFFFAOYSA-N 0 0 327.384 4.159 50 5 EIBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCc2ccccc21 ZINC000023151908 212355728 /nfs/dbraw/zinc/35/57/28/212355728.db2.gz RETZYQNEGWCEFM-QGZVFWFLSA-N 0 0 344.798 4.398 50 5 EIBARN Cc1c2cc(F)ccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000020674425 212161691 /nfs/dbraw/zinc/16/16/91/212161691.db2.gz ZJCCJRRWBSIFCO-UHFFFAOYSA-N 0 0 328.299 4.349 50 5 EIBARN Cc1ccc(OCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000019297555 212013223 /nfs/dbraw/zinc/01/32/23/212013223.db2.gz MMLXKBLMRZPKIU-UHFFFAOYSA-N 0 0 349.770 4.297 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@@H](c2cccs2)c2ccc(F)cc2)nc1 ZINC000013016012 211514013 /nfs/dbraw/zinc/51/40/13/211514013.db2.gz PREIWUAQJDEIHA-MRXNPFEDSA-N 0 0 329.356 4.392 50 5 EIBARN COc1ccc2oc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(C)c2c1 ZINC000007949548 210868423 /nfs/dbraw/zinc/86/84/23/210868423.db2.gz CTPANIPUNPWHPA-UHFFFAOYSA-N 0 0 344.298 4.049 50 5 EIBARN Cc1nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 ZINC000005578186 210494008 /nfs/dbraw/zinc/49/40/08/210494008.db2.gz QUFZEYMATVAKAL-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000005358332 210448887 /nfs/dbraw/zinc/44/88/87/210448887.db2.gz HUZNOPPWVQIPEC-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN CCc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1 ZINC000005093187 210388725 /nfs/dbraw/zinc/38/87/25/210388725.db2.gz YFUBKLPZCWCHCU-UHFFFAOYSA-N 0 0 338.323 4.357 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000005042070 210373470 /nfs/dbraw/zinc/37/34/70/210373470.db2.gz IOTWCJJUAOLVPK-UHFFFAOYSA-N 0 0 339.395 4.081 50 5 EIBARN CCNc1cc(Nc2cc(Cl)ccc2C)c([N+](=O)[O-])c2nonc21 ZINC000005030118 210367013 /nfs/dbraw/zinc/36/70/13/210367013.db2.gz FUJSYDSJKAGNIP-UHFFFAOYSA-N 0 0 347.762 4.268 50 5 EIBARN Cc1ccc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC000005016524 210362914 /nfs/dbraw/zinc/36/29/14/210362914.db2.gz HMWJBAVBAXUCPT-UHFFFAOYSA-N 0 0 334.372 4.082 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(OC)c2n1 ZINC000005013571 210360919 /nfs/dbraw/zinc/36/09/19/210360919.db2.gz DVIYDTJKLARPIY-VQHVLOKHSA-N 0 0 336.347 4.331 50 5 EIBARN COc1ccc(C)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1C ZINC000004999178 210355222 /nfs/dbraw/zinc/35/52/22/210355222.db2.gz DJOFSEHCIBPMCH-UHFFFAOYSA-N 0 0 331.397 4.029 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F ZINC000004923455 210323594 /nfs/dbraw/zinc/32/35/94/210323594.db2.gz JSGFHKKFDPQTTO-UHFFFAOYSA-N 0 0 325.246 4.258 50 5 EIBARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004903034 210317068 /nfs/dbraw/zinc/31/70/68/210317068.db2.gz XRZWVIGKBYGDHF-JXMROGBWSA-N 0 0 347.168 4.009 50 5 EIBARN CCCNc1ccc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000004839845 210294748 /nfs/dbraw/zinc/29/47/48/210294748.db2.gz IUGXVZYKZJRLIN-UHFFFAOYSA-N 0 0 339.395 4.010 50 5 EIBARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004831982 210290622 /nfs/dbraw/zinc/29/06/22/210290622.db2.gz AHYZXHCTAOKODE-GFCCVEGCSA-N 0 0 346.408 4.031 50 5 EIBARN Cc1csc(C2(NCc3cc(F)ccc3[N+](=O)[O-])CCCC2)n1 ZINC000177170921 257954020 /nfs/dbraw/zinc/95/40/20/257954020.db2.gz NEJTVIJGRDRMHG-UHFFFAOYSA-N 0 0 335.404 4.058 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1-c1ccccc1 ZINC000160272027 225377909 /nfs/dbraw/zinc/37/79/09/225377909.db2.gz LITGELMUJDGOQC-DOTOQJQBSA-N 0 0 339.395 4.026 50 5 EIBARN O=[N+]([O-])c1ccc(-c2csc3nnc4c5ccccc5nc-4n23)cc1 ZINC000000383319 563300941 /nfs/dbraw/zinc/30/09/41/563300941.db2.gz QDZSRCQEGQSGTC-UHFFFAOYSA-N 0 0 347.359 4.019 50 5 EIBARN COc1ccc2c3ccc(OC(=O)c4ccccc4)cc3oc(=O)c2c1 ZINC000001061139 563371863 /nfs/dbraw/zinc/37/18/63/563371863.db2.gz BDUIPQDQCNHOCA-UHFFFAOYSA-N 0 0 346.338 4.174 50 5 biogenic EIBARN Cc1nn2c(=O)c3c(-c4ccccc4)csc3nc2c2ccccc12 ZINC000002696207 563602002 /nfs/dbraw/zinc/60/20/02/563602002.db2.gz DCLCZFWKZFGPEN-UHFFFAOYSA-N 0 0 343.411 4.433 50 5 EIBARN COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 ZINC000008207747 563623491 /nfs/dbraw/zinc/62/34/91/563623491.db2.gz PIKXZMYWRHVFPX-UHFFFAOYSA-N 0 0 340.379 4.054 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccccc2)cc1 ZINC000015408247 563784133 /nfs/dbraw/zinc/78/41/33/563784133.db2.gz ADJXKPAPVIYFFR-UHFFFAOYSA-N 0 0 348.358 4.426 50 5 EIBARN O=c1c2cccc3c(Br)ccc(c4nc5ccccc5n41)c32 ZINC000000199115 563917029 /nfs/dbraw/zinc/91/70/29/563917029.db2.gz GMHAZZMVKAUVPL-UHFFFAOYSA-N 0 0 349.187 4.354 50 5 EIBARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000013856391 563935204 /nfs/dbraw/zinc/93/52/04/563935204.db2.gz NIKVNJHECTXSNG-INIZCTEOSA-N 0 0 348.786 4.353 50 5 EIBARN COc1ccc(N(C)C(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000058269978 563941373 /nfs/dbraw/zinc/94/13/73/563941373.db2.gz UMVJZOJLMISSOK-UHFFFAOYSA-N 0 0 343.386 4.068 50 5 EIBARN C[C@@H]1C[C@H](C)CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000013930246 563962214 /nfs/dbraw/zinc/96/22/14/563962214.db2.gz DPRAFSUVXUZUOC-DTORHVGOSA-N 0 0 347.293 4.004 50 5 EIBARN Cc1nn(-c2ccccc2)c(C)c1NCc1cccc([N+](=O)[O-])c1C ZINC000097104254 563967615 /nfs/dbraw/zinc/96/76/15/563967615.db2.gz LBDQDUGUOJBPBJ-UHFFFAOYSA-N 0 0 336.395 4.318 50 5 EIBARN Cc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000000106579 563982158 /nfs/dbraw/zinc/98/21/58/563982158.db2.gz UKNYFDBNDNSWIN-UHFFFAOYSA-N 0 0 330.731 4.350 50 5 EIBARN O=c1[nH]c(C=Cc2ccc([N+](=O)[O-])cc2)nc2cc3ccccc3cc12 ZINC000033398775 563983603 /nfs/dbraw/zinc/98/36/03/563983603.db2.gz YYPPVFMFCPGXKL-YFHOEESVSA-N 0 0 343.342 4.155 50 5 EIBARN Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000122492 563986795 /nfs/dbraw/zinc/98/67/95/563986795.db2.gz MISCPAPMTQGHLZ-UHFFFAOYSA-N 0 0 326.135 4.429 50 5 EIBARN O=c1oc2ccc3ccccc3c2cc1-c1ccc2c(c1)OCCO2 ZINC000000138791 563987064 /nfs/dbraw/zinc/98/70/64/563987064.db2.gz LRDNJNNYFPAACE-UHFFFAOYSA-N 0 0 330.339 4.384 50 5 biogenic EIBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000000165795 563987478 /nfs/dbraw/zinc/98/74/78/563987478.db2.gz IXWOXFCYHHCEBV-UHFFFAOYSA-N 0 0 346.211 4.144 50 5 EIBARN Cc1ccc2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000000175239 563987564 /nfs/dbraw/zinc/98/75/64/563987564.db2.gz YRHUZMBNJLKEGD-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN CCNc1cc(C)c(C)cc1-n1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000000196146 563988092 /nfs/dbraw/zinc/98/80/92/563988092.db2.gz CBTDUVDISNMPNT-UHFFFAOYSA-N 0 0 336.395 4.496 50 5 EIBARN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000266466 563989973 /nfs/dbraw/zinc/98/99/73/563989973.db2.gz IJLQDAYBDKOARW-UHFFFAOYSA-N 0 0 326.283 4.246 50 5 EIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000292953 563990295 /nfs/dbraw/zinc/99/02/95/563990295.db2.gz WTWDOCFFMOGBCH-UHFFFAOYSA-N 0 0 325.151 4.083 50 5 EIBARN CCOc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000303497 563990816 /nfs/dbraw/zinc/99/08/16/563990816.db2.gz DETKAPAXKYBEAG-CSKARUKUSA-N 0 0 346.770 4.299 50 5 EIBARN O=C(/C=C\c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000033456202 563992183 /nfs/dbraw/zinc/99/21/83/563992183.db2.gz UJQWXZXKRSQPAW-KMKOMSMNSA-N 0 0 347.168 4.009 50 5 EIBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1Cl ZINC000000438796 563999316 /nfs/dbraw/zinc/99/93/16/563999316.db2.gz DIHDPSHSOBZZNY-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN COc1ccc(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 ZINC000000457124 563999821 /nfs/dbraw/zinc/99/98/21/563999821.db2.gz GDCZPTCEVVYFAW-UHFFFAOYSA-N 0 0 326.135 4.141 50 5 EIBARN COc1ccc(OCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000005195866 564000289 /nfs/dbraw/zinc/00/02/89/564000289.db2.gz CJQGSWBGWXPWQE-UHFFFAOYSA-N 0 0 342.376 4.306 50 5 EIBARN CCCc1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005207102 564000606 /nfs/dbraw/zinc/00/06/06/564000606.db2.gz XGRNXLIRCBRYRM-UHFFFAOYSA-N 0 0 329.359 4.095 50 5 EIBARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000464292 564000727 /nfs/dbraw/zinc/00/07/27/564000727.db2.gz XTYCOVQAROQMMO-CYBMUJFWSA-N 0 0 342.395 4.298 50 5 EIBARN Cc1cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000000466074 564000775 /nfs/dbraw/zinc/00/07/75/564000775.db2.gz ALEYJIBXBLISNL-LBPRGKRZSA-N 0 0 348.786 4.271 50 5 EIBARN COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000005360970 564003098 /nfs/dbraw/zinc/00/30/98/564003098.db2.gz RZYSWFJAVQZKTM-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN CC(C)Oc1ccc(CC[C@@H](C)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000048289777 564030515 /nfs/dbraw/zinc/03/05/15/564030515.db2.gz FBXYTECKAOFGBB-CQSZACIVSA-N 0 0 329.400 4.210 50 5 EIBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1c1ccsc1 ZINC000048323428 564030895 /nfs/dbraw/zinc/03/08/95/564030895.db2.gz QFIHVPVXNVEGAT-AWEZNQCLSA-N 0 0 341.392 4.115 50 5 EIBARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000025328666 564054084 /nfs/dbraw/zinc/05/40/84/564054084.db2.gz WYBADNMUEOMVBK-NSHDSACASA-N 0 0 348.786 4.090 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025314376 564054116 /nfs/dbraw/zinc/05/41/16/564054116.db2.gz VCNUXZAJDOVILZ-INIZCTEOSA-N 0 0 329.331 4.103 50 5 EIBARN O=C(Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1)c1cccs1 ZINC000025369691 564054190 /nfs/dbraw/zinc/05/41/90/564054190.db2.gz OJOSQYPEDLDSAU-UHFFFAOYSA-N 0 0 341.348 4.096 50 5 EIBARN O=[N+]([O-])c1c2nsnc2ccc1Sc1ccc2ccccc2n1 ZINC000001071123 564054256 /nfs/dbraw/zinc/05/42/56/564054256.db2.gz RVDQMRKBSLWQKK-UHFFFAOYSA-N 0 0 340.389 4.299 50 5 EIBARN CCNc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005939492 564057116 /nfs/dbraw/zinc/05/71/16/564057116.db2.gz CWWNPEXMXZFWJJ-UHFFFAOYSA-N 0 0 333.775 4.241 50 5 EIBARN CCC(C)(C)c1ccc2c(c1)NC(=O)c1cccc([N+](=O)[O-])c1CO2 ZINC000001390728 564064404 /nfs/dbraw/zinc/06/44/04/564064404.db2.gz FMPHHZXDIXVMRR-UHFFFAOYSA-N 0 0 340.379 4.427 50 5 EIBARN C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1nc(C2CC2)no1 ZINC000084667683 564069490 /nfs/dbraw/zinc/06/94/90/564069490.db2.gz SEDIQVWRZBDHSS-ZETCQYMHSA-N 0 0 348.409 4.318 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000012983537 564085768 /nfs/dbraw/zinc/08/57/68/564085768.db2.gz GSLJBEJNDUPLKK-CQSZACIVSA-N 0 0 347.371 4.093 50 5 EIBARN Cc1nc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)co1 ZINC000012983436 564085773 /nfs/dbraw/zinc/08/57/73/564085773.db2.gz GAFHAAUTNLFFBK-UHFFFAOYSA-N 0 0 337.335 4.119 50 5 EIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1csc(-c2cccs2)n1 ZINC000013018254 564086850 /nfs/dbraw/zinc/08/68/50/564086850.db2.gz XVXJQRIFAFJEKN-UHFFFAOYSA-N 0 0 349.368 4.171 50 5 EIBARN Cc1nn2c(nccc2-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(F)cc1 ZINC000006756752 564097147 /nfs/dbraw/zinc/09/71/47/564097147.db2.gz GKERBDIKBWXBCK-UHFFFAOYSA-N 0 0 348.337 4.419 50 5 EIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)CCCC2 ZINC000007067102 564104611 /nfs/dbraw/zinc/10/46/11/564104611.db2.gz SWXUHRNYXSWJAI-AWEZNQCLSA-N 0 0 338.407 4.307 50 5 EIBARN Cc1cc(N[C@H]2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065512950 564106773 /nfs/dbraw/zinc/10/67/73/564106773.db2.gz RLZVXBNYQDAWCK-SFHVURJKSA-N 0 0 346.390 4.460 50 5 EIBARN COc1ccc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc1 ZINC000253407018 564130645 /nfs/dbraw/zinc/13/06/45/564130645.db2.gz JLNDADLAOUIJIE-UHFFFAOYSA-N 0 0 345.358 4.249 50 5 EIBARN CCN(CC)c1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 ZINC000002566833 564150959 /nfs/dbraw/zinc/15/09/59/564150959.db2.gz AKVJORXFBHGDIH-UHFFFAOYSA-N 0 0 338.363 4.214 50 5 EIBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000002620679 564151210 /nfs/dbraw/zinc/15/12/10/564151210.db2.gz GBOLORJIPZKGQG-UHFFFAOYSA-N 0 0 326.135 4.163 50 5 EIBARN CC(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000002751415 564152413 /nfs/dbraw/zinc/15/24/13/564152413.db2.gz HZDROUUCNHVQDK-UHFFFAOYSA-N 0 0 345.405 4.314 50 5 EIBARN O=C(Nc1cccnc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002872661 564152881 /nfs/dbraw/zinc/15/28/81/564152881.db2.gz RFIQIVYAUDLTBL-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1cc(C(C)C)cc(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000002989421 564154185 /nfs/dbraw/zinc/15/41/85/564154185.db2.gz QKZKQUVEPHAVED-UHFFFAOYSA-N 0 0 349.408 4.103 50 5 EIBARN CC[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000003125068 564155282 /nfs/dbraw/zinc/15/52/82/564155282.db2.gz YQYBZRJNPSCVTO-SJKOYZFVSA-N 0 0 329.352 4.040 50 5 EIBARN C[C@@H](OC(=O)CCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058004465 564157102 /nfs/dbraw/zinc/15/71/02/564157102.db2.gz UKEOYLDDJWBIGM-LLVKDONJSA-N 0 0 335.306 4.110 50 5 EIBARN CC(=O)c1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003504004 564158534 /nfs/dbraw/zinc/15/85/34/564158534.db2.gz JBZVXWRNSKCGOG-UHFFFAOYSA-N 0 0 349.799 4.260 50 5 EIBARN Cc1c(CN2CCn3cccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000058406463 564158978 /nfs/dbraw/zinc/15/89/78/564158978.db2.gz PTLPUNVVOHKISU-OAQYLSRUSA-N 0 0 347.418 4.310 50 5 EIBARN COc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2c1 ZINC000041156429 564173596 /nfs/dbraw/zinc/17/35/96/564173596.db2.gz SRNYHQJNPAVFJU-UHFFFAOYSA-N 0 0 340.335 4.219 50 5 EIBARN O=[N+]([O-])c1c(NC[C@@H]2CCN(c3ccccc3)C2)ccc2ncccc21 ZINC000052001427 214112559 /nfs/dbraw/zinc/11/25/59/214112559.db2.gz JGQOQWILDCNCDW-HNNXBMFYSA-N 0 0 348.406 4.081 50 5 EIBARN O=[N+]([O-])c1cccc(-c2noc(CNc3cccc4ccccc43)n2)c1 ZINC000055824685 214342946 /nfs/dbraw/zinc/34/29/46/214342946.db2.gz WQWTVJRDURHPDL-UHFFFAOYSA-N 0 0 346.346 4.410 50 5 EIBARN O=C(CCCc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004672935 210242690 /nfs/dbraw/zinc/24/26/90/210242690.db2.gz AGROGKWLGKFRBN-UHFFFAOYSA-N 0 0 341.392 4.166 50 5 EIBARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000059285690 214615690 /nfs/dbraw/zinc/61/56/90/214615690.db2.gz JNPCRAAFOIPRAS-HNNXBMFYSA-N 0 0 342.395 4.248 50 5 EIBARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCCC1 ZINC000004542791 210217547 /nfs/dbraw/zinc/21/75/47/210217547.db2.gz JVZPCLUBHPPPDA-ZRDIBKRKSA-N 0 0 340.379 4.317 50 5 EIBARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004531903 210215616 /nfs/dbraw/zinc/21/56/16/210215616.db2.gz UTZCIAJCQOAVLS-AWEZNQCLSA-N 0 0 339.395 4.427 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(C)cc1 ZINC000004496532 210203954 /nfs/dbraw/zinc/20/39/54/210203954.db2.gz GJEQCLICBMVBDR-UHFFFAOYSA-N 0 0 346.408 4.033 50 5 EIBARN Cc1nc(CCNC(=O)c2cc3ccccc3c3cccnc23)cs1 ZINC000046762995 213807586 /nfs/dbraw/zinc/80/75/86/213807586.db2.gz IDQAZEBMIXHFJZ-UHFFFAOYSA-N 0 0 347.443 4.125 50 5 EIBARN Cc1nc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2s1 ZINC000004079349 210114922 /nfs/dbraw/zinc/11/49/22/210114922.db2.gz OPJOTWOZNGUKRI-UHFFFAOYSA-N 0 0 328.353 4.157 50 5 EIBARN CCc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004043749 210106962 /nfs/dbraw/zinc/10/69/62/210106962.db2.gz YIWMWGZLFIJITR-UHFFFAOYSA-N 0 0 342.395 4.263 50 5 EIBARN COc1cccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003414899 210032933 /nfs/dbraw/zinc/03/29/33/210032933.db2.gz MDWQMMOJGYZLBP-UHFFFAOYSA-N 0 0 337.788 4.066 50 5 EIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1c(F)cccc1Cl ZINC000003414781 210033017 /nfs/dbraw/zinc/03/30/17/210033017.db2.gz UFHRRNNIAHGASX-CMDGGOBGSA-N 0 0 335.718 4.144 50 5 EIBARN O=[N+]([O-])c1ccc2c(c1)[nH]c(=S)n2-c1cccc(C(F)(F)F)c1 ZINC000003289670 209997767 /nfs/dbraw/zinc/99/77/67/209997767.db2.gz DDYSDPWKGASINW-UHFFFAOYSA-N 0 0 339.298 4.241 50 5 EIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000002626270 209877021 /nfs/dbraw/zinc/87/70/21/209877021.db2.gz IFEDTXJNFZIHEH-UHFFFAOYSA-N 0 0 328.221 4.005 50 5 EIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000104045481 219342179 /nfs/dbraw/zinc/34/21/79/219342179.db2.gz GALMZVSQNDRCKL-AATRIKPKSA-N 0 0 349.686 4.235 50 5 EIBARN O=[N+]([O-])c1ccc(OCCCCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002164927 209826123 /nfs/dbraw/zinc/82/61/23/209826123.db2.gz PALCOFOSTAKMDG-UHFFFAOYSA-N 0 0 346.339 4.131 50 5 EIBARN O=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000068814769 215337529 /nfs/dbraw/zinc/33/75/29/215337529.db2.gz DCTYSKWUJVYFBT-UHFFFAOYSA-N 0 0 345.443 4.038 50 5 EIBARN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000000461198 209615011 /nfs/dbraw/zinc/61/50/11/209615011.db2.gz DPCSQOSXIAFMQP-UHFFFAOYSA-N 0 0 342.420 4.372 50 5 EIBARN O=[N+]([O-])c1cccc(-c2csc([C@@H]3COc4ccccc4O3)n2)c1 ZINC000000438653 209599688 /nfs/dbraw/zinc/59/96/88/209599688.db2.gz OCAQDTLWUHHCOK-INIZCTEOSA-N 0 0 340.360 4.231 50 5 EIBARN CCCn1cnc2cc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000035453646 213029201 /nfs/dbraw/zinc/02/92/01/213029201.db2.gz SVYJMANFMPEDAA-UHFFFAOYSA-N 0 0 349.350 4.072 50 5 EIBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000000424072 209587074 /nfs/dbraw/zinc/58/70/74/209587074.db2.gz PXKCOHVHRUVHEI-HNNXBMFYSA-N 0 0 334.784 4.027 50 5 EIBARN CCN(CC)C(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000000257407 209507205 /nfs/dbraw/zinc/50/72/05/209507205.db2.gz DRDBYIASCGNTBF-UHFFFAOYSA-N 0 0 348.399 4.367 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccc(Cl)cc1 ZINC000000068856 209399203 /nfs/dbraw/zinc/39/92/03/209399203.db2.gz ZDPRCTFNRLTPSU-INIZCTEOSA-N 0 0 348.811 4.136 50 5 EIBARN COc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000061951 209395307 /nfs/dbraw/zinc/39/53/07/209395307.db2.gz WQUCUHIAOIPUMX-UHFFFAOYSA-N 0 0 327.365 4.471 50 5 EIBARN Cc1nc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000000060444 209394525 /nfs/dbraw/zinc/39/45/25/209394525.db2.gz MRILEBMVJDTSRT-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN CCc1ccc2c(CC(=O)Nc3cccc([N+](=O)[O-])c3C)coc2c1 ZINC000023243954 212363590 /nfs/dbraw/zinc/36/35/90/212363590.db2.gz OTCNLGGSFPUVMI-UHFFFAOYSA-N 0 0 338.363 4.393 50 5 EIBARN C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000241446939 242992865 /nfs/dbraw/zinc/99/28/65/242992865.db2.gz NPTVNMDQIPCEFO-MIFYACCESA-N 0 0 334.419 4.074 50 5 EIBARN Cc1ccc(-c2noc(-c3ccc(NC(C)C)c([N+](=O)[O-])c3)n2)cc1 ZINC000020897681 212182938 /nfs/dbraw/zinc/18/29/38/212182938.db2.gz BCTOVQDVGJQWGL-UHFFFAOYSA-N 0 0 338.367 4.441 50 5 EIBARN C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017068164 211949242 /nfs/dbraw/zinc/94/92/42/211949242.db2.gz QCCXSFWIDSDTIS-JTQLQIEISA-N 0 0 331.759 4.231 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000015837647 211859309 /nfs/dbraw/zinc/85/93/09/211859309.db2.gz KZUMQBASFZDQLY-ZDUSSCGKSA-N 0 0 347.396 4.034 50 5 EIBARN Cc1ccc(NC(=O)COc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000015410280 211822813 /nfs/dbraw/zinc/82/28/13/211822813.db2.gz VIFUKBSGVGJJOO-UHFFFAOYSA-N 0 0 336.347 4.074 50 5 EIBARN Cc1c(C(=O)Nc2ccc(-c3nccs3)cc2)cccc1[N+](=O)[O-] ZINC000014109386 211683929 /nfs/dbraw/zinc/68/39/29/211683929.db2.gz VIVINJZEFOZRHH-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN Cc1nc(COc2cccnc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000089558556 217812494 /nfs/dbraw/zinc/81/24/94/217812494.db2.gz HIPGKVAHOXJCDP-UHFFFAOYSA-N 0 0 345.742 4.186 50 5 EIBARN Cc1ccc([C@@H]2CCCN2c2nc3ccccn3c2[N+](=O)[O-])cc1C ZINC000089643196 217823294 /nfs/dbraw/zinc/82/32/94/217823294.db2.gz NXXLFQGEGVXPMF-INIZCTEOSA-N 0 0 336.395 4.201 50 5 EIBARN O=C(CCc1ccc2ccccc2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000089878753 217869743 /nfs/dbraw/zinc/86/97/43/217869743.db2.gz FNXZHUXBTGSOMH-UHFFFAOYSA-N 0 0 346.386 4.270 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000009750805 211122740 /nfs/dbraw/zinc/12/27/40/211122740.db2.gz IQJLDIKFAKJWNZ-UHFFFAOYSA-N 0 0 325.246 4.258 50 5 EIBARN Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cccnc1 ZINC000009419704 211080747 /nfs/dbraw/zinc/08/07/47/211080747.db2.gz QAUKBDKWYRSGCI-UHFFFAOYSA-N 0 0 328.350 4.320 50 5 EIBARN Cc1nc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2s1 ZINC000006510134 210645058 /nfs/dbraw/zinc/64/50/58/210645058.db2.gz HDFVTKPRBOBBKT-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN CC(=O)Nc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000006514663 210644680 /nfs/dbraw/zinc/64/46/80/210644680.db2.gz MYIZHJVZWCERPY-RUDMXATFSA-N 0 0 339.376 4.333 50 5 EIBARN O=[N+]([O-])c1cccc(CSc2nnc(/C=C/c3ccccc3)o2)c1 ZINC000005772221 210533727 /nfs/dbraw/zinc/53/37/27/210533727.db2.gz AYXIDLCNKLOUOR-MDZDMXLPSA-N 0 0 339.376 4.441 50 5 EIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000005512936 210478771 /nfs/dbraw/zinc/47/87/71/210478771.db2.gz SQBVEYQEWDHDIT-XCVCLJGOSA-N 0 0 347.168 4.009 50 5 EIBARN Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000005093884 210388256 /nfs/dbraw/zinc/38/82/56/210388256.db2.gz DADQOQFGSAXNER-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005064274 210379745 /nfs/dbraw/zinc/37/97/45/210379745.db2.gz JIWFSYHVFOEQMB-UHFFFAOYSA-N 0 0 344.411 4.148 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)cc1F ZINC000005042030 210372332 /nfs/dbraw/zinc/37/23/32/210372332.db2.gz GENGKSKBMCPASR-UHFFFAOYSA-N 0 0 339.710 4.040 50 5 EIBARN CCc1cccc2c(C(=O)COc3cc(F)ccc3[N+](=O)[O-])c[nH]c21 ZINC000004975847 210347143 /nfs/dbraw/zinc/34/71/43/210347143.db2.gz NATAUUZTDRHYEN-UHFFFAOYSA-N 0 0 342.326 4.039 50 5 EIBARN Cc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000328588327 258045663 /nfs/dbraw/zinc/04/56/63/258045663.db2.gz BWYZXZOOOAESQR-FQEVSTJZSA-N 0 0 333.391 4.177 50 5 EIBARN COc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000194718 563257359 /nfs/dbraw/zinc/25/73/59/563257359.db2.gz QBTJBINWILUPFD-UHFFFAOYSA-N 0 0 345.354 4.207 50 5 EIBARN O=[N+]([O-])c1ccc(-n2nncc2-c2cc(Cl)ccc2Cl)cc1 ZINC000032929420 563839543 /nfs/dbraw/zinc/83/95/43/563839543.db2.gz LCMRFPPKNFMVRG-UHFFFAOYSA-N 0 0 335.150 4.149 50 5 EIBARN Cc1cc(F)cc(C(=O)Nc2cccc(Cl)c2F)c1[N+](=O)[O-] ZINC000175729124 563905274 /nfs/dbraw/zinc/90/52/74/563905274.db2.gz PUSUSCQJWNXOLZ-UHFFFAOYSA-N 0 0 326.686 4.087 50 5 EIBARN COc1ccc(COc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000261494453 563926419 /nfs/dbraw/zinc/92/64/19/563926419.db2.gz YBXWUUMWZAJEOA-UHFFFAOYSA-N 0 0 327.258 4.201 50 5 EIBARN O=C(NC1CCCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660683 563963507 /nfs/dbraw/zinc/96/35/07/563963507.db2.gz DSBHLPIGGUNZIA-UHFFFAOYSA-N 0 0 345.443 4.038 50 5 EIBARN Cc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C ZINC000004701813 563964784 /nfs/dbraw/zinc/96/47/84/563964784.db2.gz VQTWYVLJXRGZST-UHFFFAOYSA-N 0 0 338.407 4.433 50 5 EIBARN O=C(Oc1ccc(C2SCCS2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000042302 563968606 /nfs/dbraw/zinc/96/86/06/563968606.db2.gz SWCVPXKFSKTDNC-UHFFFAOYSA-N 0 0 347.417 4.293 50 5 EIBARN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000000098222 563976438 /nfs/dbraw/zinc/97/64/38/563976438.db2.gz LFVLOIVALBOWMM-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN Cc1cccc(C(=O)Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000000090657 563976478 /nfs/dbraw/zinc/97/64/78/563976478.db2.gz RKPJFTCYWKZXRY-UHFFFAOYSA-N 0 0 325.242 4.141 50 5 EIBARN COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102780 563982152 /nfs/dbraw/zinc/98/21/52/563982152.db2.gz KPUDIXQZXQOLQS-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN Cc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 ZINC000000138460 563987026 /nfs/dbraw/zinc/98/70/26/563987026.db2.gz YHDNXFHTEPBCOK-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)o1 ZINC000000171000 563987597 /nfs/dbraw/zinc/98/75/97/563987597.db2.gz VWAHOSIDSAZEIJ-UHFFFAOYSA-N 0 0 326.283 4.246 50 5 EIBARN Cc1c(C(=O)N(Cc2ccccc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000000209596 563988308 /nfs/dbraw/zinc/98/83/08/563988308.db2.gz DUUSPHJJRISQCG-UHFFFAOYSA-N 0 0 347.374 4.145 50 5 EIBARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000253600 563989474 /nfs/dbraw/zinc/98/94/74/563989474.db2.gz ASKNXFKXBLWAGK-LBPRGKRZSA-N 0 0 348.786 4.271 50 5 EIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl ZINC000000292801 563990283 /nfs/dbraw/zinc/99/02/83/563990283.db2.gz WGPOMDBZYVWHJW-UHFFFAOYSA-N 0 0 325.151 4.083 50 5 EIBARN Cc1cc2occ(CC(=O)OCc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000005628185 564006697 /nfs/dbraw/zinc/00/66/97/564006697.db2.gz DLIAPLRPZCJITA-UHFFFAOYSA-N 0 0 339.347 4.244 50 5 EIBARN Cc1nnc2c([N+](=O)[O-])c(-c3ccccc3)c3cc(Cl)ccc3n12 ZINC000000506510 564019509 /nfs/dbraw/zinc/01/95/09/564019509.db2.gz YRWXCABVDIFFSX-UHFFFAOYSA-N 0 0 338.754 4.420 50 5 EIBARN COc1ccc(Cl)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000609222 564027146 /nfs/dbraw/zinc/02/71/46/564027146.db2.gz DXCJPVMSHPSMOJ-UHFFFAOYSA-N 0 0 335.747 4.209 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2cc(-c3ccccc3)no2)c2ccncc21 ZINC000045802215 564028695 /nfs/dbraw/zinc/02/86/95/564028695.db2.gz BWDVBSIJADGUDL-UHFFFAOYSA-N 0 0 346.346 4.410 50 5 EIBARN CN(Cc1csc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000047701956 564029668 /nfs/dbraw/zinc/02/96/68/564029668.db2.gz GOPDYLPTHXEOQO-UHFFFAOYSA-N 0 0 341.230 4.051 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000000860375 564051040 /nfs/dbraw/zinc/05/10/40/564051040.db2.gz WWEXPUVSHJEXBZ-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN Cc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)o1 ZINC000001055697 564054242 /nfs/dbraw/zinc/05/42/42/564054242.db2.gz CFDCMHNRUFHYOY-UHFFFAOYSA-N 0 0 343.364 4.180 50 5 EIBARN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000012622259 564060984 /nfs/dbraw/zinc/06/09/84/564060984.db2.gz RNKQKNYSNNJDFO-UHFFFAOYSA-N 0 0 349.368 4.171 50 5 EIBARN Cc1nc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000001426289 564066277 /nfs/dbraw/zinc/06/62/77/564066277.db2.gz IMIIXLWHJLFLSC-RUDMXATFSA-N 0 0 339.376 4.165 50 5 EIBARN C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000084636430 564069266 /nfs/dbraw/zinc/06/92/66/564069266.db2.gz LTHKRPRYEKQECC-SECBINFHSA-N 0 0 335.743 4.464 50 5 EIBARN C[C@H](Cc1ccc(-c2ccccc2)cc1)Nc1c([N+](=O)[O-])ncn1C ZINC000084640730 564069322 /nfs/dbraw/zinc/06/93/22/564069322.db2.gz UDTQJVDBMOVYEE-CQSZACIVSA-N 0 0 336.395 4.038 50 5 EIBARN COc1ccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000001752719 564087209 /nfs/dbraw/zinc/08/72/09/564087209.db2.gz QSZBOPNSGSMKNN-UHFFFAOYSA-N 0 0 339.710 4.040 50 5 EIBARN Cc1cc(C)c(C)c(C(=O)CSc2ncccc2[N+](=O)[O-])c1C ZINC000089568925 564092918 /nfs/dbraw/zinc/09/29/18/564092918.db2.gz DMHQKDUZCVIQPU-UHFFFAOYSA-N 0 0 330.409 4.198 50 5 EIBARN Cc1[nH]c2ccc(CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2c1C ZINC000064901462 564097518 /nfs/dbraw/zinc/09/75/18/564097518.db2.gz BBTRODHJXLMSIS-CSKARUKUSA-N 0 0 349.390 4.023 50 5 EIBARN O=[N+]([O-])c1cc(NC(=S)Nc2cccc(Cl)c2)ccc1F ZINC000006787709 564097784 /nfs/dbraw/zinc/09/77/84/564097784.db2.gz BDZPVKVQOLYJNM-UHFFFAOYSA-N 0 0 325.752 4.196 50 5 EIBARN O=C(Nc1scnc1-c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000071794719 564111156 /nfs/dbraw/zinc/11/11/56/564111156.db2.gz RJHPXTVLSCWRFU-UHFFFAOYSA-N 0 0 343.339 4.110 50 5 EIBARN CC(=O)c1c(C)cc(C)c(COc2ccc(C)nc2[N+](=O)[O-])c1C ZINC000027125867 564117559 /nfs/dbraw/zinc/11/75/59/564117559.db2.gz UNNDXKGPGBTSCZ-UHFFFAOYSA-N 0 0 328.368 4.005 50 5 EIBARN O=c1oc2c(ccc3c2CN(c2cccc(F)c2)CO3)c2ccccc12 ZINC000002125896 564118493 /nfs/dbraw/zinc/11/84/93/564118493.db2.gz UBKXQYDOJDQCOQ-UHFFFAOYSA-N 0 0 347.345 4.442 50 5 biogenic EIBARN Cc1ccc(-c2ccc([N+](=O)[O-])c(OCC(=O)c3ccccc3)n2)cc1 ZINC000146609596 564129560 /nfs/dbraw/zinc/12/95/60/564129560.db2.gz KVYSZZYCELCCMR-UHFFFAOYSA-N 0 0 348.358 4.227 50 5 EIBARN COc1ccc2[nH]c(C)c(-c3cnc4ccc([N+](=O)[O-])cc4n3)c2c1 ZINC000077024333 564134153 /nfs/dbraw/zinc/13/41/53/564134153.db2.gz NABVMRLETXQSPZ-UHFFFAOYSA-N 0 0 334.335 4.003 50 5 EIBARN CCCCn1c2ncn([C@@H](C)CC)c(=O)c2c2nc3ccccc3nc21 ZINC000002407018 564134630 /nfs/dbraw/zinc/13/46/30/564134630.db2.gz IYVRFRDBQGMBLA-ZDUSSCGKSA-N 0 0 349.438 4.066 50 5 EIBARN Cc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-] ZINC000012861814 564135668 /nfs/dbraw/zinc/13/56/68/564135668.db2.gz BFFNIDSNHCWIDF-CYBMUJFWSA-N 0 0 342.420 4.434 50 5 EIBARN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000013141403 564136058 /nfs/dbraw/zinc/13/60/58/564136058.db2.gz JVFLSQBBYPEOCZ-UHFFFAOYSA-N 0 0 325.368 4.038 50 5 EIBARN O=C(NCc1ccc(Cl)nc1)c1cc2ccccc2c2cccnc12 ZINC000078978852 564137530 /nfs/dbraw/zinc/13/75/30/564137530.db2.gz KCZMHFZIFUTHIV-UHFFFAOYSA-N 0 0 347.805 4.366 50 5 EIBARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000007968515 564145804 /nfs/dbraw/zinc/14/58/04/564145804.db2.gz USTFSRJCBDIXON-UHFFFAOYSA-N 0 0 347.326 4.045 50 5 EIBARN CCCCOc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000002834848 564152822 /nfs/dbraw/zinc/15/28/22/564152822.db2.gz GUDFKMOVZZAJQN-UHFFFAOYSA-N 0 0 329.352 4.131 50 5 EIBARN O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1CCCCCC1 ZINC000002881620 564152915 /nfs/dbraw/zinc/15/29/15/564152915.db2.gz KAZDJDMKBIJSQB-UHFFFAOYSA-N 0 0 340.379 4.403 50 5 EIBARN Cc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003071169 564154926 /nfs/dbraw/zinc/15/49/26/564154926.db2.gz MODZGEMCCGWWSB-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN O=C(CSCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003080958 564155022 /nfs/dbraw/zinc/15/50/22/564155022.db2.gz CYNFQXUJTVWVKR-UHFFFAOYSA-N 0 0 336.800 4.120 50 5 EIBARN O=[N+]([O-])c1ccc(Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000003097938 564155091 /nfs/dbraw/zinc/15/50/91/564155091.db2.gz HMNVREUITHREJF-UHFFFAOYSA-N 0 0 327.321 4.202 50 5 EIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC000008938275 564168062 /nfs/dbraw/zinc/16/80/62/564168062.db2.gz YSTFUFXFDJZDQV-LBPRGKRZSA-N 0 0 332.787 4.010 50 5 EIBARN O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000000443745 1025847312 /nfs/dbraw/zinc/84/73/12/1025847312.db2.gz QQALYURNVIZPEL-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cc2ccccc2o1 ZINC000052610251 214137231 /nfs/dbraw/zinc/13/72/31/214137231.db2.gz DJOSYVFUKIELDY-NSHDSACASA-N 0 0 349.346 4.313 50 5 EIBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(Cc1ccco1)CO2 ZINC000054278273 214229286 /nfs/dbraw/zinc/22/92/86/214229286.db2.gz IDZHELGONAVHKB-UHFFFAOYSA-N 0 0 347.370 4.200 50 5 EIBARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004694366 210249598 /nfs/dbraw/zinc/24/95/98/210249598.db2.gz JODYQKONKBKISJ-UHFFFAOYSA-N 0 0 334.759 4.044 50 5 EIBARN COC(=O)c1ccc(/C=C\c2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000098053782 219074328 /nfs/dbraw/zinc/07/43/28/219074328.db2.gz FFXQYRUUICMEPB-WTKPLQERSA-N 0 0 340.360 4.162 50 5 EIBARN COc1ccc(NC(=O)CCSc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004496533 210203524 /nfs/dbraw/zinc/20/35/24/210203524.db2.gz MXMWVRXLEWHQAO-UHFFFAOYSA-N 0 0 346.408 4.033 50 5 EIBARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004043985 210107068 /nfs/dbraw/zinc/10/70/68/210107068.db2.gz SBPNZVPERKDITA-YRNVUSSQSA-N 0 0 340.379 4.344 50 5 EIBARN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004042149 210105883 /nfs/dbraw/zinc/10/58/83/210105883.db2.gz NCRAHBOPMUPYQQ-UHFFFAOYSA-N 0 0 334.759 4.046 50 5 EIBARN COc1ccc2c(c1[N+](=O)[O-])CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000003780812 210075383 /nfs/dbraw/zinc/07/53/83/210075383.db2.gz QDFCXLJPTBSDPF-BFDPJXHCSA-N 0 0 329.396 4.029 50 5 EIBARN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000003613341 210066600 /nfs/dbraw/zinc/06/66/00/210066600.db2.gz OZJWOHJYZHFVPL-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN CCc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000003433573 210038870 /nfs/dbraw/zinc/03/88/70/210038870.db2.gz HNQFXPYRHGKQGQ-UHFFFAOYSA-N 0 0 330.409 4.196 50 5 EIBARN COc1ccc(O)c(C(=O)c2cnc3ccc4ccccc4c3c2)c1 ZINC000003324769 210006623 /nfs/dbraw/zinc/00/66/23/210006623.db2.gz VIWZDQUPJRBZHH-UHFFFAOYSA-N 0 0 329.355 4.333 50 5 EIBARN CCOc1cc2c(cc1CNc1cccc(F)c1[N+](=O)[O-])O[C@@H](C)C2 ZINC000069326937 215379095 /nfs/dbraw/zinc/37/90/95/215379095.db2.gz FVONASUAHUKRQY-NSHDSACASA-N 0 0 346.358 4.068 50 5 EIBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1Cl ZINC000040087673 213259861 /nfs/dbraw/zinc/25/98/61/213259861.db2.gz NFMDYUWQDDRLBP-UHFFFAOYSA-N 0 0 336.750 4.050 50 5 EIBARN O=[N+]([O-])c1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000000611251 209675877 /nfs/dbraw/zinc/67/58/77/209675877.db2.gz PAKQAHNCXZCIGZ-UHFFFAOYSA-N 0 0 340.448 4.225 50 5 aggregator EIBARN Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2cccnc2)cc1 ZINC000000411576 209575583 /nfs/dbraw/zinc/57/55/83/209575583.db2.gz YLOJNQNOVBIYRT-UHFFFAOYSA-N 0 0 347.374 4.145 50 5 EIBARN O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc(F)cc1 ZINC000000381402 209561402 /nfs/dbraw/zinc/56/14/02/209561402.db2.gz VAIVYSRSSBLOSA-UHFFFAOYSA-N 0 0 333.318 4.338 50 5 EIBARN COc1cc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000331100 209539444 /nfs/dbraw/zinc/53/94/44/209539444.db2.gz ZWKDKASEHPYMGV-UHFFFAOYSA-N 0 0 340.310 4.148 50 5 EIBARN O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000314343 209532112 /nfs/dbraw/zinc/53/21/12/209532112.db2.gz MQESUZXXTWVWDR-UHFFFAOYSA-N 0 0 348.358 4.317 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1Cl ZINC000000310483 209528891 /nfs/dbraw/zinc/52/88/91/209528891.db2.gz GNSRIRLXZDQFEA-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN COc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000258352 209506965 /nfs/dbraw/zinc/50/69/65/209506965.db2.gz LFTSRMWIDOLOQW-UHFFFAOYSA-N 0 0 338.319 4.116 50 5 EIBARN Cc1[nH]c2ccccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N ZINC000000134659 209442340 /nfs/dbraw/zinc/44/23/40/209442340.db2.gz SIHXQNHQMMNBOX-IBGZPJMESA-N 0 0 330.347 4.180 50 5 EIBARN O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000103017 209421338 /nfs/dbraw/zinc/42/13/38/209421338.db2.gz PXVXFKBLINMDBY-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN O=[N+]([O-])c1cnc(N[C@H](CC2CCOCC2)c2ccccc2)s1 ZINC000225696435 241991926 /nfs/dbraw/zinc/99/19/26/241991926.db2.gz FGVWPMYXQIWINO-CQSZACIVSA-N 0 0 333.413 4.021 50 5 EIBARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000253617099 244039549 /nfs/dbraw/zinc/03/95/49/244039549.db2.gz DTXNPOBNJOPXJO-QMNUTNMBSA-N 0 0 333.472 4.203 50 5 EIBARN CC(C)(CNc1ncccc1[N+](=O)[O-])SCc1ccc(F)cc1 ZINC000020405319 212125643 /nfs/dbraw/zinc/12/56/43/212125643.db2.gz JHHQQARUOFZRIL-UHFFFAOYSA-N 0 0 335.404 4.253 50 5 EIBARN Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000012815743 211464163 /nfs/dbraw/zinc/46/41/63/211464163.db2.gz HTIKDUBYDNAZMT-UHFFFAOYSA-N 0 0 328.299 4.349 50 5 EIBARN C[C@H](SC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011445056 211218788 /nfs/dbraw/zinc/21/87/88/211218788.db2.gz VTZOWXQLFVYGGH-VIFPVBQESA-N 0 0 328.821 4.251 50 5 EIBARN O=C(c1nc2ccccc2n1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000009260797 211059476 /nfs/dbraw/zinc/05/94/76/211059476.db2.gz HYHBQMPVLKVFPC-UHFFFAOYSA-N 0 0 343.342 4.165 50 5 EIBARN COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1O ZINC000006787988 210711223 /nfs/dbraw/zinc/71/12/23/210711223.db2.gz LBVURYFVMMXKMC-XVNBXDOJSA-N 0 0 328.349 4.089 50 5 EIBARN Cc1c(NC(=O)CCCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000006786253 210711296 /nfs/dbraw/zinc/71/12/96/210711296.db2.gz GGBDAVZOJXZZIC-UHFFFAOYSA-N 0 0 337.379 4.346 50 5 EIBARN O=[N+]([O-])c1ccc2sc(/C=C/c3ccc4c(c3)OCCO4)nc2c1 ZINC000006510153 210644894 /nfs/dbraw/zinc/64/48/94/210644894.db2.gz DFBDDBKCDGAZDB-QHHAFSJGSA-N 0 0 340.360 4.146 50 5 EIBARN CC[C@H](C)n1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000005484494 210472469 /nfs/dbraw/zinc/47/24/69/210472469.db2.gz ACLPZPYDLNFYGF-NSHDSACASA-N 0 0 336.395 4.042 50 5 EIBARN COc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000005318671 210438208 /nfs/dbraw/zinc/43/82/08/210438208.db2.gz CKFXGIOHNGCDBS-UHFFFAOYSA-N 0 0 326.359 4.335 50 5 EIBARN CCc1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005208614 210413855 /nfs/dbraw/zinc/41/38/55/210413855.db2.gz YQXKZZIBQGBYRA-UHFFFAOYSA-N 0 0 331.400 4.173 50 5 EIBARN C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1 ZINC000005093838 210387729 /nfs/dbraw/zinc/38/77/29/210387729.db2.gz BVYYQHPLJQOBCW-CQSZACIVSA-N 0 0 343.382 4.437 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)on1 ZINC000005078271 210384665 /nfs/dbraw/zinc/38/46/65/210384665.db2.gz HZRNKHMEUXBUPY-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000005050398 210375728 /nfs/dbraw/zinc/37/57/28/210375728.db2.gz HNGGIEYEORMSTL-UHFFFAOYSA-N 0 0 345.443 4.038 50 5 EIBARN O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005041677 210371990 /nfs/dbraw/zinc/37/19/90/210371990.db2.gz KYSQXSGYLYPVMV-UHFFFAOYSA-N 0 0 340.166 4.223 50 5 EIBARN Cc1ccc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c(C)c1 ZINC000005019831 210363963 /nfs/dbraw/zinc/36/39/63/210363963.db2.gz BSMHOHKAJAAUCT-UHFFFAOYSA-N 0 0 334.372 4.082 50 5 EIBARN O=C(c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)N1CCCC1 ZINC000004857233 210303276 /nfs/dbraw/zinc/30/32/76/210303276.db2.gz ICKZBPFUVSTILQ-UHFFFAOYSA-N 0 0 346.770 4.277 50 5 EIBARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004844627 210297671 /nfs/dbraw/zinc/29/76/71/210297671.db2.gz WJZXVIOMZCMVNF-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN O=C(Nc1cccnc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000004843220 210297384 /nfs/dbraw/zinc/29/73/84/210297384.db2.gz IFMYMUUCBUOSBF-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN O=[N+]([O-])c1ccc(N2CC=C(c3ccccc3)CC2)c2ccncc21 ZINC000012558220 135696801 /nfs/dbraw/zinc/69/68/01/135696801.db2.gz NEHCQWMCNONPBH-UHFFFAOYSA-N 0 0 331.375 4.437 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)nc1-c1ccccc1 ZINC000160271812 225376098 /nfs/dbraw/zinc/37/60/98/225376098.db2.gz LITGELMUJDGOQC-RDJZCZTQSA-N 0 0 339.395 4.026 50 5 EIBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(F)cc1 ZINC000017068211 563831988 /nfs/dbraw/zinc/83/19/88/563831988.db2.gz STCKZTBQLHCWBL-UHFFFAOYSA-N 0 0 332.334 4.457 50 5 EIBARN N=c1oc2ccc3ccccc3c2cc1C(=O)NCCc1ccccc1 ZINC000017071520 563834696 /nfs/dbraw/zinc/83/46/96/563834696.db2.gz WVILYNCDAWISKY-UHFFFAOYSA-N 0 0 342.398 4.038 50 5 EIBARN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC000043342374 563864343 /nfs/dbraw/zinc/86/43/43/563864343.db2.gz POCAUOVVPJQNRK-INIZCTEOSA-N 0 0 345.786 4.399 50 5 EIBARN CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H](c1ccc(F)cc1)C1CC1 ZINC000072307712 563915840 /nfs/dbraw/zinc/91/58/40/563915840.db2.gz BPECOGDOTUEIGU-CYBMUJFWSA-N 0 0 346.387 4.031 50 5 EIBARN Cc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C ZINC000002897248 563918691 /nfs/dbraw/zinc/91/86/91/563918691.db2.gz OMLLHRIHMHUPMG-UHFFFAOYSA-N 0 0 334.169 4.205 50 5 EIBARN CC(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000007984825 563966003 /nfs/dbraw/zinc/96/60/03/563966003.db2.gz COYILXFPFZYGFR-UHFFFAOYSA-N 0 0 325.368 4.141 50 5 EIBARN O=[N+]([O-])c1c(N2CCCCC[C@@H]2c2ccco2)nc2sccn21 ZINC000097163717 563968434 /nfs/dbraw/zinc/96/84/34/563968434.db2.gz ABSWNKGXXWSXPS-LLVKDONJSA-N 0 0 332.385 4.019 50 5 EIBARN O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)nc3ncccn32)cc1 ZINC000000088564 563974631 /nfs/dbraw/zinc/97/46/31/563974631.db2.gz BRCKXNVTTZPZJR-UHFFFAOYSA-N 0 0 348.387 4.456 50 5 EIBARN O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000000153740 563987378 /nfs/dbraw/zinc/98/73/78/563987378.db2.gz SVVIVJQFEIJBPS-UHFFFAOYSA-N 0 0 326.135 4.293 50 5 EIBARN Cc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1C ZINC000000179733 563987591 /nfs/dbraw/zinc/98/75/91/563987591.db2.gz AFXSNIBQIOHNPS-UHFFFAOYSA-N 0 0 346.342 4.165 50 5 EIBARN CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000187558 563987891 /nfs/dbraw/zinc/98/78/91/563987891.db2.gz KHLACIUAQRXVJC-SFHVURJKSA-N 0 0 337.379 4.073 50 5 EIBARN CC1=CC(C)(C)N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000000208752 563988323 /nfs/dbraw/zinc/98/83/23/563988323.db2.gz YKIHXRWCJMDZCI-UHFFFAOYSA-N 0 0 336.391 4.480 50 5 EIBARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000253599 563989490 /nfs/dbraw/zinc/98/94/90/563989490.db2.gz ASKNXFKXBLWAGK-GFCCVEGCSA-N 0 0 348.786 4.271 50 5 EIBARN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1[N+](=O)[O-] ZINC000000309322 563990822 /nfs/dbraw/zinc/99/08/22/563990822.db2.gz MTNJLZBYRTTXJK-UHFFFAOYSA-N 0 0 328.368 4.117 50 5 EIBARN C[C@@H](CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 ZINC000000303077 563990830 /nfs/dbraw/zinc/99/08/30/563990830.db2.gz XCJRXPUYESSRBG-NSHDSACASA-N 0 0 341.392 4.337 50 5 EIBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000370200 563991810 /nfs/dbraw/zinc/99/18/10/563991810.db2.gz KOUVPVCFPACACH-UHFFFAOYSA-N 0 0 337.335 4.119 50 5 EIBARN Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000000437244 563999315 /nfs/dbraw/zinc/99/93/15/563999315.db2.gz SUCWNDRVOJEVJG-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000000445052 563999527 /nfs/dbraw/zinc/99/95/27/563999527.db2.gz KUQKVHOYPWTUBC-UHFFFAOYSA-N 0 0 339.395 4.083 50 5 EIBARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000443801 563999551 /nfs/dbraw/zinc/99/95/51/563999551.db2.gz OLHMPYRGLIFSMQ-UHFFFAOYSA-N 0 0 346.358 4.183 50 5 EIBARN O=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000000454505 563999726 /nfs/dbraw/zinc/99/97/26/563999726.db2.gz GLHYMSJCILWESU-UHFFFAOYSA-N 0 0 326.135 4.293 50 5 EIBARN CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000000455369 563999801 /nfs/dbraw/zinc/99/98/01/563999801.db2.gz BJVLQOGKAFQVQU-UHFFFAOYSA-N 0 0 335.363 4.066 50 5 EIBARN CC(C)c1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005206346 564000698 /nfs/dbraw/zinc/00/06/98/564000698.db2.gz FPILZIAMQYKFKY-UHFFFAOYSA-N 0 0 329.359 4.266 50 5 EIBARN Cc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1[N+](=O)[O-] ZINC000000463377 564000820 /nfs/dbraw/zinc/00/08/20/564000820.db2.gz PZSCLZPYDXOVBT-UHFFFAOYSA-N 0 0 346.412 4.055 50 5 EIBARN Cc1nn2c(nccc2-c2cccc([N+](=O)[O-])c2)c1-c1ccc(F)cc1 ZINC000005484813 564004589 /nfs/dbraw/zinc/00/45/89/564004589.db2.gz 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564054507 /nfs/dbraw/zinc/05/45/07/564054507.db2.gz UYANCJJIXKQUIK-WCVKEAJASA-N 0 0 325.368 4.159 50 5 EIBARN Cc1ccccc1N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000025572713 564056261 /nfs/dbraw/zinc/05/62/61/564056261.db2.gz IZQUYIAHZOQSRD-XNTDXEJSSA-N 0 0 340.360 4.144 50 5 EIBARN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1C ZINC000012555687 564059342 /nfs/dbraw/zinc/05/93/42/564059342.db2.gz ZWNFVVVTYJOYAL-UHFFFAOYSA-N 0 0 327.384 4.042 50 5 EIBARN CC(=O)Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 ZINC000001261268 564062794 /nfs/dbraw/zinc/06/27/94/564062794.db2.gz PGKRXPGXYXDZLW-UHFFFAOYSA-N 0 0 336.372 4.028 50 5 EIBARN Cc1cc(OCc2coc(-c3cccc(F)c3)n2)ccc1[N+](=O)[O-] ZINC000026050839 564074216 /nfs/dbraw/zinc/07/42/16/564074216.db2.gz VRBKHSJWDSSHFR-UHFFFAOYSA-N 0 0 328.299 4.276 50 5 EIBARN C[C@H](c1ccco1)N(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086368632 564075554 /nfs/dbraw/zinc/07/55/54/564075554.db2.gz NJYFZZKZPAOUCR-QWHCGFSZSA-N 0 0 343.383 4.184 50 5 EIBARN O=C(Nc1cccc2ccccc21)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000075260639 564081315 /nfs/dbraw/zinc/08/13/15/564081315.db2.gz MKYFYIDIYVPOKC-UHFFFAOYSA-N 0 0 342.742 4.440 50 5 EIBARN COc1ccc(-c2cc3nnc4c5ccccc5ccc4n3n2)cc1 ZINC000075283626 564081437 /nfs/dbraw/zinc/08/14/37/564081437.db2.gz OGZQWTRKBYCKER-UHFFFAOYSA-N 0 0 326.359 4.106 50 5 EIBARN O=[N+]([O-])c1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000006269143 564083344 /nfs/dbraw/zinc/08/33/44/564083344.db2.gz UTDQOTUOBYQASR-UHFFFAOYSA-N 0 0 342.336 4.370 50 5 EIBARN COc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006378008 564085343 /nfs/dbraw/zinc/08/53/43/564085343.db2.gz GVTLSQYGFPNJFP-UHFFFAOYSA-N 0 0 342.134 4.129 50 5 EIBARN CCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2ccccc21 ZINC000006700981 564096179 /nfs/dbraw/zinc/09/61/79/564096179.db2.gz HQXVXYITBVFUGV-UHFFFAOYSA-N 0 0 339.395 4.010 50 5 EIBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)o2)cc1 ZINC000007192776 564105646 /nfs/dbraw/zinc/10/56/46/564105646.db2.gz WJXITGVASQWZPU-UHFFFAOYSA-N 0 0 331.328 4.076 50 5 EIBARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007406462 564108004 /nfs/dbraw/zinc/10/80/04/564108004.db2.gz HHMABKUGOCAFTE-UHFFFAOYSA-N 0 0 339.178 4.174 50 5 EIBARN C[C@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000065609343 564108277 /nfs/dbraw/zinc/10/82/77/564108277.db2.gz HKNNKNIBKFPDDF-SUMWQHHRSA-N 0 0 329.400 4.150 50 5 EIBARN COc1ccc([C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000042110051 564110730 /nfs/dbraw/zinc/11/07/30/564110730.db2.gz BPWORDAUAWGBIA-GOSISDBHSA-N 0 0 349.390 4.493 50 5 EIBARN COc1ccc2oc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000007737433 564122424 /nfs/dbraw/zinc/12/24/24/564122424.db2.gz DULMRTDGTKDKDU-UHFFFAOYSA-N 0 0 341.319 4.015 50 5 EIBARN O=C(C[C@H](c1ccccc1)[C@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000002258878 564125350 /nfs/dbraw/zinc/12/53/50/564125350.db2.gz XNDSARCVLSJXDS-QZTJIDSGSA-N 0 0 337.375 4.321 50 5 EIBARN O=C(C[C@H](c1ccccc1)[C@@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000002258880 564125359 /nfs/dbraw/zinc/12/53/59/564125359.db2.gz XNDSARCVLSJXDS-ZWKOTPCHSA-N 0 0 337.375 4.321 50 5 EIBARN COc1cc2c(cc1[N+](=O)[O-])[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 ZINC000257357480 564134864 /nfs/dbraw/zinc/13/48/64/564134864.db2.gz OGJQXEWFCAGBJC-BFDPJXHCSA-N 0 0 329.396 4.029 50 5 EIBARN O=[N+]([O-])c1ccc(CCNc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000002903736 564152975 /nfs/dbraw/zinc/15/29/75/564152975.db2.gz RHOGJKLRLPILQR-UHFFFAOYSA-N 0 0 337.335 4.311 50 5 EIBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000003087213 564155058 /nfs/dbraw/zinc/15/50/58/564155058.db2.gz CIUHKPXHDFFXCR-UHFFFAOYSA-N 0 0 344.326 4.062 50 5 EIBARN Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1c(F)cccc1Cl ZINC000003207286 564155957 /nfs/dbraw/zinc/15/59/57/564155957.db2.gz QIWKQHQOTPQNNX-CYBMUJFWSA-N 0 0 332.762 4.449 50 5 EIBARN C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000008053889 564162423 /nfs/dbraw/zinc/16/24/23/564162423.db2.gz OQMGIZXUBJFXJA-AWEZNQCLSA-N 0 0 347.374 4.394 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000067031293 564164967 /nfs/dbraw/zinc/16/49/67/564164967.db2.gz IMZVGRKSUGUDJP-GOSISDBHSA-N 0 0 336.347 4.016 50 5 EIBARN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000071827948 564175671 /nfs/dbraw/zinc/17/56/71/564175671.db2.gz UCZNBTZWNAROJN-OCCSQVGLSA-N 0 0 347.827 4.091 50 5 EIBARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000000304714 568417601 /nfs/dbraw/zinc/41/76/01/568417601.db2.gz NKIJNFMSYDSAJK-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 in-vivo EIBARN O=[N+]([O-])c1ccc(Nc2cnn(Cc3ccccc3)c2)c2ccncc21 ZINC000052488591 214131338 /nfs/dbraw/zinc/13/13/38/214131338.db2.gz OHZWTSVJTRTVJA-UHFFFAOYSA-N 0 0 345.362 4.131 50 5 EIBARN CC1CCN(C(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000004542667 210217335 /nfs/dbraw/zinc/21/73/35/210217335.db2.gz HGYYPZZXHBUCOT-UHFFFAOYSA-N 0 0 342.395 4.046 50 5 EIBARN COc1cc2nc3c4ccccc4n(CC(C)C)c3nc2cc1OC ZINC000004513694 210210509 /nfs/dbraw/zinc/21/05/09/210210509.db2.gz XPOKTBCTSXWVAX-UHFFFAOYSA-N 0 0 335.407 4.411 50 5 EIBARN O=[N+]([O-])c1cccnc1Sc1nccc(/C=C/c2ccccc2)n1 ZINC000004052294 210108648 /nfs/dbraw/zinc/10/86/48/210108648.db2.gz PPSGMZTWRKFOIH-CMDGGOBGSA-N 0 0 336.376 4.101 50 5 EIBARN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004042159 210106419 /nfs/dbraw/zinc/10/64/19/210106419.db2.gz TWTMJMYIMAMKPE-UHFFFAOYSA-N 0 0 348.786 4.354 50 5 EIBARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004037730 210106171 /nfs/dbraw/zinc/10/61/71/210106171.db2.gz QIKXUMQXLSSRNC-UHFFFAOYSA-N 0 0 348.358 4.279 50 5 EIBARN COc1ccc(Cl)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000003902511 210088646 /nfs/dbraw/zinc/08/86/46/210088646.db2.gz QOBNBCISSSYVCZ-UHFFFAOYSA-N 0 0 337.788 4.066 50 5 EIBARN CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003873953 210082009 /nfs/dbraw/zinc/08/20/09/210082009.db2.gz ZSDSQXJSNMTJDA-UHFFFAOYSA-N 0 0 335.282 4.148 50 5 aggregator,in-vitro EIBARN Cc1cccc(C(=O)Nc2cc(F)ccc2OC(C)C)c1[N+](=O)[O-] ZINC000066433894 215041223 /nfs/dbraw/zinc/04/12/23/215041223.db2.gz TZAUSDSMTIWKSH-UHFFFAOYSA-N 0 0 332.331 4.082 50 5 EIBARN CSc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000003553870 210053937 /nfs/dbraw/zinc/05/39/37/210053937.db2.gz JYKYCNSPSVXLGX-UHFFFAOYSA-N 0 0 328.393 4.058 50 5 EIBARN C/C=C/c1ccc(OCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000002985453 209950863 /nfs/dbraw/zinc/95/08/63/209950863.db2.gz YAZJNEQZUNIJEY-SNAWJCMRSA-N 0 0 343.379 4.403 50 5 EIBARN COP(=O)(OC)[C@@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001816292 209796866 /nfs/dbraw/zinc/79/68/66/209796866.db2.gz LOASWEXTTFLOCR-OAHLLOKOSA-N 0 0 336.284 4.191 50 5 EIBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 ZINC000040153749 213274912 /nfs/dbraw/zinc/27/49/12/213274912.db2.gz KXGBAUFOFYPQHI-JTQLQIEISA-N 0 0 345.786 4.306 50 5 EIBARN CC(C)Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000040074106 213259229 /nfs/dbraw/zinc/25/92/29/213259229.db2.gz MTPFBQHKNOQDHA-UHFFFAOYSA-N 0 0 348.786 4.217 50 5 EIBARN Cc1cc(Sc2ccc([N+](=O)[O-])cn2)ccc1Br ZINC000000480509 209628505 /nfs/dbraw/zinc/62/85/05/209628505.db2.gz CXYHADUZSYMTJD-UHFFFAOYSA-N 0 0 325.187 4.212 50 5 EIBARN CN(C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000037088576 213133256 /nfs/dbraw/zinc/13/32/56/213133256.db2.gz AXBVZFPCNLJWAE-MRXNPFEDSA-N 0 0 325.368 4.136 50 5 EIBARN Cc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1[N+](=O)[O-] ZINC000036759576 213117711 /nfs/dbraw/zinc/11/77/11/213117711.db2.gz OHKBCGSLTWXWBK-UHFFFAOYSA-N 0 0 349.346 4.343 50 5 EIBARN CCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl ZINC000000450155 209608422 /nfs/dbraw/zinc/60/84/22/209608422.db2.gz ZGRJZPYQEXSALB-UHFFFAOYSA-N 0 0 338.722 4.038 50 5 EIBARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000000101871 209421050 /nfs/dbraw/zinc/42/10/50/209421050.db2.gz ROVGCZYTXUUTDR-UHFFFAOYSA-N 0 0 348.358 4.426 50 5 EIBARN Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000043039 209386585 /nfs/dbraw/zinc/38/65/85/209386585.db2.gz CNZKCAOEYCTGLC-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN COc1cc(NC(=O)c2c(C)cc(C)cc2C)c(Cl)cc1[N+](=O)[O-] ZINC000023634137 212386654 /nfs/dbraw/zinc/38/66/54/212386654.db2.gz QLJAPWNQTXPNBG-UHFFFAOYSA-N 0 0 348.786 4.434 50 5 EIBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCc2ccccc21 ZINC000023151910 212356042 /nfs/dbraw/zinc/35/60/42/212356042.db2.gz RETZYQNEGWCEFM-KRWDZBQOSA-N 0 0 344.798 4.398 50 5 EIBARN Cc1ccc(OCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000023042636 212344453 /nfs/dbraw/zinc/34/44/53/212344453.db2.gz BCNDTYJCAZTFNE-UHFFFAOYSA-N 0 0 333.294 4.227 50 5 EIBARN C[C@H](O[C@@H]1C[C@H](Cc2ccc([N+](=O)[O-])cc2)CO1)c1ccccc1 ZINC000248378430 243563070 /nfs/dbraw/zinc/56/30/70/243563070.db2.gz JMGJVBYWFITZOE-URLQWDBASA-N 0 0 327.380 4.278 50 5 EIBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(F)cc2cccnc21 ZINC000253416181 243935061 /nfs/dbraw/zinc/93/50/61/243935061.db2.gz NJFXGLCABOJCRE-UHFFFAOYSA-N 0 0 339.326 4.151 50 5 EIBARN Nc1nc2oc3ccccc3c(=O)c2cc1-c1nc2ccccc2s1 ZINC000019794163 212068493 /nfs/dbraw/zinc/06/84/93/212068493.db2.gz OFMZHZGYYUUBSQ-UHFFFAOYSA-N 0 0 345.383 4.200 50 5 EIBARN O=[N+]([O-])c1ccc(N[C@H](c2cccs2)c2ccc(F)cc2)nc1 ZINC000013016014 211514362 /nfs/dbraw/zinc/51/43/62/211514362.db2.gz PREIWUAQJDEIHA-INIZCTEOSA-N 0 0 329.356 4.392 50 5 EIBARN Cc1c(C(=O)N2CC[C@@H](C)Sc3ccccc32)cccc1[N+](=O)[O-] ZINC000012857981 211471049 /nfs/dbraw/zinc/47/10/49/211471049.db2.gz ZUTAWINGRAVZRL-GFCCVEGCSA-N 0 0 342.420 4.434 50 5 EIBARN O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccc2Br)o1 ZINC000012137789 211301535 /nfs/dbraw/zinc/30/15/35/211301535.db2.gz XCQYZERZUSIQSK-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN Cc1cc(-c2ccc([N+](=O)[O-])cc2)oc1C(=O)NC1CCCCC1 ZINC000011690004 211233143 /nfs/dbraw/zinc/23/31/43/211233143.db2.gz UCRVILPZMJLJFP-UHFFFAOYSA-N 0 0 328.368 4.226 50 5 EIBARN COc1ccc(SCCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000010218019 211155128 /nfs/dbraw/zinc/15/51/28/211155128.db2.gz SKDRBPWGCMFOOD-UHFFFAOYSA-N 0 0 346.408 4.114 50 5 EIBARN O=[N+]([O-])c1cc(F)cc(Br)c1OCc1ccccc1 ZINC000095494774 218412432 /nfs/dbraw/zinc/41/24/32/218412432.db2.gz ZNYZLFQUEBXUOR-UHFFFAOYSA-N 0 0 326.121 4.075 50 5 EIBARN COc1ccc(NC(=O)c2cccc3nc4ccccc4nc32)cc1 ZINC000005024854 210365236 /nfs/dbraw/zinc/36/52/36/210365236.db2.gz GBSJVYULTMGCJP-UHFFFAOYSA-N 0 0 329.359 4.044 50 5 EIBARN CN(C)c1ccc(-c2oc3c4ccccc4ccc3c(=O)c2O)cc1 ZINC000004853121 210300938 /nfs/dbraw/zinc/30/09/38/210300938.db2.gz HWVAZQRHGBRTDU-UHFFFAOYSA-N 0 0 331.371 4.385 50 5 EIBARN CN(C)c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004868006 210308260 /nfs/dbraw/zinc/30/82/60/210308260.db2.gz XTVBYUNYHFTIST-UHFFFAOYSA-N 0 0 325.290 4.423 50 5 EIBARN C[C@@H]1C[C@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000004833891 210291983 /nfs/dbraw/zinc/29/19/83/210291983.db2.gz XXFBVGMMIROTHC-NEPJUHHUSA-N 0 0 330.384 4.328 50 5 EIBARN COc1ccccc1NC(=O)c1cccc2nc3ccccc3nc21 ZINC000004814854 210285023 /nfs/dbraw/zinc/28/50/23/210285023.db2.gz OIFHMJBKQGCLSA-UHFFFAOYSA-N 0 0 329.359 4.044 50 5 EIBARN Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000000458169 563999797 /nfs/dbraw/zinc/99/97/97/563999797.db2.gz UZNNGRTXJDILCI-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=[N+]([O-])/C=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000000475720 563334180 /nfs/dbraw/zinc/33/41/80/563334180.db2.gz XLGVDYRZFAFUJW-MDZDMXLPSA-N 0 0 334.169 4.276 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 ZINC000008146709 563622427 /nfs/dbraw/zinc/62/24/27/563622427.db2.gz LDRHKTKPWZVQSV-UHFFFAOYSA-N 0 0 327.214 4.135 50 5 EIBARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032895669 563781098 /nfs/dbraw/zinc/78/10/98/563781098.db2.gz STBGUZLUURNNMY-JTQLQIEISA-N 0 0 335.310 4.098 50 5 EIBARN O=[N+]([O-])c1ccc(OCCCCOc2cccc3cccnc32)cc1 ZINC000002985547 563918848 /nfs/dbraw/zinc/91/88/48/563918848.db2.gz QPHAPEJOLGQGDB-UHFFFAOYSA-N 0 0 338.363 4.381 50 5 EIBARN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000000038576 563967507 /nfs/dbraw/zinc/96/75/07/563967507.db2.gz ZROITSYPMMXTMA-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000033316368 563973634 /nfs/dbraw/zinc/97/36/34/563973634.db2.gz RTSZKZKQXZJSGX-HJWRWDBZSA-N 0 0 336.269 4.266 50 5 EIBARN CC(C)c1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000070628 563973717 /nfs/dbraw/zinc/97/37/17/563973717.db2.gz DHPVSMDXZJHILI-GZTJUZNOSA-N 0 0 336.347 4.063 50 5 EIBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc2ccccc12 ZINC000000070863 563973746 /nfs/dbraw/zinc/97/37/46/563973746.db2.gz AYCUKPGGQFHGHR-LDADJPATSA-N 0 0 344.326 4.093 50 5 EIBARN Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000000102158 563982206 /nfs/dbraw/zinc/98/22/06/563982206.db2.gz VDHSMROMQLXFNC-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000000144590 563987086 /nfs/dbraw/zinc/98/70/86/563987086.db2.gz OZBMNDHZVWQOTF-UHFFFAOYSA-N 0 0 348.786 4.191 50 5 EIBARN Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000000175492 563987537 /nfs/dbraw/zinc/98/75/37/563987537.db2.gz VFSSAMPVRZRYOL-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000180224 563987799 /nfs/dbraw/zinc/98/77/99/563987799.db2.gz NMBUCJVYEDLZAM-MRXNPFEDSA-N 0 0 348.811 4.335 50 5 EIBARN Cc1c(Cl)cccc1N1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000180788 563987865 /nfs/dbraw/zinc/98/78/65/563987865.db2.gz LXORDLJYNNLTDD-INIZCTEOSA-N 0 0 348.811 4.335 50 5 EIBARN Cc1cc2c(cc1C)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)N2 ZINC000000221458 563988801 /nfs/dbraw/zinc/98/88/01/563988801.db2.gz WELUPBPULQNNNE-LBPRGKRZSA-N 0 0 330.771 4.339 50 5 EIBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(Cl)c1 ZINC000000240196 563989142 /nfs/dbraw/zinc/98/91/42/563989142.db2.gz PVWDAGSOHPSVGQ-HNNXBMFYSA-N 0 0 334.784 4.027 50 5 EIBARN Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000000259084 563989492 /nfs/dbraw/zinc/98/94/92/563989492.db2.gz GDGXMIGYCJREDW-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(F)c([N+](=O)[O-])c1 ZINC000000258368 563989578 /nfs/dbraw/zinc/98/95/78/563989578.db2.gz GJFKZQUUKDJKKO-UHFFFAOYSA-N 0 0 329.114 4.293 50 5 EIBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000000260850 563989915 /nfs/dbraw/zinc/98/99/15/563989915.db2.gz RTTBNJYNMWZIAW-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN C[C@H](CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 ZINC000000303078 563990823 /nfs/dbraw/zinc/99/08/23/563990823.db2.gz XCJRXPUYESSRBG-LLVKDONJSA-N 0 0 341.392 4.337 50 5 EIBARN O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000000316829 563990951 /nfs/dbraw/zinc/99/09/51/563990951.db2.gz WWKSDDKONZLYSO-UHFFFAOYSA-N 0 0 335.319 4.034 50 5 EIBARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000441215 563999577 /nfs/dbraw/zinc/99/95/77/563999577.db2.gz KFTSNVRUGSTPOU-UHFFFAOYSA-N 0 0 346.342 4.078 50 5 EIBARN Cc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000000460420 564000774 /nfs/dbraw/zinc/00/07/74/564000774.db2.gz QVCRIJUEKYLNNQ-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN O=C(OCC(F)(F)F)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000461465 564000794 /nfs/dbraw/zinc/00/07/94/564000794.db2.gz KUSIQJHBQZUEAN-UHFFFAOYSA-N 0 0 339.678 4.182 50 5 EIBARN Cc1ccc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2n1 ZINC000005218549 564001158 /nfs/dbraw/zinc/00/11/58/564001158.db2.gz JIDSINRKRCZKNU-UHFFFAOYSA-N 0 0 325.280 4.152 50 5 EIBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005510263 564004850 /nfs/dbraw/zinc/00/48/50/564004850.db2.gz JOHGMLSXWNTMFY-UHFFFAOYSA-N 0 0 339.178 4.174 50 5 EIBARN CC[C@H](Oc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000471670 564006212 /nfs/dbraw/zinc/00/62/12/564006212.db2.gz SRJRCYGIBFGBIM-HNNXBMFYSA-N 0 0 325.324 4.175 50 5 EIBARN CSc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000018213403 564018851 /nfs/dbraw/zinc/01/88/51/564018851.db2.gz BGHXZNWOFUIPIH-UHFFFAOYSA-N 0 0 344.436 4.206 50 5 EIBARN Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000000587191 564024574 /nfs/dbraw/zinc/02/45/74/564024574.db2.gz CCHUIMQKOGPTBA-UHFFFAOYSA-N 0 0 328.368 4.044 50 5 EIBARN Cc1ccc2[nH]c(Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 ZINC000001016251 564054069 /nfs/dbraw/zinc/05/40/69/564054069.db2.gz CUAJEILYTHPOKC-UHFFFAOYSA-N 0 0 325.353 4.133 50 5 EIBARN CCCOc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000005852420 564056660 /nfs/dbraw/zinc/05/66/60/564056660.db2.gz MMSDVUXVKUXAAE-XFFZJAGNSA-N 0 0 340.379 4.344 50 5 EIBARN O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)cc2)c2ccncc21 ZINC000012557628 564059348 /nfs/dbraw/zinc/05/93/48/564059348.db2.gz CFGIJXWBUAGMFO-UHFFFAOYSA-N 0 0 334.379 4.487 50 5 EIBARN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1c(F)cccc1Cl ZINC000084339020 564067854 /nfs/dbraw/zinc/06/78/54/564067854.db2.gz IFUGRQFNRUGCRM-UHFFFAOYSA-N 0 0 345.717 4.188 50 5 EIBARN Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2n1 ZINC000016348874 564082235 /nfs/dbraw/zinc/08/22/35/564082235.db2.gz CDVNNBNEFNROEG-UHFFFAOYSA-N 0 0 341.754 4.357 50 5 EIBARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000013006701 564086423 /nfs/dbraw/zinc/08/64/23/564086423.db2.gz PLTFWHGUOOWVMZ-UHFFFAOYSA-N 0 0 340.423 4.090 50 5 EIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)Nc1ccccc1C(F)(F)F ZINC000001753520 564087231 /nfs/dbraw/zinc/08/72/31/564087231.db2.gz LBOWFKFZUOSSOR-UHFFFAOYSA-N 0 0 343.236 4.397 50 5 EIBARN CNc1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000526059851 564108713 /nfs/dbraw/zinc/10/87/13/564108713.db2.gz XRSABRSWIODDCS-UHFFFAOYSA-N 0 0 348.406 4.238 50 5 EIBARN O=[N+]([O-])c1ccc(NCC2(O)CCCCCC2)c(C(F)(F)F)c1 ZINC000170630520 564110591 /nfs/dbraw/zinc/11/05/91/564110591.db2.gz GRFXDGISWRGTLV-UHFFFAOYSA-N 0 0 332.322 4.111 50 5 EIBARN S=c1[nH]c2ccc(Br)cc2c2nc3ccccc3n21 ZINC000006896859 564133748 /nfs/dbraw/zinc/13/37/48/564133748.db2.gz NFFZACIULUFTOF-UHFFFAOYSA-N 0 0 330.210 4.087 50 5 EIBARN CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000013140838 564136091 /nfs/dbraw/zinc/13/60/91/564136091.db2.gz ZORPXLQQCUWITG-UHFFFAOYSA-N 0 0 330.409 4.194 50 5 EIBARN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000013327887 564136208 /nfs/dbraw/zinc/13/62/08/564136208.db2.gz FIMYGJGPDFFBSA-LBPRGKRZSA-N 0 0 332.787 4.356 50 5 EIBARN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nccs2)cc1Cl ZINC000095940908 564142030 /nfs/dbraw/zinc/14/20/30/564142030.db2.gz AGJDMHDNHZFYNQ-AWEZNQCLSA-N 0 0 337.832 4.432 50 5 EIBARN Cc1cc(=O)oc2cc(Oc3ccc(Cl)cc3[N+](=O)[O-])ccc12 ZINC000002625437 564151335 /nfs/dbraw/zinc/15/13/35/564151335.db2.gz BMLOIWFXXNOHDI-UHFFFAOYSA-N 0 0 331.711 4.455 50 5 EIBARN Cc1ccc(C(C)C)c(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000002742661 564152365 /nfs/dbraw/zinc/15/23/65/564152365.db2.gz BDIBREWXUIABSR-UHFFFAOYSA-N 0 0 344.323 4.154 50 5 EIBARN CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000002881597 564152926 /nfs/dbraw/zinc/15/29/26/564152926.db2.gz DOSYRDPETZZMJX-UHFFFAOYSA-N 0 0 344.367 4.035 50 5 EIBARN O=C(Cc1c(Cl)cccc1Cl)OCc1cccc([N+](=O)[O-])c1 ZINC000003288926 564157024 /nfs/dbraw/zinc/15/70/24/564157024.db2.gz UEDXZRBAQDQWJV-UHFFFAOYSA-N 0 0 340.162 4.188 50 5 EIBARN O=C(N[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000003351889 564157622 /nfs/dbraw/zinc/15/76/22/564157622.db2.gz FWXOCRFTQDNULA-INIZCTEOSA-N 0 0 330.771 4.056 50 5 EIBARN Cc1ccc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000003499335 564158525 /nfs/dbraw/zinc/15/85/25/564158525.db2.gz XTLDLMYILZAZOP-CYBMUJFWSA-N 0 0 330.409 4.331 50 5 EIBARN Cc1nc(NC(=O)c2ccccc2[N+](=O)[O-])sc1-c1ccccc1 ZINC000031968413 564160296 /nfs/dbraw/zinc/16/02/96/564160296.db2.gz HXTPGDNYZZFJMM-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN CC(C)c1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000008586930 564165885 /nfs/dbraw/zinc/16/58/85/564165885.db2.gz CKLMRWWGKZCVTO-UHFFFAOYSA-N 0 0 330.388 4.005 50 5 aggregator EIBARN C[C@H]1CCC[C@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1C=O ZINC000013574211 568421578 /nfs/dbraw/zinc/42/15/78/568421578.db2.gz PWIVUGKKWARPHR-QWRGUYRKSA-N 0 0 338.454 4.047 50 5 EIBARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000052567526 1034555871 /nfs/dbraw/zinc/55/58/71/1034555871.db2.gz LGBOCJYLZRSJJM-SBSDFTTDSA-N 0 0 342.420 4.206 50 5 EIBARN O=[N+]([O-])c1ccc(/C=C/Sc2ncnc3sc4c(c32)CCC4)o1 ZINC000084436714 1041174248 /nfs/dbraw/zinc/17/42/48/1041174248.db2.gz DNAXKMKIYRYGAD-VOTSOKGWSA-N 0 0 345.405 4.444 50 5 EIBARN COc1ccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)cc1OC ZINC000033472302 1047321439 /nfs/dbraw/zinc/32/14/39/1047321439.db2.gz WPYRPHMPSCCDCR-TWGQIWQCSA-N 0 0 336.347 4.331 50 5 EIBARN Cc1cc2nc(N[C@H](C)c3cccc([N+](=O)[O-])c3)c3ccccc3n2n1 ZINC000052452279 214129910 /nfs/dbraw/zinc/12/99/10/214129910.db2.gz OSIYNJKFCUOVRE-CYBMUJFWSA-N 0 0 347.378 4.272 50 5 EIBARN C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cc2ccccc2o1 ZINC000052610253 214136580 /nfs/dbraw/zinc/13/65/80/214136580.db2.gz DJOSYVFUKIELDY-LLVKDONJSA-N 0 0 349.346 4.313 50 5 EIBARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004691541 210249583 /nfs/dbraw/zinc/24/95/83/210249583.db2.gz DHAHWUSXDWQPMG-CYBMUJFWSA-N 0 0 328.368 4.126 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1NC1C2CC3CC(C2)CC1C3 ZINC000004687597 210247179 /nfs/dbraw/zinc/24/71/79/210247179.db2.gz XTDGLQMZUFEUNH-UHFFFAOYSA-N 0 0 341.455 4.432 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1c2ccccc2-c2ccccc21 ZINC000004503067 210206256 /nfs/dbraw/zinc/20/62/56/210206256.db2.gz CIYNRFFPCGAKLI-UHFFFAOYSA-N 0 0 330.343 4.346 50 5 EIBARN Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)c1 ZINC000004420693 210190591 /nfs/dbraw/zinc/19/05/91/210190591.db2.gz MNSBAZGZAQQYPL-UHFFFAOYSA-N 0 0 338.323 4.412 50 5 aggregator EIBARN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)Cc2cccc3ccccc32)n1 ZINC000004350581 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Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2c1CC(C)(C)O2 ZINC000004054396 210108459 /nfs/dbraw/zinc/10/84/59/210108459.db2.gz AEEKMLLCHFVOLI-UHFFFAOYSA-N 0 0 343.339 4.269 50 5 EIBARN CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004043979 210108001 /nfs/dbraw/zinc/10/80/01/210108001.db2.gz BZDDXTOKGQGPSH-LFYBBSHMSA-N 0 0 326.352 4.036 50 5 EIBARN Cc1ccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004041794 210106577 /nfs/dbraw/zinc/10/65/77/210106577.db2.gz YUAAYEGQOYENCQ-UHFFFAOYSA-N 0 0 328.368 4.009 50 5 EIBARN Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000003957270 210096361 /nfs/dbraw/zinc/09/63/61/210096361.db2.gz KTKVEEONWZLYAB-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN CCOc1ccc(NC(=O)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000003900184 210088159 /nfs/dbraw/zinc/08/81/59/210088159.db2.gz CRPIOGLSKNRHEM-UHFFFAOYSA-N 0 0 336.347 4.399 50 5 EIBARN O=c1oc2ccccc2c(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000102446610 219203855 /nfs/dbraw/zinc/20/38/55/219203855.db2.gz 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ZINC000040135175 213271186 /nfs/dbraw/zinc/27/11/86/213271186.db2.gz CCEIIVDZCWILJK-UHFFFAOYSA-N 0 0 344.367 4.187 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000536422 209654498 /nfs/dbraw/zinc/65/44/98/209654498.db2.gz ZXDWNSKLIIJWNE-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN C[C@@H](C(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000471732 209622169 /nfs/dbraw/zinc/62/21/69/209622169.db2.gz PSIJBKMRCGEQPU-SNVBAGLBSA-N 0 0 349.184 4.100 50 5 EIBARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000036185155 213075681 /nfs/dbraw/zinc/07/56/81/213075681.db2.gz LCHQFLDEAIRJGH-UHFFFAOYSA-N 0 0 340.423 4.093 50 5 EIBARN CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000187557 209472190 /nfs/dbraw/zinc/47/21/90/209472190.db2.gz KHLACIUAQRXVJC-GOSISDBHSA-N 0 0 337.379 4.073 50 5 EIBARN Cc1sc(-c2ccco2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000022989876 212340557 /nfs/dbraw/zinc/34/05/57/212340557.db2.gz DOGOIKZSFGNXDI-UHFFFAOYSA-N 0 0 343.364 4.180 50 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/nfs/dbraw/zinc/15/41/47/211154147.db2.gz NWOHVYJXEFJSPT-UHFFFAOYSA-N 0 0 344.798 4.100 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000009112191 211040927 /nfs/dbraw/zinc/04/09/27/211040927.db2.gz ZFBHYMCDBWNGDD-UHFFFAOYSA-N 0 0 328.759 4.046 50 5 EIBARN Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC000008924670 211018706 /nfs/dbraw/zinc/01/87/06/211018706.db2.gz QXQSAGFNFAHOIQ-UHFFFAOYSA-N 0 0 340.257 4.054 50 5 EIBARN CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005125906 210394069 /nfs/dbraw/zinc/39/40/69/210394069.db2.gz UZVBMUJEPCTJHJ-YBEGLDIGSA-N 0 0 341.754 4.054 50 5 EIBARN Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005063124 210379404 /nfs/dbraw/zinc/37/94/04/210379404.db2.gz SNOHWFINLIOSJX-UHFFFAOYSA-N 0 0 337.282 4.149 50 5 EIBARN Cc1cc(C)cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)c1 ZINC000004981552 210348092 /nfs/dbraw/zinc/34/80/92/210348092.db2.gz BVYFPLSYRJWEKR-UHFFFAOYSA-N 0 0 338.323 4.412 50 5 EIBARN Cc1cc(=O)oc2c3c(Nc4cccc([N+](=O)[O-])c4)coc3ccc12 ZINC000000032623 208552410 /nfs/dbraw/zinc/55/24/10/208552410.db2.gz GPZZFJZKVHFXBO-UHFFFAOYSA-N 0 0 336.303 4.499 50 5 biogenic,in-vitro EIBARN O=C(Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000004926571 210325233 /nfs/dbraw/zinc/32/52/33/210325233.db2.gz HZEDCXHUTRLSPV-UHFFFAOYSA-N 0 0 343.236 4.397 50 5 EIBARN O=C(/C=C/c1ccccc1)Nc1cccc2nc3ccccc3nc21 ZINC000004815173 210285255 /nfs/dbraw/zinc/28/52/55/210285255.db2.gz XNRMKWKKQJYTKC-BUHFOSPRSA-N 0 0 325.371 4.435 50 5 EIBARN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000328589570 258045001 /nfs/dbraw/zinc/04/50/01/258045001.db2.gz QOTPSQKMRHJSNQ-JTQLQIEISA-N 0 0 337.420 4.339 50 5 EIBARN Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccc(Cl)c(Cl)c1 ZINC000334160568 258016665 /nfs/dbraw/zinc/01/66/65/258016665.db2.gz HSAXGHWAQWJICR-UHFFFAOYSA-N 0 0 327.167 4.371 50 5 EIBARN Cc1c(C)c(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000000465783 258048578 /nfs/dbraw/zinc/04/85/78/258048578.db2.gz JAUUBHGQJHKAMG-UHFFFAOYSA-N 0 0 349.184 4.226 50 5 EIBARN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000012555004 258055000 /nfs/dbraw/zinc/05/50/00/258055000.db2.gz COYUEDKOGGANMK-UHFFFAOYSA-N 0 0 347.802 4.387 50 5 EIBARN CC1CCN(c2cc(N3CCCCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004137908 135662553 /nfs/dbraw/zinc/66/25/53/135662553.db2.gz YDIVTDPLSZREKG-UHFFFAOYSA-N 0 0 335.423 4.351 50 5 EIBARN CC(C)c1noc(-c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000015833929 135708705 /nfs/dbraw/zinc/70/87/05/135708705.db2.gz CNBCBOXFRPXSRF-LBPRGKRZSA-N 0 0 330.388 4.005 50 5 EIBARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006550492 518199434 /nfs/dbraw/zinc/19/94/34/518199434.db2.gz WCRHFLBFEYPBIP-UHFFFAOYSA-N 0 0 348.830 4.194 50 5 EIBARN Cc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000002173643 564120603 /nfs/dbraw/zinc/12/06/03/564120603.db2.gz FSAJBEGQVYZRMP-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1nn(CC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000004548860 563764528 /nfs/dbraw/zinc/76/45/28/563764528.db2.gz TWJXZFRZSFWNOY-UHFFFAOYSA-N 0 0 341.411 4.339 50 5 EIBARN O=c1cc(CSc2nncn2C2CC2)c2c(ccc3ccccc32)o1 ZINC000026156095 563890238 /nfs/dbraw/zinc/89/02/38/563890238.db2.gz SLEFFZLJPAROEO-UHFFFAOYSA-N 0 0 349.415 4.165 50 5 EIBARN COC(=O)c1c(C)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000000096568 563977871 /nfs/dbraw/zinc/97/78/71/563977871.db2.gz FAZYZBVERKPWEE-UHFFFAOYSA-N 0 0 341.319 4.015 50 5 EIBARN Cc1cc2c(cc1C)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 ZINC000000108776 563982196 /nfs/dbraw/zinc/98/21/96/563982196.db2.gz NKUNMUZCIFMFRU-GFCCVEGCSA-N 0 0 330.771 4.339 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2cccc3ccccc32)nc1 ZINC000060863914 563983340 /nfs/dbraw/zinc/98/33/40/563983340.db2.gz XENXTWMERPFJNU-KRWDZBQOSA-N 0 0 333.391 4.355 50 5 EIBARN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)F)n3nc(C4CC4)cc3n2)c1 ZINC000000171357 563987563 /nfs/dbraw/zinc/98/75/63/563987563.db2.gz UAQJMSYERNAIAY-UHFFFAOYSA-N 0 0 348.284 4.201 50 5 EIBARN O=[N+]([O-])c1cccc(-c2nc([C@@H]3COc4ccccc4O3)cs2)c1 ZINC000000206931 563988553 /nfs/dbraw/zinc/98/85/53/563988553.db2.gz DMWYBZRZWNQZDP-INIZCTEOSA-N 0 0 340.360 4.231 50 5 EIBARN Cc1ccc(C)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 ZINC000000211417 563988626 /nfs/dbraw/zinc/98/86/26/563988626.db2.gz QZYHDXOMZVHAGE-UHFFFAOYSA-N 0 0 327.383 4.121 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NCc1ccc(C(F)(F)F)cc1 ZINC000000293203 563990233 /nfs/dbraw/zinc/99/02/33/563990233.db2.gz URZQPWIZGUWQFA-UHFFFAOYSA-N 0 0 326.274 4.234 50 5 EIBARN Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000328817 563991071 /nfs/dbraw/zinc/99/10/71/563991071.db2.gz BBERTFQTHCFYRW-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1cc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2cc1C ZINC000005152370 563994740 /nfs/dbraw/zinc/99/47/40/563994740.db2.gz DPSATIBGXURQIM-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN Cn1c2ccccc2nc1-c1cc2c(ccc3ccccc32)oc1=O ZINC000003114545 563996262 /nfs/dbraw/zinc/99/62/62/563996262.db2.gz AGOORGXUONZKMR-UHFFFAOYSA-N 0 0 326.355 4.500 50 5 EIBARN CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000000444394 563999576 /nfs/dbraw/zinc/99/95/76/563999576.db2.gz FHGXOKJLJDPAFH-UHFFFAOYSA-N 0 0 336.347 4.399 50 5 EIBARN Cc1cccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c1C ZINC000000465018 564000812 /nfs/dbraw/zinc/00/08/12/564000812.db2.gz HUSGNSWNCXYVND-UHFFFAOYSA-N 0 0 346.342 4.165 50 5 EIBARN CCCCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000005421549 564003748 /nfs/dbraw/zinc/00/37/48/564003748.db2.gz AMVRKQVCCKISGO-UHFFFAOYSA-N 0 0 343.339 4.098 50 5 EIBARN Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000000471892 564006204 /nfs/dbraw/zinc/00/62/04/564006204.db2.gz JJHHWUDMFJNRIE-UHFFFAOYSA-N 0 0 348.786 4.191 50 5 EIBARN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000017369105 564011767 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Cc1c(=O)c2cc(F)ccc2oc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003294539 564157117 /nfs/dbraw/zinc/15/71/17/564157117.db2.gz YVXARRYABCVRNS-UHFFFAOYSA-N 0 0 333.702 4.469 50 5 EIBARN O=C(NCCSC1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000058434761 564159090 /nfs/dbraw/zinc/15/90/90/564159090.db2.gz NWUCEHHFPVKVBS-UHFFFAOYSA-N 0 0 343.836 4.046 50 5 EIBARN O=C1O[C@](Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc21 ZINC000059505251 564161478 /nfs/dbraw/zinc/16/14/78/564161478.db2.gz CXBQOOJZQIHFDO-HXUWFJFHSA-N 0 0 346.342 4.078 50 5 EIBARN O=[N+]([O-])c1ccc(F)cc1OCc1nc(-c2ccccc2Cl)no1 ZINC000008221194 564163610 /nfs/dbraw/zinc/16/36/10/564163610.db2.gz JTPCNDBWTMOIHI-UHFFFAOYSA-N 0 0 349.705 4.016 50 5 EIBARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000008257621 564163816 /nfs/dbraw/zinc/16/38/16/564163816.db2.gz PJOAKDQWDXMNNN-JTQLQIEISA-N 0 0 330.413 4.252 50 5 EIBARN Cc1nn(C)c(NCc2cccc(Oc3ccccc3)c2)c1[N+](=O)[O-] ZINC000071811013 564175607 /nfs/dbraw/zinc/17/56/07/564175607.db2.gz 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Cc1cccc(C(=O)Nc2ncc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC000048344740 213925923 /nfs/dbraw/zinc/92/59/23/213925923.db2.gz JMGBOZCOADQJLH-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN COc1ccc(F)cc1[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000048310951 213917547 /nfs/dbraw/zinc/91/75/47/213917547.db2.gz CWOJNOPQKPSHNI-NSHDSACASA-N 0 0 341.342 4.464 50 5 EIBARN CCSc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000004114604 210123758 /nfs/dbraw/zinc/12/37/58/210123758.db2.gz XFLQCIJRZQTZMF-UHFFFAOYSA-N 0 0 326.377 4.011 50 5 EIBARN O=[N+]([O-])c1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000004054378 210108694 /nfs/dbraw/zinc/10/86/94/210108694.db2.gz FKOOZPWZRRDRTK-UHFFFAOYSA-N 0 0 334.257 4.300 50 5 EIBARN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 ZINC000003330698 210009640 /nfs/dbraw/zinc/00/96/40/210009640.db2.gz ZZYCPGBATIITLA-UHFFFAOYSA-N 0 0 346.437 4.227 50 5 EIBARN Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000003206090 209977502 /nfs/dbraw/zinc/97/75/02/209977502.db2.gz 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ZINC000072066290 216001435 /nfs/dbraw/zinc/00/14/35/216001435.db2.gz KDPDHNHBJSQFKO-UHFFFAOYSA-N 0 0 349.177 4.208 50 5 EIBARN CCSc1nnc2nc3c4ccccc4c4ccccc4c3nn21 ZINC000000174104 209462694 /nfs/dbraw/zinc/46/26/94/209462694.db2.gz IYAVEJXCRRDLNB-UHFFFAOYSA-N 0 0 331.404 4.091 50 5 EIBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1 ZINC000000080652 209406878 /nfs/dbraw/zinc/40/68/78/209406878.db2.gz DBJSUPPXHAHSSP-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN O=[N+]([O-])c1ccc2sc(SCc3cn4ccccc4n3)nc2c1 ZINC000000067813 209398753 /nfs/dbraw/zinc/39/87/53/209398753.db2.gz OZBFPWQIRMEPQL-UHFFFAOYSA-N 0 0 342.405 4.145 50 5 EIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc2ccccc2c1 ZINC000000058896 209394610 /nfs/dbraw/zinc/39/46/10/209394610.db2.gz DTSIITCTHMWXEC-LDADJPATSA-N 0 0 344.326 4.093 50 5 EIBARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025106171 212459979 /nfs/dbraw/zinc/45/99/79/212459979.db2.gz ZBBVVZLLFICOFI-LLVKDONJSA-N 0 0 348.786 4.090 50 5 EIBARN O=C(Nc1ccc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])cc1 ZINC000025057292 212457078 /nfs/dbraw/zinc/45/70/78/212457078.db2.gz FXHODNAQORRKTG-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN Cc1c2oc3c(nc4n[nH]cc4c3-c3ccc(O)cc3)c2ccc1O ZINC000218240996 241307358 /nfs/dbraw/zinc/30/73/58/241307358.db2.gz UUBDXHOMOWSZGJ-UHFFFAOYSA-N 0 0 331.331 4.244 50 5 EIBARN O=C(c1cc(C2CC2)no1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000242389685 243021617 /nfs/dbraw/zinc/02/16/17/243021617.db2.gz ZZOMLGGNYDCCHP-UHFFFAOYSA-N 0 0 341.367 4.050 50 5 EIBARN Cc1nc2sc3c(c2c(NCc2ccc([N+](=O)[O-])cc2)n1)CCC3 ZINC000084271743 217591726 /nfs/dbraw/zinc/59/17/26/217591726.db2.gz HDOSIDUCTUAXRA-UHFFFAOYSA-N 0 0 340.408 4.009 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000012938525 211489624 /nfs/dbraw/zinc/48/96/24/211489624.db2.gz BLCARXDXTHFTPB-UHFFFAOYSA-N 0 0 345.405 4.341 50 5 EIBARN CC(=O)c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000012516965 211396448 /nfs/dbraw/zinc/39/64/48/211396448.db2.gz VCGLYYJADSNVAE-NEPJUHHUSA-N 0 0 330.306 4.330 50 5 EIBARN O=[N+]([O-])c1cc(Cl)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 ZINC000012396602 211367926 /nfs/dbraw/zinc/36/79/26/211367926.db2.gz NIDPRNABZPSYMW-UHFFFAOYSA-N 0 0 345.708 4.332 50 5 EIBARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000011201332 211207366 /nfs/dbraw/zinc/20/73/66/211207366.db2.gz LEXTZQUYPJMPFI-MRXNPFEDSA-N 0 0 330.771 4.129 50 5 EIBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccs1 ZINC000010446486 211173279 /nfs/dbraw/zinc/17/32/79/211173279.db2.gz SOBDQKQDXBDPCW-UHFFFAOYSA-N 0 0 342.376 4.092 50 5 EIBARN CC(C)c1ccc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc1[N+](=O)[O-] ZINC000093902822 218256674 /nfs/dbraw/zinc/25/66/74/218256674.db2.gz MVEMRXFRJWAXJU-FNORWQNLSA-N 0 0 349.394 4.079 50 5 EIBARN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000009086569 211038711 /nfs/dbraw/zinc/03/87/11/211038711.db2.gz YMYXDRNPVPUGBR-UHFFFAOYSA-N 0 0 328.221 4.005 50 5 EIBARN COc1ccc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])C(C)C)cc1 ZINC000008338286 210939659 /nfs/dbraw/zinc/93/96/59/210939659.db2.gz XUQXAIJWTILWQK-CYBMUJFWSA-N 0 0 346.412 4.122 50 5 EIBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007780058 210845438 /nfs/dbraw/zinc/84/54/38/210845438.db2.gz RZBBUSQWDLUUHI-QGZVFWFLSA-N 0 0 340.379 4.098 50 5 EIBARN CC(=O)Oc1cc(/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000005077904 210385427 /nfs/dbraw/zinc/38/54/27/210385427.db2.gz NDAVHMRNYFFTSU-ZHACJKMWSA-N 0 0 334.331 4.239 50 5 EIBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000005062314 210379545 /nfs/dbraw/zinc/37/95/45/210379545.db2.gz TWCREZDEMLCRHM-UHFFFAOYSA-N 0 0 349.749 4.214 50 5 EIBARN CCN(CC)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000004983542 210347747 /nfs/dbraw/zinc/34/77/47/210347747.db2.gz SRZMKEBKYBCEEI-UHFFFAOYSA-N 0 0 347.802 4.347 50 5 EIBARN CCCCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000004919223 210323836 /nfs/dbraw/zinc/32/38/36/210323836.db2.gz XUOKYLWOQFHSCQ-UHFFFAOYSA-N 0 0 347.418 4.471 50 5 EIBARN CCCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000004919211 210323536 /nfs/dbraw/zinc/32/35/36/210323536.db2.gz SMQMIJFORQHTSM-UHFFFAOYSA-N 0 0 333.391 4.081 50 5 EIBARN O=[N+]([O-])c1cccc(CSc2nnc3sc4ccccc4n23)c1 ZINC000003495724 208559426 /nfs/dbraw/zinc/55/94/26/208559426.db2.gz WCWIZGBUYRRUQQ-UHFFFAOYSA-N 0 0 342.405 4.145 50 5 EIBARN O=c1c(Cl)c2oc3cc([N+](=O)[O-])ccc3nc-2c2ccccc12 ZINC000004844207 210297784 /nfs/dbraw/zinc/29/77/84/210297784.db2.gz ORQQSXRWRGYETD-UHFFFAOYSA-N 0 0 326.695 4.008 50 5 EIBARN COP(=O)(OC)[C@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000004815430 210285251 /nfs/dbraw/zinc/28/52/51/210285251.db2.gz KFXMMQFQOKTJHD-HNNXBMFYSA-N 0 0 336.284 4.191 50 5 EIBARN C[C@@H]1C[C@@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000004833893 210292486 /nfs/dbraw/zinc/29/24/86/210292486.db2.gz XXFBVGMMIROTHC-VXGBXAGGSA-N 0 0 330.384 4.328 50 5 EIBARN Cc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3C)nc21 ZINC000004814272 210284654 /nfs/dbraw/zinc/28/46/54/210284654.db2.gz AKVHCOCFQQVZFS-UHFFFAOYSA-N 0 0 327.365 4.074 50 5 EIBARN CCc1sc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1C ZINC000009365654 523064798 /nfs/dbraw/zinc/06/47/98/523064798.db2.gz LCRPKMDVNSAOGG-UHFFFAOYSA-N 0 0 345.380 4.156 50 5 EIBARN c1nc2ncnc(NCc3cccc4ccc5ccccc5c43)c2[nH]1 ZINC000000385655 563302526 /nfs/dbraw/zinc/30/25/26/563302526.db2.gz HDFPKCIYBCSDFF-UHFFFAOYSA-N 0 0 325.375 4.271 50 5 EIBARN c1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 ZINC000000551821 563344829 /nfs/dbraw/zinc/34/48/29/563344829.db2.gz YLBBADJPXQKLPU-UHFFFAOYSA-N 0 0 343.415 4.043 50 5 EIBARN CC[C@H](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000032714767 563696660 /nfs/dbraw/zinc/69/66/60/563696660.db2.gz UJLCRPPJEKUJDI-UGSOOPFHSA-N 0 0 342.395 4.372 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000101089 563982145 /nfs/dbraw/zinc/98/21/45/563982145.db2.gz JSWCSPNNZOQHNN-UHFFFAOYSA-N 0 0 342.395 4.218 50 5 EIBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000000148700 563987062 /nfs/dbraw/zinc/98/70/62/563987062.db2.gz YHUJAFJQFUXJET-UHFFFAOYSA-N 0 0 336.800 4.120 50 5 EIBARN O=C(OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000166752 563987459 /nfs/dbraw/zinc/98/74/59/563987459.db2.gz VABCBHGJNCSEJC-UHFFFAOYSA-N 0 0 326.135 4.259 50 5 EIBARN Cc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc21 ZINC000000175583 563987569 /nfs/dbraw/zinc/98/75/69/563987569.db2.gz DGAJSMGNFFYPRQ-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN Cc1c(Cl)cccc1N1C(=S)N=NC1c1cccc([N+](=O)[O-])c1 ZINC000000221610 563988818 /nfs/dbraw/zinc/98/88/18/563988818.db2.gz YJHOXTNCZWMXSA-UHFFFAOYSA-N 0 0 346.799 4.093 50 5 EIBARN COc1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000272951 563990081 /nfs/dbraw/zinc/99/00/81/563990081.db2.gz HGJIUARHUZQCBI-UHFFFAOYSA-N 0 0 338.319 4.116 50 5 EIBARN Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000000291675 563990285 /nfs/dbraw/zinc/99/02/85/563990285.db2.gz UJVHUUYCRQTNNT-UHFFFAOYSA-N 0 0 332.359 4.407 50 5 aggregator EIBARN Cc1ccc2ccccc2c1/C(=C1\OC(=O)c2ccccc21)[N+](=O)[O-] ZINC000000293605 563990290 /nfs/dbraw/zinc/99/02/90/563990290.db2.gz FPUSVPXMEAAJIA-VHEBQXMUSA-N 0 0 331.327 4.421 50 5 EIBARN O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000308273 563990771 /nfs/dbraw/zinc/99/07/71/563990771.db2.gz LQYOKBJREYWXEF-UHFFFAOYSA-N 0 0 344.273 4.385 50 5 EIBARN O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1ccccc1[N+](=O)[O-] ZINC000000313986 563990909 /nfs/dbraw/zinc/99/09/09/563990909.db2.gz IRGMJHBBZKDPPM-UHFFFAOYSA-N 0 0 337.331 4.439 50 5 EIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000000463385 564000776 /nfs/dbraw/zinc/00/07/76/564000776.db2.gz XRAYXFLGWSILDR-BJMVGYQFSA-N 0 0 347.168 4.009 50 5 EIBARN O=c1c2ccccc2oc2cc(OCc3ccc(F)cc3)cc(O)c12 ZINC000005443368 564004079 /nfs/dbraw/zinc/00/40/79/564004079.db2.gz YPMRLXHCKOCVMH-UHFFFAOYSA-N 0 0 336.318 4.370 50 5 biogenic EIBARN CCn1c(C)nc([N+](=O)[O-])c1Sc1cccc(C(F)(F)F)c1 ZINC000000481361 564013833 /nfs/dbraw/zinc/01/38/33/564013833.db2.gz IVPKACNUCQZKNV-UHFFFAOYSA-N 0 0 331.319 4.290 50 5 EIBARN Cc1ccc(C)c(C2=NNC(c3ccc([N+](=O)[O-])cc3)=CS2)c1 ZINC000005681909 564018500 /nfs/dbraw/zinc/01/85/00/564018500.db2.gz JLHHYPKMVJLGNX-UHFFFAOYSA-N 0 0 325.393 4.208 50 5 EIBARN Cc1cc(C)c(OCC(=O)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000000569586 564023222 /nfs/dbraw/zinc/02/32/22/564023222.db2.gz CZJBMRMOJJCMHO-UHFFFAOYSA-N 0 0 342.395 4.353 50 5 EIBARN COc1ccccc1C(=O)c1cccc2c(=O)c3ccccc3oc12 ZINC000005721194 564024051 /nfs/dbraw/zinc/02/40/51/564024051.db2.gz BVXCRIIXVIHHMY-UHFFFAOYSA-N 0 0 330.339 4.186 50 5 EIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000024753927 564033628 /nfs/dbraw/zinc/03/36/28/564033628.db2.gz SOJIMOVHGLCUDD-UHFFFAOYSA-N 0 0 330.771 4.053 50 5 EIBARN Cc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c1C ZINC000000792754 564034347 /nfs/dbraw/zinc/03/43/47/564034347.db2.gz RDGWVQJJIGFSQI-UHFFFAOYSA-N 0 0 346.342 4.165 50 5 EIBARN C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000015143888 564054627 /nfs/dbraw/zinc/05/46/27/564054627.db2.gz BKSIVVXKUJKDGH-LLVKDONJSA-N 0 0 325.393 4.328 50 5 EIBARN O=C(N=c1[nH]c2ccc3ccccc3c2s1)c1ccc([N+](=O)[O-])cc1 ZINC000015356968 564060945 /nfs/dbraw/zinc/06/09/45/564060945.db2.gz YNOMIANUOXGMJK-UHFFFAOYSA-N 0 0 349.371 4.032 50 5 EIBARN CCc1nc([C@@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000083830255 564063533 /nfs/dbraw/zinc/06/35/33/564063533.db2.gz KJMOKJUYDGWBFX-LLVKDONJSA-N 0 0 348.428 4.113 50 5 EIBARN O=C(N[C@@H](c1cccs1)C1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000084436933 564068185 /nfs/dbraw/zinc/06/81/85/564068185.db2.gz KTVNHWMJQOBMFG-CQSZACIVSA-N 0 0 336.438 4.379 50 5 EIBARN O=c1c2c(-c3ccc(F)cc3)csc2nc2c3ccccc3cnn12 ZINC000001465323 564073240 /nfs/dbraw/zinc/07/32/40/564073240.db2.gz DSYFOVRIKSECDI-UHFFFAOYSA-N 0 0 347.374 4.264 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(-c2cccs2)n1 ZINC000012868783 564075884 /nfs/dbraw/zinc/07/58/84/564075884.db2.gz NVRJYZQPYKWMDJ-UHFFFAOYSA-N 0 0 331.378 4.032 50 5 EIBARN Cc1ccc([N+](=O)[O-])c(C2N=NC(=S)N2c2cccc(Cl)c2)c1 ZINC000015923545 564077851 /nfs/dbraw/zinc/07/78/51/564077851.db2.gz RTVVFNAMEYPZDD-UHFFFAOYSA-N 0 0 346.799 4.093 50 5 EIBARN CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000016377385 564084061 /nfs/dbraw/zinc/08/40/61/564084061.db2.gz CUVBRXRRZUWIAD-UHFFFAOYSA-N 0 0 340.408 4.262 50 5 EIBARN Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000013020748 564086891 /nfs/dbraw/zinc/08/68/91/564086891.db2.gz OGWDSDQFXYGUIA-UHFFFAOYSA-N 0 0 330.771 4.227 50 5 EIBARN C[C@H](Sc1nnc(Cc2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000007298002 564106591 /nfs/dbraw/zinc/10/65/91/564106591.db2.gz UEPBMOLRRFTEQZ-LBPRGKRZSA-N 0 0 341.392 4.422 50 5 EIBARN C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cc2ccccc2o1 ZINC000065512052 564106747 /nfs/dbraw/zinc/10/67/47/564106747.db2.gz CYZASYHQTYVRCW-NSHDSACASA-N 0 0 349.346 4.313 50 5 EIBARN CC(=O)c1c(C)cc(C)c(CSc2ncccc2[N+](=O)[O-])c1C ZINC000065693159 564109408 /nfs/dbraw/zinc/10/94/08/564109408.db2.gz QGTCPIMLQLKTLI-UHFFFAOYSA-N 0 0 330.409 4.410 50 5 EIBARN CC[C@@H](C)N(C(=S)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CC ZINC000017071137 564116301 /nfs/dbraw/zinc/11/63/01/564116301.db2.gz CEEORMKDHNWNLI-TXEJJXNPSA-N 0 0 339.461 4.199 50 5 EIBARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000027123806 564117561 /nfs/dbraw/zinc/11/75/61/564117561.db2.gz WPAXIUVOQCZSTF-UHFFFAOYSA-N 0 0 345.405 4.341 50 5 EIBARN O=C(C[C@@H](c1ccccc1)[C@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000002258879 564125366 /nfs/dbraw/zinc/12/53/66/564125366.db2.gz XNDSARCVLSJXDS-MSOLQXFVSA-N 0 0 337.375 4.321 50 5 EIBARN O=C(Nc1ccccc1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000096361331 564146932 /nfs/dbraw/zinc/14/69/32/564146932.db2.gz GVLAJTCEIPIHDM-UHFFFAOYSA-N 0 0 349.346 4.296 50 5 EIBARN O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000225533731 564149639 /nfs/dbraw/zinc/14/96/39/564149639.db2.gz ZESLDVLIOLTRNC-INIZCTEOSA-N 0 0 349.394 4.112 50 5 EIBARN O=C(NCCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002744678 564152350 /nfs/dbraw/zinc/15/23/50/564152350.db2.gz GLFDWNLQHSISMK-UHFFFAOYSA-N 0 0 332.787 4.001 50 5 EIBARN O=C(CCCOc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002992750 564154245 /nfs/dbraw/zinc/15/42/45/564154245.db2.gz JPLNWVMJPDGUBX-UHFFFAOYSA-N 0 0 334.759 4.046 50 5 EIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)s1 ZINC000003199176 564155903 /nfs/dbraw/zinc/15/59/03/564155903.db2.gz TYZSWUZLNMKCFS-UHFFFAOYSA-N 0 0 339.785 4.172 50 5 EIBARN O=[N+]([O-])c1ccc(NCc2cc3cc(F)ccc3s2)c([N+](=O)[O-])c1 ZINC000057997169 564157058 /nfs/dbraw/zinc/15/70/58/564157058.db2.gz JWQMPXJUTCFZEY-UHFFFAOYSA-N 0 0 347.327 4.469 50 5 EIBARN C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000058434694 564159142 /nfs/dbraw/zinc/15/91/42/564159142.db2.gz KZZSZTRVDIJOFA-GFCCVEGCSA-N 0 0 347.802 4.151 50 5 EIBARN CCc1noc(-c2ccc(N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000008587139 564165922 /nfs/dbraw/zinc/16/59/22/564165922.db2.gz KLWIBNXXYKBWDP-LBPRGKRZSA-N 0 0 338.367 4.380 50 5 EIBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cn1 ZINC000098055168 1023854405 /nfs/dbraw/zinc/85/44/05/1023854405.db2.gz MRMJCOBOMAQPCQ-QBFSEMIESA-N 0 0 345.358 4.309 50 5 EIBARN CCOc1cccc(OCCOc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004701999 210253119 /nfs/dbraw/zinc/25/31/19/210253119.db2.gz HHRZMLZPBVLSRO-UHFFFAOYSA-N 0 0 337.759 4.105 50 5 EIBARN Cc1ccc(N2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000004578278 210225472 /nfs/dbraw/zinc/22/54/72/210225472.db2.gz GFKCLQOSJHYJPS-XNTDXEJSSA-N 0 0 340.360 4.144 50 5 EIBARN O=[N+]([O-])c1ccc2c(c1)C1c3ccccc3C2c2ccc([N+](=O)[O-])cc21 ZINC000004530480 210214706 /nfs/dbraw/zinc/21/47/06/210214706.db2.gz QHVDBHFJKHPWSK-UHFFFAOYSA-N 0 0 344.326 4.490 50 5 EIBARN Cc1ccc(N2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000004471701 210195242 /nfs/dbraw/zinc/19/52/42/210195242.db2.gz WOAOYPDMUDROIA-XNTDXEJSSA-N 0 0 340.360 4.144 50 5 EIBARN Cc1ccc(Cl)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000004330813 210172774 /nfs/dbraw/zinc/17/27/74/210172774.db2.gz IYYYPCSSRPKDAF-UHFFFAOYSA-N 0 0 347.783 4.419 50 5 EIBARN CCOc1ccc(CN(C)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000048250828 213902400 /nfs/dbraw/zinc/90/24/00/213902400.db2.gz NGXYKOAJKWOJPY-UHFFFAOYSA-N 0 0 337.379 4.178 50 5 EIBARN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(C)(C)C)cc1 ZINC000004062652 210111842 /nfs/dbraw/zinc/11/18/42/210111842.db2.gz NDTIELZWVFOERH-UHFFFAOYSA-N 0 0 348.424 4.002 50 5 EIBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003898887 210087658 /nfs/dbraw/zinc/08/76/58/210087658.db2.gz GFMVTPLWRMCLDL-UHFFFAOYSA-N 0 0 346.386 4.437 50 5 EIBARN COC(=O)c1ccc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000003883629 210083123 /nfs/dbraw/zinc/08/31/23/210083123.db2.gz XDRXACUJLBOGLZ-UHFFFAOYSA-N 0 0 325.242 4.067 50 5 EIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1 ZINC000003566810 210057365 /nfs/dbraw/zinc/05/73/65/210057365.db2.gz LLPCXWMOWWDABH-RUDMXATFSA-N 0 0 336.269 4.266 50 5 EIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Cl ZINC000003196672 209976809 /nfs/dbraw/zinc/97/68/09/209976809.db2.gz RZPLAIUNMXJZHJ-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000003000031 209953334 /nfs/dbraw/zinc/95/33/34/209953334.db2.gz WZNKBLIOAZXXAS-UHFFFAOYSA-N 0 0 338.722 4.038 50 5 EIBARN COc1ccc([C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000042110049 213479961 /nfs/dbraw/zinc/47/99/61/213479961.db2.gz BPWORDAUAWGBIA-SFHVURJKSA-N 0 0 349.390 4.493 50 5 EIBARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002507079 209859543 /nfs/dbraw/zinc/85/95/43/209859543.db2.gz KUOZOYMTCQFJBX-UHFFFAOYSA-N 0 0 340.763 4.118 50 5 EIBARN Cc1c(CSc2nnc(NCC(C)C)s2)cccc1[N+](=O)[O-] ZINC000040127770 213269451 /nfs/dbraw/zinc/26/94/51/213269451.db2.gz BRIZJTGMYLDMKL-UHFFFAOYSA-N 0 0 338.458 4.115 50 5 EIBARN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000040117315 213268556 /nfs/dbraw/zinc/26/85/56/213268556.db2.gz OXYJVVUXKNXEPO-GOSISDBHSA-N 0 0 342.370 4.395 50 5 EIBARN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000040099038 213264728 /nfs/dbraw/zinc/26/47/28/213264728.db2.gz ZEKCMCYLSPARQQ-QMMMGPOBSA-N 0 0 325.777 4.192 50 5 EIBARN Cc1ccc(CN(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000040098669 213263628 /nfs/dbraw/zinc/26/36/28/213263628.db2.gz ILBQUXSGQQMHKL-UHFFFAOYSA-N 0 0 333.775 4.221 50 5 EIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000040087682 213259813 /nfs/dbraw/zinc/25/98/13/213259813.db2.gz MLUJMJBQDPPCTK-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000859438 209693021 /nfs/dbraw/zinc/69/30/21/209693021.db2.gz OADNNBYIIHXSPK-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN O=[N+]([O-])/C=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000000475534 209625155 /nfs/dbraw/zinc/62/51/55/209625155.db2.gz IYPVCLKFPWXUBP-CMDGGOBGSA-N 0 0 334.169 4.276 50 5 EIBARN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC000000458167 209612852 /nfs/dbraw/zinc/61/28/52/209612852.db2.gz ZEFPKZVEHOLGQC-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000033191657 212905323 /nfs/dbraw/zinc/90/53/23/212905323.db2.gz QVMMZHOXDDZNBG-VHODGJRUSA-N 0 0 336.800 4.200 50 5 EIBARN Cc1sc2nc(SCc3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000031822152 212749703 /nfs/dbraw/zinc/74/97/03/212749703.db2.gz GGOOLTYYMUEQEN-UHFFFAOYSA-N 0 0 346.437 4.091 50 5 EIBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000335695 209540460 /nfs/dbraw/zinc/54/04/60/209540460.db2.gz BSWLGTUBFSWQPK-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000265803 209511024 /nfs/dbraw/zinc/51/10/24/209511024.db2.gz TVTZANIRORZXTO-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN C[S@@](=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000150060 209453820 /nfs/dbraw/zinc/45/38/20/209453820.db2.gz KWZSVQOMVYWGDL-QHCPKHFHSA-N 0 0 345.298 4.143 50 5 EIBARN CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000118138 209433129 /nfs/dbraw/zinc/43/31/29/209433129.db2.gz XHHXSPYRWPTXCC-UHFFFAOYSA-N 0 0 333.727 4.060 50 5 EIBARN O=[N+]([O-])C1=Cc2c(ccc3ccccc32)O[C@H]1c1ccc2c(c1)OCO2 ZINC000000091887 209414891 /nfs/dbraw/zinc/41/48/91/209414891.db2.gz FFBOMGRVEIJACO-FQEVSTJZSA-N 0 0 347.326 4.320 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000080665 209407330 /nfs/dbraw/zinc/40/73/30/209407330.db2.gz JBPHJKZYJSRNJB-UHFFFAOYSA-N 0 0 346.140 4.074 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccc(Cl)cc1 ZINC000000068858 209399440 /nfs/dbraw/zinc/39/94/40/209399440.db2.gz ZDPRCTFNRLTPSU-MRXNPFEDSA-N 0 0 348.811 4.136 50 5 EIBARN COc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] ZINC000000062527 209395908 /nfs/dbraw/zinc/39/59/08/209395908.db2.gz ZHKWADRCKUNNNZ-UHFFFAOYSA-N 0 0 341.392 4.286 50 5 EIBARN O=[N+]([O-])c1cccnc1Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000022023754 212271363 /nfs/dbraw/zinc/27/13/63/212271363.db2.gz LWQMCGOKFLGYCU-UHFFFAOYSA-N 0 0 327.340 4.165 50 5 EIBARN O=c1oc2c(ccc3c2CN(Cc2ccccc2)CO3)c2ccccc21 ZINC000020412305 212126708 /nfs/dbraw/zinc/12/67/08/212126708.db2.gz DPPWDHKFIITPLQ-UHFFFAOYSA-N 0 0 343.382 4.298 50 5 biogenic EIBARN CN(Cc1ccccc1)C(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000016576538 211913638 /nfs/dbraw/zinc/91/36/38/211913638.db2.gz JXLIYCNBVRLKDJ-UHFFFAOYSA-N 0 0 343.382 4.218 50 5 EIBARN CSc1ccc(C(=O)Nc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000014516502 211741179 /nfs/dbraw/zinc/74/11/79/211741179.db2.gz RKILDCRDSKWXCP-UHFFFAOYSA-N 0 0 339.376 4.117 50 5 EIBARN O=C(Nc1ccncc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000008780288 211006727 /nfs/dbraw/zinc/00/67/27/211006727.db2.gz PUNQBTIWJNJNDS-UHFFFAOYSA-N 0 0 343.726 4.156 50 5 EIBARN O=[N+]([O-])c1c(Oc2cccc(Cl)c2Cl)nc2sccn21 ZINC000008317378 210933192 /nfs/dbraw/zinc/93/31/92/210933192.db2.gz OSGVLZSRYZIWTP-UHFFFAOYSA-N 0 0 330.152 4.403 50 5 EIBARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000007649244 210825046 /nfs/dbraw/zinc/82/50/46/210825046.db2.gz HXEZFRKQPPKPKV-UHFFFAOYSA-N 0 0 328.221 4.005 50 5 EIBARN COc1ccccc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006911402 210741584 /nfs/dbraw/zinc/74/15/84/210741584.db2.gz QXHYLELJWHWBLA-UHFFFAOYSA-N 0 0 326.274 4.234 50 5 EIBARN Cc1ccc([N+](=O)[O-])c(C(=N)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000006426480 210632786 /nfs/dbraw/zinc/63/27/86/210632786.db2.gz QBHBFCMUZQFMOY-UHFFFAOYSA-N 0 0 335.319 4.381 50 5 EIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 ZINC000005735599 210527555 /nfs/dbraw/zinc/52/75/55/210527555.db2.gz FBHSDYVHRHSEJN-UHFFFAOYSA-N 0 0 346.386 4.043 50 5 EIBARN CC[C@@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000005467971 210470538 /nfs/dbraw/zinc/47/05/38/210470538.db2.gz SCURELDCIPSURR-LLVKDONJSA-N 0 0 343.339 4.269 50 5 EIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000005173386 210406732 /nfs/dbraw/zinc/40/67/32/210406732.db2.gz SZMANFIYPDHWOI-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CCN(CC)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005063008 210380352 /nfs/dbraw/zinc/38/03/52/210380352.db2.gz OSCUYHJCPBDOTC-UHFFFAOYSA-N 0 0 344.440 4.250 50 5 EIBARN CCOc1ccc([C@@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005042025 210373177 /nfs/dbraw/zinc/37/31/77/210373177.db2.gz ZTTQRCWCOPGRHU-GFCCVEGCSA-N 0 0 345.424 4.041 50 5 EIBARN CCN(CC)c1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000004998240 210354174 /nfs/dbraw/zinc/35/41/74/210354174.db2.gz LQTAEILPGOWNLK-UHFFFAOYSA-N 0 0 327.384 4.002 50 5 EIBARN Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1C ZINC000004995749 210353920 /nfs/dbraw/zinc/35/39/20/210353920.db2.gz FTLQUWBOZGKOJH-UHFFFAOYSA-N 0 0 338.323 4.412 50 5 EIBARN COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000004989734 210351544 /nfs/dbraw/zinc/35/15/44/210351544.db2.gz QWJCEWHENCVZMR-UHFFFAOYSA-N 0 0 341.150 4.163 50 5 EIBARN O=C(Nc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004983649 210348320 /nfs/dbraw/zinc/34/83/20/210348320.db2.gz ZQQLZBYPUIKAIV-UHFFFAOYSA-N 0 0 347.374 4.459 50 5 EIBARN O=[N+]([O-])c1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1 ZINC000000033466 208552135 /nfs/dbraw/zinc/55/21/35/208552135.db2.gz OEDLAFZNROBKDF-UHFFFAOYSA-N 0 0 337.404 4.281 50 5 biogenic,in-vitro EIBARN O=C(Nc1c2ccccc2nc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000004922253 210323860 /nfs/dbraw/zinc/32/38/60/210323860.db2.gz LJRSERXNPIWSGH-UHFFFAOYSA-N 0 0 347.374 4.274 50 5 EIBARN Cc1cccc(N2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000004843846 210297737 /nfs/dbraw/zinc/29/77/37/210297737.db2.gz WPMYVQPHVDMJEJ-XNTDXEJSSA-N 0 0 340.360 4.144 50 5 EIBARN COP(=O)(OC)[C@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004817182 210286663 /nfs/dbraw/zinc/28/66/63/210286663.db2.gz DRMKQTHRBPDLFD-HNNXBMFYSA-N 0 0 336.284 4.191 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(Cl)cc1C ZINC000004797194 210279981 /nfs/dbraw/zinc/27/99/81/210279981.db2.gz LZTHYWUCTYUAIW-UHFFFAOYSA-N 0 0 336.731 4.176 50 5 EIBARN O=[N+]([O-])c1ccc(CSc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000002171444 258049399 /nfs/dbraw/zinc/04/93/99/258049399.db2.gz KKZWXRGXGSAWTN-UHFFFAOYSA-N 0 0 329.337 4.277 50 5 EIBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002742471 135658538 /nfs/dbraw/zinc/65/85/38/135658538.db2.gz SYLRAMRMVBUOCS-JTQLQIEISA-N 0 0 348.761 4.369 50 5 EIBARN C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000478694 563335811 /nfs/dbraw/zinc/33/58/11/563335811.db2.gz HGUUWUJOHINQBP-SCLBCKFNSA-N 0 0 335.403 4.255 50 5 EIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(n2cccc2)CC1 ZINC000004347618 563662264 /nfs/dbraw/zinc/66/22/64/563662264.db2.gz IQXGYIHKLIJRKI-UHFFFAOYSA-N 0 0 339.317 4.257 50 5 EIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCSc2ccc(Cl)cc21 ZINC000032802025 563738813 /nfs/dbraw/zinc/73/88/13/563738813.db2.gz KMSQQQAZZWNHAR-UHFFFAOYSA-N 0 0 334.784 4.001 50 5 EIBARN Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1 ZINC000004575457 563784756 /nfs/dbraw/zinc/78/47/56/563784756.db2.gz AFALCLVYXLQWLF-UHFFFAOYSA-N 0 0 338.407 4.433 50 5 EIBARN Cc1cc(C)c(C)c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000016120171 563804012 /nfs/dbraw/zinc/80/40/12/563804012.db2.gz ICPAWXBEOJOIKA-UHFFFAOYSA-N 0 0 344.436 4.220 50 5 EIBARN COC(=O)c1c(C)oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc21 ZINC000000079399 563973708 /nfs/dbraw/zinc/97/37/08/563973708.db2.gz GKSWWENXWUCHKA-UHFFFAOYSA-N 0 0 341.319 4.015 50 5 EIBARN COc1ccccc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000087229 563974651 /nfs/dbraw/zinc/97/46/51/563974651.db2.gz GVWASLQJCUPCOG-UHFFFAOYSA-N 0 0 327.258 4.201 50 5 EIBARN CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C ZINC000044086826 563981237 /nfs/dbraw/zinc/98/12/37/563981237.db2.gz FONCTWPITMWPJG-UHFFFAOYSA-N 0 0 325.393 4.478 50 5 EIBARN Cc1cc(N[C@H]2CCc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858547 563983116 /nfs/dbraw/zinc/98/31/16/563983116.db2.gz CJXXVZKISRYRSU-SFHVURJKSA-N 0 0 346.390 4.460 50 5 EIBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(F)cc1 ZINC000000127460 563986886 /nfs/dbraw/zinc/98/68/86/563986886.db2.gz LXHHFOINDBUQPZ-UHFFFAOYSA-N 0 0 343.339 4.110 50 5 EIBARN O=C(Nc1ccccn1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000176137 563987579 /nfs/dbraw/zinc/98/75/79/563987579.db2.gz KNRKURFWIPWGKS-UHFFFAOYSA-N 0 0 333.756 4.110 50 5 EIBARN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000000191171 563988157 /nfs/dbraw/zinc/98/81/57/563988157.db2.gz BVDDPZWMLOYMCY-UHFFFAOYSA-N 0 0 339.376 4.279 50 5 EIBARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000231990 563989030 /nfs/dbraw/zinc/98/90/30/563989030.db2.gz CQXRHDJMSMHLGN-CQSZACIVSA-N 0 0 339.395 4.427 50 5 EIBARN Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000000259081 563989470 /nfs/dbraw/zinc/98/94/70/563989470.db2.gz ATRMCGMFUQBVPN-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN COc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000000272955 563990086 /nfs/dbraw/zinc/99/00/86/563990086.db2.gz OEBVDOWSRRGMCM-UHFFFAOYSA-N 0 0 338.319 4.116 50 5 EIBARN C[C@H](C1CC1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000000283623 563990171 /nfs/dbraw/zinc/99/01/71/563990171.db2.gz DQMRGQPDYBWDAY-CYBMUJFWSA-N 0 0 325.368 4.432 50 5 EIBARN Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000000295973 563990274 /nfs/dbraw/zinc/99/02/74/563990274.db2.gz FUERIWBNFOBTRM-UHFFFAOYSA-N 0 0 325.151 4.462 50 5 EIBARN CC(C)(C)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000000316689 563990910 /nfs/dbraw/zinc/99/09/10/563990910.db2.gz JJFSHBCNGCBLDI-UHFFFAOYSA-N 0 0 339.804 4.255 50 5 EIBARN O=[N+]([O-])c1ccc(-c2nc(N3CCc4ccccc4C3)cs2)cc1 ZINC000000310831 563990946 /nfs/dbraw/zinc/99/09/46/563990946.db2.gz PZXKFKFIZWVISX-UHFFFAOYSA-N 0 0 337.404 4.281 50 5 EIBARN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccsc1Cl ZINC000408515964 563993034 /nfs/dbraw/zinc/99/30/34/563993034.db2.gz CZNMSELOWGARMM-UHFFFAOYSA-N 0 0 339.804 4.016 50 5 EIBARN O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000000101896 563996128 /nfs/dbraw/zinc/99/61/28/563996128.db2.gz HCGGJJAZZONEIN-UHFFFAOYSA-N 0 0 332.359 4.114 50 5 EIBARN O=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000000454415 563999757 /nfs/dbraw/zinc/99/97/57/563999757.db2.gz WJVWDZANNMFNTG-UHFFFAOYSA-N 0 0 326.135 4.293 50 5 EIBARN COc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)nc(C)c2c1 ZINC000000456106 563999766 /nfs/dbraw/zinc/99/97/66/563999766.db2.gz CBEKRMBUKQHQEB-UHFFFAOYSA-N 0 0 341.392 4.147 50 5 EIBARN O=C(Oc1ccc(Cl)c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC000000454319 563999771 /nfs/dbraw/zinc/99/97/71/563999771.db2.gz HGLVVBKRUBVMGH-UHFFFAOYSA-N 0 0 328.711 4.016 50 5 EIBARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005191939 564000268 /nfs/dbraw/zinc/00/02/68/564000268.db2.gz MEPLPBQURJOJBL-UHFFFAOYSA-N 0 0 336.800 4.369 50 5 EIBARN CCc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000000462995 564000810 /nfs/dbraw/zinc/00/08/10/564000810.db2.gz LJUWGUSSARDXSD-UHFFFAOYSA-N 0 0 339.347 4.151 50 5 EIBARN O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000466743 564000835 /nfs/dbraw/zinc/00/08/35/564000835.db2.gz CYWUHAJUFNODSS-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN CC[C@@H](C)n1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000005484486 564004656 /nfs/dbraw/zinc/00/46/56/564004656.db2.gz ACLPZPYDLNFYGF-LLVKDONJSA-N 0 0 336.395 4.042 50 5 EIBARN CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005495969 564004702 /nfs/dbraw/zinc/00/47/02/564004702.db2.gz UVUWNHBAWRPOGU-UHFFFAOYSA-N 0 0 326.352 4.076 50 5 EIBARN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000110174704 564006719 /nfs/dbraw/zinc/00/67/19/564006719.db2.gz CKTQGAVWIHEFFK-MRVPVSSYSA-N 0 0 340.713 4.017 50 5 EIBARN Cc1c(CNc2ccccc2[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000272158213 564007194 /nfs/dbraw/zinc/00/71/94/564007194.db2.gz WXRCKPDVFZYUGH-OAHLLOKOSA-N 0 0 340.301 4.111 50 5 EIBARN O=C(Nc1cccc2ncccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000000521394 564020920 /nfs/dbraw/zinc/02/09/20/564020920.db2.gz DWMHVXAMNPTZAD-UHFFFAOYSA-N 0 0 327.727 4.049 50 5 EIBARN CC1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000000558402 564022858 /nfs/dbraw/zinc/02/28/58/564022858.db2.gz AEPHSMNRUKZDEO-UHFFFAOYSA-N 0 0 339.395 4.083 50 5 EIBARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000570047 564023212 /nfs/dbraw/zinc/02/32/12/564023212.db2.gz CHXLZUNRSBYPAE-UHFFFAOYSA-N 0 0 345.786 4.101 50 5 EIBARN O=C(OCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000572014 564023591 /nfs/dbraw/zinc/02/35/91/564023591.db2.gz JAYVVHPVEQNJCK-UHFFFAOYSA-N 0 0 326.135 4.259 50 5 EIBARN O=c1oc2ccc3ccccc3c2cc1-c1n[nH]c(-c2ccccc2)n1 ZINC000005731530 564024604 /nfs/dbraw/zinc/02/46/04/564024604.db2.gz MJHQZZOGRZBPKG-UHFFFAOYSA-N 0 0 339.354 4.398 50 5 EIBARN Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000005752345 564026618 /nfs/dbraw/zinc/02/66/18/564026618.db2.gz YYPOTBLJWXNXRD-UHFFFAOYSA-N 0 0 331.368 4.459 50 5 EIBARN O=C(O[C@@H]1C[C@@]23CC=CC[C@@]12CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000045027836 564028046 /nfs/dbraw/zinc/02/80/46/564028046.db2.gz GHVXUURYWQXWHI-NZSAHSFTSA-N 0 0 327.380 4.421 50 5 EIBARN COc1ccccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000000616233 564031809 /nfs/dbraw/zinc/03/18/09/564031809.db2.gz VXENAGQEDDBHDQ-UHFFFAOYSA-N 0 0 340.379 4.054 50 5 EIBARN O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCc2ccccc21 ZINC000000617109 564032840 /nfs/dbraw/zinc/03/28/40/564032840.db2.gz HAIXTTZLPINZKC-UHFFFAOYSA-N 0 0 341.366 4.149 50 5 EIBARN C[C@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000000620112 564033149 /nfs/dbraw/zinc/03/31/49/564033149.db2.gz OAQNPDOPPMUYAI-ZDUSSCGKSA-N 0 0 336.347 4.346 50 5 EIBARN Cc1nn(C)c(NCc2ccccc2Oc2ccccc2)c1[N+](=O)[O-] ZINC000063281974 564056964 /nfs/dbraw/zinc/05/69/64/564056964.db2.gz QVJYIKCZNCYURA-UHFFFAOYSA-N 0 0 338.367 4.041 50 5 EIBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])s1 ZINC000005445629 564062493 /nfs/dbraw/zinc/06/24/93/564062493.db2.gz VTXRMJUKJACKDH-UHFFFAOYSA-N 0 0 339.785 4.172 50 5 EIBARN Cc1cc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 ZINC000025833747 564064170 /nfs/dbraw/zinc/06/41/70/564064170.db2.gz ZPVQEVROWJMZON-CYBMUJFWSA-N 0 0 341.411 4.181 50 5 EIBARN O=C1NC(=S)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001452513 564072863 /nfs/dbraw/zinc/07/28/63/564072863.db2.gz DNCIZVIDQRGWMB-KPKJPENVSA-N 0 0 332.362 4.184 50 5 EIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCSc1ccccc1 ZINC000006082821 564073664 /nfs/dbraw/zinc/07/36/64/564073664.db2.gz WOPPMJUVABTXEZ-UHFFFAOYSA-N 0 0 346.408 4.114 50 5 EIBARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012822186 564074632 /nfs/dbraw/zinc/07/46/32/564074632.db2.gz OWZWRZUTRXEXPU-UHFFFAOYSA-N 0 0 333.347 4.218 50 5 EIBARN Cc1c(C(=O)N2CC[C@H](C)Sc3ccccc32)cccc1[N+](=O)[O-] ZINC000012857989 564075597 /nfs/dbraw/zinc/07/55/97/564075597.db2.gz ZUTAWINGRAVZRL-LBPRGKRZSA-N 0 0 342.420 4.434 50 5 EIBARN Cc1cccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] ZINC000012906259 564077841 /nfs/dbraw/zinc/07/78/41/564077841.db2.gz GNQIZJBCCARJKS-ZDUSSCGKSA-N 0 0 338.363 4.483 50 5 EIBARN O=C(c1cccc2nc3ccccc3nc21)N1CCCc2ccccc21 ZINC000075252054 564081189 /nfs/dbraw/zinc/08/11/89/564081189.db2.gz KIXHLSAJTYLTAF-UHFFFAOYSA-N 0 0 339.398 4.376 50 5 EIBARN Cc1ccc(O[C@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000006426867 564086198 /nfs/dbraw/zinc/08/61/98/564086198.db2.gz RHZHSXZENOMTQH-GFCCVEGCSA-N 0 0 325.324 4.093 50 5 EIBARN CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000001894249 564089144 /nfs/dbraw/zinc/08/91/44/564089144.db2.gz QNXYBPNWCLRSAV-UHFFFAOYSA-N 0 0 337.379 4.027 50 5 EIBARN O=C(Nc1ncc([N+](=O)[O-])s1)Nc1ccc(Cl)c(Cl)c1 ZINC000006862937 564099828 /nfs/dbraw/zinc/09/98/28/564099828.db2.gz PQSHNLHSNRWFDA-UHFFFAOYSA-N 0 0 333.156 4.002 50 5 EIBARN Cc1cccc2sc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 ZINC000006947654 564102143 /nfs/dbraw/zinc/10/21/43/564102143.db2.gz DQZOWNQXVAUWCS-UHFFFAOYSA-N 0 0 328.353 4.157 50 5 EIBARN CCOc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000007122028 564105190 /nfs/dbraw/zinc/10/51/90/564105190.db2.gz SCVBXBXLUFPUCN-MRXNPFEDSA-N 0 0 348.424 4.182 50 5 EIBARN NC(=O)c1ccc(CS[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000065489842 564106362 /nfs/dbraw/zinc/10/63/62/564106362.db2.gz CZKWEUMNOVDUSS-QGZVFWFLSA-N 0 0 342.420 4.005 50 5 EIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(Cl)ccc1C ZINC000017070669 564116305 /nfs/dbraw/zinc/11/63/05/564116305.db2.gz IUZCLAMOTXQTSG-UHFFFAOYSA-N 0 0 335.747 4.209 50 5 EIBARN COc1ccc2c(c1[N+](=O)[O-])CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000101361794 564129489 /nfs/dbraw/zinc/12/94/89/564129489.db2.gz QDFCXLJPTBSDPF-DZDCQFRTSA-N 0 0 329.396 4.029 50 5 EIBARN COc1cccc(C(=O)Nc2c(C)cc(Cl)cc2C)c1[N+](=O)[O-] ZINC000225508184 564135587 /nfs/dbraw/zinc/13/55/87/564135587.db2.gz VAWUGZHKPWVZMI-UHFFFAOYSA-N 0 0 334.759 4.126 50 5 EIBARN CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000095837020 564141900 /nfs/dbraw/zinc/14/19/00/564141900.db2.gz RERYBXVNHMAABS-UHFFFAOYSA-N 0 0 343.383 4.100 50 5 EIBARN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nccs2)cc1Cl ZINC000095940907 564142002 /nfs/dbraw/zinc/14/20/02/564142002.db2.gz AGJDMHDNHZFYNQ-CQSZACIVSA-N 0 0 337.832 4.432 50 5 EIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000096404452 564147291 /nfs/dbraw/zinc/14/72/91/564147291.db2.gz BJNHSNZCDJWPDS-AWEZNQCLSA-N 0 0 337.379 4.443 50 5 EIBARN O=c1[nH]c2ccccc2cc1/C=C\c1nc2cc([N+](=O)[O-])ccc2s1 ZINC000096998143 564149039 /nfs/dbraw/zinc/14/90/39/564149039.db2.gz GLIKXMKQSMKMSO-YVMONPNESA-N 0 0 349.371 4.216 50 5 EIBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1F ZINC000002726410 564152308 /nfs/dbraw/zinc/15/23/08/564152308.db2.gz XFIBVRQXASYVEG-UHFFFAOYSA-N 0 0 340.763 4.118 50 5 EIBARN COc1cc(C)ccc1OCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002983531 564153999 /nfs/dbraw/zinc/15/39/99/564153999.db2.gz RZUKTTHGDBLVHP-UHFFFAOYSA-N 0 0 331.368 4.150 50 5 EIBARN CCOc1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002983870 564154087 /nfs/dbraw/zinc/15/40/87/564154087.db2.gz LJLADAVFCKQWPX-UHFFFAOYSA-N 0 0 331.368 4.232 50 5 EIBARN COc1cc(C)ccc1OCCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000002984824 564154136 /nfs/dbraw/zinc/15/41/36/564154136.db2.gz ZGNJIKITBQWNHA-UHFFFAOYSA-N 0 0 345.395 4.458 50 5 EIBARN CC[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000003125066 564155292 /nfs/dbraw/zinc/15/52/92/564155292.db2.gz YQYBZRJNPSCVTO-YVEFUNNKSA-N 0 0 329.352 4.040 50 5 EIBARN CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000003214197 564156042 /nfs/dbraw/zinc/15/60/42/564156042.db2.gz NWBMKBLSXSVSJX-UHFFFAOYSA-N 0 0 345.405 4.179 50 5 EIBARN CC(C)(C)c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000008156556 564163238 /nfs/dbraw/zinc/16/32/38/564163238.db2.gz RMJFPKDYDPKEHQ-UHFFFAOYSA-N 0 0 343.379 4.338 50 5 EIBARN O=C(N[C@H]1CCSc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171845794 564165995 /nfs/dbraw/zinc/16/59/95/564165995.db2.gz 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