smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H](Nc1ccc2nonc2c1[N+](=O)[O-])C(=O)[O-] ZINC000085419069 179059400 /nfs/dbraw/zinc/05/94/00/179059400.db2.gz BOOHRNRCKYJUKF-SECBINFHSA-N -1 0 294.267 2.042 50 5 CEBARM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000079482253 363608145 /nfs/dbraw/zinc/60/81/45/363608145.db2.gz RRBMANDZBNJRIZ-ZDUSSCGKSA-N -1 0 293.279 2.066 50 5 CEBARM CC1(C)S[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1C(=O)[O-] ZINC000000134514 361133974 /nfs/dbraw/zinc/13/39/74/361133974.db2.gz OGHPTFQLKPPMPJ-UWVGGRQHSA-N -1 0 282.321 2.162 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000000368954 361166284 /nfs/dbraw/zinc/16/62/84/361166284.db2.gz WIEZIWHINZZOEH-UHFFFAOYSA-N -1 0 281.655 2.191 50 5 CEBARM C[C@H](Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000002150507 361229118 /nfs/dbraw/zinc/22/91/18/361229118.db2.gz KVSBVYVACQGKDX-YFKPBYRVSA-N -1 0 272.238 2.068 50 5 CEBARM CC1(C)CC(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)=C([O-])C1 ZINC000100319427 364544914 /nfs/dbraw/zinc/54/49/14/364544914.db2.gz KESBOEBJMZKRMH-UHFFFAOYSA-N -1 0 289.287 2.352 50 5 CEBARM C[C@@H](Sc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000008362649 170333377 /nfs/dbraw/zinc/33/33/77/170333377.db2.gz APSFXVNDHQWMPH-ZCFIWIBFSA-N -1 0 295.276 2.210 50 5 CEBARM Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1Br ZINC000216701245 301151925 /nfs/dbraw/zinc/15/19/25/301151925.db2.gz WKLFXBXUSBBVQO-UHFFFAOYSA-N -1 0 260.043 2.364 50 5 CEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccn(C(F)F)n1 ZINC000036611182 361848200 /nfs/dbraw/zinc/84/82/00/361848200.db2.gz FHEQZOQCZQDMPU-UHFFFAOYSA-N -1 0 298.205 2.144 50 5 CEBARM O=C(NC[C@H]1Cc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097237020 344243874 /nfs/dbraw/zinc/24/38/74/344243874.db2.gz UUTSPKQXEXTWKR-GFCCVEGCSA-N -1 0 298.298 2.370 50 5 CEBARM Cc1nn(-c2cccc(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000004385405 361315270 /nfs/dbraw/zinc/31/52/70/361315270.db2.gz QVOJDHFRGANLGJ-UHFFFAOYSA-N -1 0 261.237 2.096 50 5 CEBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=CC=Cc2ccccc2)[nH]1 ZINC000017039885 361502264 /nfs/dbraw/zinc/50/22/64/361502264.db2.gz WPCJKXZPNGDSQL-MVTUOISNSA-N -1 0 285.259 2.110 50 5 CEBARM O=C(C[C@@H]1CCCCO1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166101526 367318190 /nfs/dbraw/zinc/31/81/90/367318190.db2.gz YQLTWFPCAOBEIT-JTQLQIEISA-N -1 0 280.280 2.198 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004903368 304227688 /nfs/dbraw/zinc/22/76/88/304227688.db2.gz SHVNXUIVITYKHP-UHFFFAOYSA-N -1 0 295.251 2.192 50 5 CEBARM CC[C@H](C)Nc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000004117154 287625330 /nfs/dbraw/zinc/62/53/30/287625330.db2.gz CJQGADOPJHJTTA-LURJTMIESA-N -1 0 283.240 2.412 50 5 CEBARM Cn1cnc([N+](=O)[O-])c1Sc1ccccc1C(=O)[O-] ZINC000000147034 303021645 /nfs/dbraw/zinc/02/16/45/303021645.db2.gz ISCZHKSKRHZFIV-UHFFFAOYSA-N -1 0 279.277 2.178 50 5 CEBARM CCOC(=O)C=C([O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000071772186 363113587 /nfs/dbraw/zinc/11/35/87/363113587.db2.gz UEFBRQBDPZDWFJ-UHFFFAOYSA-N -1 0 271.656 2.384 50 5 CEBARM O=C([O-])Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000039931286 304088471 /nfs/dbraw/zinc/08/84/71/304088471.db2.gz OAMLZHSUJCIZAA-UHFFFAOYSA-N -1 0 264.281 2.212 50 5 CEBARM O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2ccc([O-])cc21 ZINC000000613989 361189643 /nfs/dbraw/zinc/18/96/43/361189643.db2.gz WQJHISQILHXRNW-UHFFFAOYSA-N -1 0 284.227 2.469 50 5 CEBARM O=C1N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000022989698 361591737 /nfs/dbraw/zinc/59/17/37/361591737.db2.gz HAQUUPQMAOAEQR-CYBMUJFWSA-N -1 0 285.259 2.155 50 5 CEBARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000233250 304107301 /nfs/dbraw/zinc/10/73/01/304107301.db2.gz WLUJSGQJOUITAU-NWDGAFQWSA-N -1 0 292.291 2.424 50 5 CEBARM C[C@H](OCC1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531641 363977953 /nfs/dbraw/zinc/97/79/53/363977953.db2.gz DFLVTLHQMKULMX-QMMMGPOBSA-N -1 0 280.280 2.054 50 5 CEBARM O=C([O-])c1c(Br)c(F)ccc1[N+](=O)[O-] ZINC000116205033 304216758 /nfs/dbraw/zinc/21/67/58/304216758.db2.gz WHOTUUFDHGVXSG-UHFFFAOYSA-N -1 0 264.006 2.195 50 5 CEBARM O=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000005763684 304281884 /nfs/dbraw/zinc/28/18/84/304281884.db2.gz IBVCOHAMYOJGBA-UHFFFAOYSA-N -1 0 250.235 2.417 50 5 CEBARM O=C([O-])COc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000001606602 169724258 /nfs/dbraw/zinc/72/42/58/169724258.db2.gz MNXWREGNAUJMIX-UHFFFAOYSA-N -1 0 266.036 2.365 50 5 CEBARM COC(=O)c1cc(=O)c2ccc3c(N)cccc3c2[n-]1 ZINC000071772797 291995532 /nfs/dbraw/zinc/99/55/32/291995532.db2.gz OZFSJZYIOFCGBS-UHFFFAOYSA-N -1 0 268.272 2.050 50 5 CEBARM O=C([O-])c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000005660264 170125093 /nfs/dbraw/zinc/12/50/93/170125093.db2.gz HKNOSSGRHQYZMZ-UHFFFAOYSA-N -1 0 262.221 2.498 50 5 CEBARM CCCc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]1 ZINC000072286986 176360532 /nfs/dbraw/zinc/36/05/32/176360532.db2.gz JRWUAVVDEANTFC-UHFFFAOYSA-N -1 0 290.279 2.228 50 5 CEBARM COc1cccc2c(=O)c3cccc(C(=O)[O-])c3[nH]c12 ZINC000022006222 295331874 /nfs/dbraw/zinc/33/18/74/295331874.db2.gz ZDSRKZQRHDTJCK-UHFFFAOYSA-N -1 0 269.256 2.388 50 5 in-vitro CEBARM O=C([O-])C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000015443158 361473214 /nfs/dbraw/zinc/47/32/14/361473214.db2.gz XPMOSINNTOGFGS-UHFFFAOYSA-N -1 0 268.244 2.035 50 5 CEBARM CN(Cc1nccs1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097112847 364456352 /nfs/dbraw/zinc/45/63/52/364456352.db2.gz IVSDSRSFILKBOT-UHFFFAOYSA-N -1 0 293.304 2.029 50 5 CEBARM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000166151104 367319758 /nfs/dbraw/zinc/31/97/58/367319758.db2.gz ZRPGEBBVFQENQD-UHFFFAOYSA-N -1 0 277.211 2.087 50 5 CEBARM O=C([O-])c1ccc(-n2nnc3ccccc32)c([N+](=O)[O-])c1 ZINC000004206345 304231024 /nfs/dbraw/zinc/23/10/24/304231024.db2.gz BXPXHOJLXPWUNU-UHFFFAOYSA-N -1 0 284.231 2.027 50 5 CEBARM O=c1[nH]c(C=Cc2ccccc2Cl)nc([O-])c1[N+](=O)[O-] ZINC000008782285 170355837 /nfs/dbraw/zinc/35/58/37/170355837.db2.gz DWVMIJUZUVMNNB-AATRIKPKSA-N -1 0 293.666 2.208 50 5 CEBARM CCO[P@](=O)([O-])COc1ccc([N+](=O)[O-])cc1 ZINC000002899959 361257329 /nfs/dbraw/zinc/25/73/29/361257329.db2.gz WWRCWDUOKYQAMJ-UHFFFAOYSA-N -1 0 261.170 2.153 50 5 CEBARM CCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517247 361319462 /nfs/dbraw/zinc/31/94/62/361319462.db2.gz WSJNAXWRYWZIBW-VIFPVBQESA-N -1 0 283.240 2.168 50 5 CEBARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004596891 361322803 /nfs/dbraw/zinc/32/28/03/361322803.db2.gz OMUPALOXANKWJW-VXGBXAGGSA-N -1 0 292.291 2.424 50 5 CEBARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000265990 304175883 /nfs/dbraw/zinc/17/58/83/304175883.db2.gz RQDJQZJFPQXPPH-RYUDHWBXSA-N -1 0 290.275 2.200 50 5 CEBARM O=C([O-])c1cc2c(nc3ccccn32)c([N+](=O)[O-])c1 ZINC000020436657 304228895 /nfs/dbraw/zinc/22/88/95/304228895.db2.gz CLYUFUBUXPAUOF-UHFFFAOYSA-N -1 0 257.205 2.094 50 5 CEBARM O=C([O-])c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005749130 304284934 /nfs/dbraw/zinc/28/49/34/304284934.db2.gz KSPSQGXCQMJFKD-UHFFFAOYSA-N -1 0 291.307 2.415 50 5 CEBARM O=C([O-])CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005670908 170126169 /nfs/dbraw/zinc/12/61/69/170126169.db2.gz QAJBNOGVDJJXQX-UHFFFAOYSA-N -1 0 272.644 2.052 50 5 CEBARM O=C([O-])C[C@@H](c1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000005764024 170138434 /nfs/dbraw/zinc/13/84/34/170138434.db2.gz HLNWXAGAISCNHC-LBPRGKRZSA-N -1 0 260.249 2.460 50 5 CEBARM O=C([O-])c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000032919089 326898495 /nfs/dbraw/zinc/89/84/95/326898495.db2.gz LIZFGFJDEMATAW-UHFFFAOYSA-N -1 0 260.205 2.480 50 5 CEBARM CC[C@@H](C)Nc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000004117153 361301389 /nfs/dbraw/zinc/30/13/89/361301389.db2.gz CJQGADOPJHJTTA-ZCFIWIBFSA-N -1 0 283.240 2.412 50 5 CEBARM O=C([O-])c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000004219005 361306628 /nfs/dbraw/zinc/30/66/28/361306628.db2.gz YOVABYPJWOIWLM-UHFFFAOYSA-N -1 0 276.204 2.138 50 5 CEBARM CO[C@@H](C)CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166110837 367317698 /nfs/dbraw/zinc/31/76/98/367317698.db2.gz VJJRGJXZDMCNTQ-QMMMGPOBSA-N -1 0 268.269 2.054 50 5 CEBARM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000004521715 169977148 /nfs/dbraw/zinc/97/71/48/169977148.db2.gz DJFNQJJTTPMBIL-UHFFFAOYSA-N -1 0 294.267 2.188 50 5 in-vitro CEBARM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000032508807 278200211 /nfs/dbraw/zinc/20/02/11/278200211.db2.gz JQSOCJXMXMBGFD-LBPRGKRZSA-N -1 0 295.295 2.074 50 5 CEBARM CC(=O)c1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000147040907 278242593 /nfs/dbraw/zinc/24/25/93/278242593.db2.gz WLTQCPUBXLOJQM-UHFFFAOYSA-N -1 0 260.043 2.266 50 5 CEBARM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000097101052 321694016 /nfs/dbraw/zinc/69/40/16/321694016.db2.gz SJMLQQBWEVKIOH-UHFFFAOYSA-N -1 0 277.211 2.087 50 5 CEBARM CCOC(=O)c1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000085477365 179079910 /nfs/dbraw/zinc/07/99/10/179079910.db2.gz KRAMMRJISMDSHL-UHFFFAOYSA-N -1 0 290.069 2.240 50 5 CEBARM Cc1nnc(SCc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000018029173 361514371 /nfs/dbraw/zinc/51/43/71/361514371.db2.gz YFRYTNIDPHCTGM-UHFFFAOYSA-N -1 0 278.293 2.086 50 5 CEBARM CC[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090414066 364056858 /nfs/dbraw/zinc/05/68/58/364056858.db2.gz HCGPXJPXFRMKMP-SSDOTTSWSA-N -1 0 254.198 2.081 50 5 CEBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(CC(F)F)C1CC1 ZINC000095429605 364371810 /nfs/dbraw/zinc/37/18/10/364371810.db2.gz GWTAGXNFESVOKQ-UHFFFAOYSA-N -1 0 286.234 2.170 50 5 CEBARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004596889 304181487 /nfs/dbraw/zinc/18/14/87/304181487.db2.gz OMUPALOXANKWJW-NEPJUHHUSA-N -1 0 292.291 2.424 50 5 CEBARM O=C([O-])c1ccc(/N=c2\ccc([N+](=O)[O-])ccc2O)cc1 ZINC000036485138 304232611 /nfs/dbraw/zinc/23/26/11/304232611.db2.gz CNVZCNZGGGASJJ-UHFFFAOYSA-N -1 0 286.243 2.231 50 5 CEBARM Cc1sc(CCCCC(=O)[O-])c(N)c1[N+](=O)[O-] ZINC000005276847 170082084 /nfs/dbraw/zinc/08/20/84/170082084.db2.gz LYTHLEQGHLPJHK-UHFFFAOYSA-N -1 0 258.299 2.344 50 5 CEBARM Cc1cc([O-])c([C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c(=O)o1 ZINC000006233009 170184533 /nfs/dbraw/zinc/18/45/33/170184533.db2.gz MDUCQQHDUJJQBQ-NSHDSACASA-N -1 0 293.250 2.202 50 5 CEBARM O=C([O-])c1nn(Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000063121439 175681874 /nfs/dbraw/zinc/68/18/74/175681874.db2.gz UDHFVNQRGRKGTP-UHFFFAOYSA-N -1 0 281.655 2.191 50 5 CEBARM O=[N+]([O-])c1cc(CSc2nncs2)ccc1[O-] ZINC000034851919 361796502 /nfs/dbraw/zinc/79/65/02/361796502.db2.gz SVKLBMZBCPXTGL-UHFFFAOYSA-N -1 0 269.307 2.444 50 5 CEBARM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccnc1 ZINC000119898150 344297148 /nfs/dbraw/zinc/29/71/48/344297148.db2.gz ZUKZKTJMWUVAIA-SECBINFHSA-N -1 0 287.275 2.186 50 5 CEBARM O=C([O-])Cc1cc(Br)c([N+](=O)[O-])cc1F ZINC000169794992 304088255 /nfs/dbraw/zinc/08/82/55/304088255.db2.gz AJRVYISUYCOAKA-UHFFFAOYSA-N -1 0 278.033 2.124 50 5 CEBARM O=C([O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000003884579 304246634 /nfs/dbraw/zinc/24/66/34/304246634.db2.gz YVODCTHEVCBRCV-UHFFFAOYSA-N -1 0 250.254 2.283 50 5 CEBARM C[C@H](Sc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000004343599 169960254 /nfs/dbraw/zinc/96/02/54/169960254.db2.gz NITWPJHQDIGKOS-YFKPBYRVSA-N -1 0 272.238 2.068 50 5 CEBARM CCN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000013940384 170610310 /nfs/dbraw/zinc/61/03/10/170610310.db2.gz RKUGHHFZMRJRLM-POHAHGRESA-N -1 0 294.288 2.357 50 5 CEBARM Cc1cc(I)c([O-])c([N+](=O)[O-])c1 ZINC000037102953 301326338 /nfs/dbraw/zinc/32/63/38/301326338.db2.gz ZGSKNXKQYFZYAW-UHFFFAOYSA-N -1 0 279.033 2.213 50 5 CEBARM Cc1cc(N2CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000015443727 301333903 /nfs/dbraw/zinc/33/39/03/301333903.db2.gz RBJWQTYDDHKHFU-LBPRGKRZSA-N -1 0 264.281 2.347 50 5 CEBARM O=C([O-])c1cccc(Nc2ccncc2[N+](=O)[O-])c1 ZINC000004187624 361303880 /nfs/dbraw/zinc/30/38/80/361303880.db2.gz ZUWZJQHKYQJMDW-UHFFFAOYSA-N -1 0 259.221 2.432 50 5 CEBARM O=C([O-])c1cc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000016158718 361484617 /nfs/dbraw/zinc/48/46/17/361484617.db2.gz GQEIKAXUKWLVPL-UHFFFAOYSA-N -1 0 251.116 2.192 50 5 CEBARM CC(C)C[C@H](Nc1ccc2nonc2c1[N+](=O)[O-])C(=O)[O-] ZINC000006719596 170231854 /nfs/dbraw/zinc/23/18/54/170231854.db2.gz BOOHRNRCKYJUKF-VIFPVBQESA-N -1 0 294.267 2.042 50 5 CEBARM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000170599969 344485848 /nfs/dbraw/zinc/48/58/48/344485848.db2.gz NIJCUOWZCXJWNH-VXGBXAGGSA-N -1 0 299.286 2.438 50 5 CEBARM CC[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090414065 179983280 /nfs/dbraw/zinc/98/32/80/179983280.db2.gz HCGPXJPXFRMKMP-ZETCQYMHSA-N -1 0 254.198 2.081 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])ccc1NCc1cccnc1 ZINC000004183294 361303474 /nfs/dbraw/zinc/30/34/74/361303474.db2.gz UNRHHSLXQOXJTL-UHFFFAOYSA-N -1 0 273.248 2.300 50 5 CEBARM O=C([O-])[C@H](Cc1c[nH]c(=O)s1)c1ccc([N+](=O)[O-])cc1 ZINC000006472484 170203947 /nfs/dbraw/zinc/20/39/47/170203947.db2.gz MPOBYAOOPSNJEI-SNVBAGLBSA-N -1 0 294.288 2.168 50 5 CEBARM O=C(Nc1cccc2[nH]cnc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000072304133 176366128 /nfs/dbraw/zinc/36/61/28/176366128.db2.gz FIBSBOGZLBUTTC-UHFFFAOYSA-N -1 0 298.258 2.429 50 5 CEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC12CCOCC2 ZINC000089530903 363977674 /nfs/dbraw/zinc/97/76/74/363977674.db2.gz YGVZQPXEPCCZLB-SNVBAGLBSA-N -1 0 292.291 2.056 50 5 CEBARM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C1CC1 ZINC000166176262 367319573 /nfs/dbraw/zinc/31/95/73/367319573.db2.gz IRKIQWDTEWMNJQ-NXEZZACHSA-N -1 0 262.265 2.285 50 5 CEBARM Cc1cnccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000072281367 363125998 /nfs/dbraw/zinc/12/59/98/363125998.db2.gz QDXRZNXELAMLPM-UHFFFAOYSA-N -1 0 299.333 2.161 50 5 CEBARM 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O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000265988 361154480 /nfs/dbraw/zinc/15/44/80/361154480.db2.gz RQDJQZJFPQXPPH-VXGBXAGGSA-N -1 0 290.275 2.200 50 5 CEBARM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000004635983 361324120 /nfs/dbraw/zinc/32/41/20/361324120.db2.gz IUHFQKRMPSUSEA-UHFFFAOYSA-N -1 0 294.288 2.101 50 5 CEBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Cl)c2)[nH]1 ZINC000014944167 361461952 /nfs/dbraw/zinc/46/19/52/361461952.db2.gz NJFTZSDGBXWXJT-SNAWJCMRSA-N -1 0 293.666 2.208 50 5 CEBARM O=[N+]([O-])c1ccc([O-])cc1CN1CCOCC12CCCC2 ZINC000093840498 364234654 /nfs/dbraw/zinc/23/46/54/364234654.db2.gz BRIHGCNTWYGVPF-UHFFFAOYSA-N -1 0 292.335 2.445 50 5 CEBARM O=C([O-])[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1F ZINC000015443733 304181037 /nfs/dbraw/zinc/18/10/37/304181037.db2.gz FSFDTZCRILGPCY-LLVKDONJSA-N -1 0 268.244 2.177 50 5 CEBARM O=[N+]([O-])c1cnc([N-]c2ccccc2O)c([N+](=O)[O-])c1 ZINC000005128675 170069209 /nfs/dbraw/zinc/06/92/09/170069209.db2.gz 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Nc1cc(-c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000098087285 364530065 /nfs/dbraw/zinc/53/00/65/364530065.db2.gz ZKLKUHCANIWRBC-UHFFFAOYSA-N -1 0 275.220 2.458 50 5 CEBARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004592779 304176098 /nfs/dbraw/zinc/17/60/98/304176098.db2.gz JCMZGYFOPVETIT-NEPJUHHUSA-N -1 0 290.275 2.200 50 5 CEBARM CCn1cc(C(=O)[O-])c(=O)c([N+](=O)[O-])c1-c1ccccc1 ZINC000002490767 169795096 /nfs/dbraw/zinc/79/50/96/169795096.db2.gz NTDSAVQYXWZJRP-UHFFFAOYSA-N -1 0 288.259 2.142 50 5 CEBARM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002150326 361229212 /nfs/dbraw/zinc/22/92/12/361229212.db2.gz WRABUSWKVRCOCO-UHFFFAOYSA-N -1 0 272.238 2.070 50 5 CEBARM O=[N+]([O-])c1cc2nc(C(F)(F)F)nc2c2[n-]snc21 ZINC000004010271 361296504 /nfs/dbraw/zinc/29/65/04/361296504.db2.gz OOBCABYRIUZSIT-UHFFFAOYSA-N -1 0 289.198 2.495 50 5 CEBARM Cc1cc([N+](=O)[O-])c(NCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000004054574 361299390 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264.006 2.195 50 5 CEBARM CN(CC(C)(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097112680 185538293 /nfs/dbraw/zinc/53/82/93/185538293.db2.gz TWYKAUZBNCKJCL-UHFFFAOYSA-N -1 0 266.297 2.419 50 5 CEBARM CC(C)(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000002557829 361240640 /nfs/dbraw/zinc/24/06/40/361240640.db2.gz ZLDJFKWZIPCOEU-UHFFFAOYSA-N -1 0 259.645 2.490 50 5 CEBARM O=[N+]([O-])c1cnc([N-]c2ccccn2)c([N+](=O)[O-])c1 ZINC000003880510 361291300 /nfs/dbraw/zinc/29/13/00/361291300.db2.gz MGKYISWVTAZEAT-UHFFFAOYSA-N -1 0 261.197 2.037 50 5 CEBARM O=c1[n-]c([N+](=O)[O-])nn1C(c1ccccc1)c1ccccc1 ZINC000013142311 361420973 /nfs/dbraw/zinc/42/09/73/361420973.db2.gz ZGOCMWSHJFBGTD-UHFFFAOYSA-N -1 0 296.286 2.117 50 5 CEBARM O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cn2)s1 ZINC000020357776 304230368 /nfs/dbraw/zinc/23/03/68/304230368.db2.gz MERFMCXMZKFOIR-UHFFFAOYSA-N -1 0 250.235 2.417 50 5 CEBARM O=C([O-])c1ccc([N+](=O)[O-])cc1NC(=O)c1ccco1 ZINC000000089134 304251385 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ZINC000307217368 376560757 /nfs/dbraw/zinc/56/07/57/376560757.db2.gz CBHYBKFWYLJZJF-UHFFFAOYSA-N -1 0 253.986 2.341 50 5 CEBARM O=C([O-])c1cc(Br)c(F)c([N+](=O)[O-])c1 ZINC000074934291 304220836 /nfs/dbraw/zinc/22/08/36/304220836.db2.gz DEPOWDIDJDBOFC-UHFFFAOYSA-N -1 0 264.006 2.195 50 5 CEBARM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1C ZINC000195567517 299958566 /nfs/dbraw/zinc/95/85/66/299958566.db2.gz DDWZEPILIUNTTC-IUCAKERBSA-N -1 0 264.281 2.171 50 5 CEBARM O=C([O-])CCCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669160 361920903 /nfs/dbraw/zinc/92/09/03/361920903.db2.gz OLEGLWXUHHXYCT-UHFFFAOYSA-N -1 0 298.270 2.109 50 5 CEBARM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nccs1 ZINC000195567415 344523059 /nfs/dbraw/zinc/52/30/59/344523059.db2.gz HGTCGAVWGOZUJD-ZETCQYMHSA-N -1 0 293.304 2.248 50 5 CEBARM O=C([O-])C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000015443263 304042027 /nfs/dbraw/zinc/04/20/27/304042027.db2.gz JLYBRZKHLYQTQU-UHFFFAOYSA-N -1 0 268.244 2.035 50 5 CEBARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000233254 304181293 /nfs/dbraw/zinc/18/12/93/304181293.db2.gz WLUJSGQJOUITAU-NEPJUHHUSA-N -1 0 292.291 2.424 50 5 CEBARM C[C@@H](CN(C)c1cnc([N+](=O)[O-])c([O-])c1)c1nccs1 ZINC000952993554 815092663 /nfs/dbraw/zinc/09/26/63/815092663.db2.gz INSGQLRTFKNQKR-QMMMGPOBSA-N -1 0 294.336 2.392 50 5 CEBARM CCCNc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000004660145 283398620 /nfs/dbraw/zinc/39/86/20/283398620.db2.gz VBIHMHNGTLJZET-UHFFFAOYSA-N -1 0 269.213 2.023 50 5 CEBARM COc1ccc(Oc2ncccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000020031331 361574820 /nfs/dbraw/zinc/57/48/20/361574820.db2.gz VGGHWVWEURGMDG-UHFFFAOYSA-N -1 0 290.231 2.489 50 5 CEBARM Cc1cc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)[O-])n2n1 ZINC000020605026 361583496 /nfs/dbraw/zinc/58/34/96/361583496.db2.gz KYDGXVGBDFBOBF-UHFFFAOYSA-N -1 0 298.258 2.311 50 5 CEBARM CCc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097163946 364471380 /nfs/dbraw/zinc/47/13/80/364471380.db2.gz YPDGOENWNAYNLI-UHFFFAOYSA-N -1 0 291.263 2.412 50 5 CEBARM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccnc1 ZINC000166074889 367318263 /nfs/dbraw/zinc/31/82/63/367318263.db2.gz DKAPLQGPPZVEDK-VIFPVBQESA-N -1 0 287.275 2.438 50 5 CEBARM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000000374055 304244304 /nfs/dbraw/zinc/24/43/04/304244304.db2.gz QBTFAJGZQGYZTH-UHFFFAOYSA-N -1 0 263.205 2.465 50 5 CEBARM O=C([O-])c1nn(C2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000066324291 304285116 /nfs/dbraw/zinc/28/51/16/304285116.db2.gz XFKAVEXMZMQGBI-UHFFFAOYSA-N -1 0 291.307 2.487 50 5 CEBARM O=C([O-])[C@@H](Cc1c[nH]c(=O)s1)c1ccc([N+](=O)[O-])cc1 ZINC000006472521 170203768 /nfs/dbraw/zinc/20/37/68/170203768.db2.gz MPOBYAOOPSNJEI-JTQLQIEISA-N -1 0 294.288 2.168 50 5 CEBARM CC(C)c1n[nH]cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000193926810 528002772 /nfs/dbraw/zinc/00/27/72/528002772.db2.gz XNCNFRNTXOGJAI-UHFFFAOYSA-N -1 0 290.279 2.399 50 5 CEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C(F)F ZINC000036254075 361837027 /nfs/dbraw/zinc/83/70/27/361837027.db2.gz SXWOVOSIKRRAAA-UHFFFAOYSA-N -1 0 298.205 2.144 50 5 CEBARM O=C([O-])c1nn(Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000063121435 362750678 /nfs/dbraw/zinc/75/06/78/362750678.db2.gz GPVCTXNKFJEAKH-UHFFFAOYSA-N -1 0 281.655 2.191 50 5 CEBARM C[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000079482249 363607601 /nfs/dbraw/zinc/60/76/01/363607601.db2.gz RRBMANDZBNJRIZ-CYBMUJFWSA-N -1 0 293.279 2.066 50 5 CEBARM O=c1[nH]c(C=Cc2ccccc2Cl)nc([O-])c1[N+](=O)[O-] ZINC000016449021 361489540 /nfs/dbraw/zinc/48/95/40/361489540.db2.gz DWVMIJUZUVMNNB-WAYWQWQTSA-N -1 0 293.666 2.208 50 5 CEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cncc(F)c1 ZINC000092546084 364080558 /nfs/dbraw/zinc/08/05/58/364080558.db2.gz PPCUHOOCXWERAM-UHFFFAOYSA-N -1 0 277.211 2.087 50 5 CEBARM O=C([O-])Cc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC000096321134 364422052 /nfs/dbraw/zinc/42/20/52/364422052.db2.gz OUWVGTRCXLLTOT-UHFFFAOYSA-N -1 0 278.033 2.124 50 5 CEBARM O=C([O-])c1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000013179356 304225830 /nfs/dbraw/zinc/22/58/30/304225830.db2.gz RPNHCXPJSUGRAB-UHFFFAOYSA-N -1 0 250.254 2.283 50 5 CEBARM O=C([O-])C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000004670096 394456542 /nfs/dbraw/zinc/45/65/42/394456542.db2.gz FJOKSUCZWGKZMG-LLVKDONJSA-N -1 0 290.275 2.493 50 5 CEBARM COc1c(Br)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000020227870 294883475 /nfs/dbraw/zinc/88/34/75/294883475.db2.gz WYCKROZPOJCKCA-UHFFFAOYSA-N -1 0 276.042 2.064 50 5 CEBARM CO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC000155700925 188222358 /nfs/dbraw/zinc/22/23/58/188222358.db2.gz QYBRWLGHUYNFAA-NSHDSACASA-N -1 0 296.323 2.091 50 5 CEBARM O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000670432785 540405592 /nfs/dbraw/zinc/40/55/92/540405592.db2.gz OZJMOZBUXIBEKK-UHFFFAOYSA-N -1 0 298.254 2.097 50 5 CEBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@H]2CC=CC[C@@H]2C1 ZINC000095427102 364372125 /nfs/dbraw/zinc/37/21/25/364372125.db2.gz YSLUJWYSWXSFER-GHMZBOCLSA-N -1 0 288.303 2.339 50 5 CEBARM CO[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC000164842233 367297303 /nfs/dbraw/zinc/29/73/03/367297303.db2.gz GDCFEECHUGKWKK-GFCCVEGCSA-N -1 0 296.323 2.091 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 ZINC000004601233 304227832 /nfs/dbraw/zinc/22/78/32/304227832.db2.gz FAKGGBOEGBVEKE-UHFFFAOYSA-N -1 0 295.251 2.192 50 5 CEBARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000265993 169592032 /nfs/dbraw/zinc/59/20/32/169592032.db2.gz RQDJQZJFPQXPPH-NEPJUHHUSA-N -1 0 290.275 2.200 50 5 CEBARM O=C([O-])c1cccn2c(=O)c3cc(Cl)ccc3nc12 ZINC000035462746 304272176 /nfs/dbraw/zinc/27/21/76/304272176.db2.gz NCYKSKPRVGXUOS-UHFFFAOYSA-N -1 0 274.663 2.199 50 5 CEBARM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000195567515 297688528 /nfs/dbraw/zinc/68/85/28/297688528.db2.gz DDWZEPILIUNTTC-DTWKUNHWSA-N -1 0 264.281 2.171 50 5 CEBARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1[N+](=O)[O-] ZINC000004147865 169938215 /nfs/dbraw/zinc/93/82/15/169938215.db2.gz VISOHNLQTBJSOT-UHFFFAOYSA-N -1 0 293.304 2.099 50 5 CEBARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1 ZINC000007363462 170279298 /nfs/dbraw/zinc/27/92/98/170279298.db2.gz LBWKNAWQXBNLRN-UHFFFAOYSA-N -1 0 293.304 2.099 50 5 CEBARM O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000035310605 172122192 /nfs/dbraw/zinc/12/21/92/172122192.db2.gz BJFVCEVKPBFMFV-UHFFFAOYSA-N -1 0 286.287 2.273 50 5 CEBARM CC(Cl)(Cl)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166095253 344475467 /nfs/dbraw/zinc/47/54/67/344475467.db2.gz NUGFHXOKLUBYHD-UHFFFAOYSA-N -1 0 279.079 2.433 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1cccc(Cl)c1 ZINC000063121442 362750750 /nfs/dbraw/zinc/75/07/50/362750750.db2.gz RZQVCOOEEMGVPC-UHFFFAOYSA-N -1 0 281.655 2.191 50 5 CEBARM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000079029274 363567145 /nfs/dbraw/zinc/56/71/45/363567145.db2.gz DRIFXZWJCSLLEZ-UHFFFAOYSA-N -1 0 293.304 2.099 50 5 CEBARM O=C([O-])CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000312334 361160192 /nfs/dbraw/zinc/16/01/92/361160192.db2.gz XRPUEHHQKFLQSG-UHFFFAOYSA-N -1 0 270.291 2.381 50 5 CEBARM Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1[N+](=O)[O-] ZINC000003832982 361289857 /nfs/dbraw/zinc/28/98/57/361289857.db2.gz RIBQHFLANJJMSC-UHFFFAOYSA-N -1 0 299.333 2.161 50 5 CEBARM O=C([O-])CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003866252 361291943 /nfs/dbraw/zinc/29/19/43/361291943.db2.gz DBPSLLDEGNZGLQ-UHFFFAOYSA-N -1 0 264.159 2.110 50 5 CEBARM O=C([N-]c1nnc(-c2ccco2)o1)c1ccc([N+](=O)[O-])o1 ZINC000004107272 361299731 /nfs/dbraw/zinc/29/97/31/361299731.db2.gz ZCMFVTPQOUSAJV-UHFFFAOYSA-N -1 0 290.191 2.083 50 5 CEBARM CN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000015249998 361467238 /nfs/dbraw/zinc/46/72/38/361467238.db2.gz UIYLBVZOBVSOTP-CQSZACIVSA-N -1 0 299.286 2.497 50 5 CEBARM O=C([O-])c1cnc2c3ccccc3ccc2c1NCCO ZINC000019795495 361555342 /nfs/dbraw/zinc/55/53/42/361555342.db2.gz XXOCULRAIJHYQF-UHFFFAOYSA-N -1 0 282.299 2.490 50 5 CEBARM O=C([O-])[C@@H]1CCCN1Sc1ccccc1[N+](=O)[O-] ZINC000014679714 304115036 /nfs/dbraw/zinc/11/50/36/304115036.db2.gz ZVSQNFDSXRIAHI-VIFPVBQESA-N -1 0 268.294 2.151 50 5 CEBARM CCc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1C ZINC000089280068 288613236 /nfs/dbraw/zinc/61/32/36/288613236.db2.gz PNTDTCKYMBEXRG-UHFFFAOYSA-N -1 0 290.279 2.147 50 5 CEBARM Cc1ccnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000006302712 170189432 /nfs/dbraw/zinc/18/94/32/170189432.db2.gz STHXLHMQCRCYPM-UHFFFAOYSA-N -1 0 293.304 2.099 50 5 CEBARM O=C([O-])c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000059698544 260229112 /nfs/dbraw/zinc/22/91/12/260229112.db2.gz GDBCQTKUSLDFRP-UHFFFAOYSA-N -1 0 251.116 2.192 50 5 CEBARM CC(C)[C@H](Nc1ccc2nsnc2c1[N+](=O)[O-])C(=O)[O-] ZINC000006669792 280336237 /nfs/dbraw/zinc/33/62/37/280336237.db2.gz RMMNDYWCUVJZMN-QMMMGPOBSA-N -1 0 296.308 2.121 50 5 CEBARM Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1Br ZINC000132084048 301154554 /nfs/dbraw/zinc/15/45/54/301154554.db2.gz WYNYRBQJISZOGZ-UHFFFAOYSA-N -1 0 260.043 2.364 50 5 CEBARM O=C([O-])CCc1ccc(Br)cc1[N+](=O)[O-] ZINC000036294384 361840125 /nfs/dbraw/zinc/84/01/25/361840125.db2.gz ZYCLOPCPLDELLP-UHFFFAOYSA-N -1 0 274.070 2.375 50 5 CEBARM O=C([O-])[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccs1 ZINC000004108305 361300600 /nfs/dbraw/zinc/30/06/00/361300600.db2.gz CZMSMTZDYDCQMI-VIFPVBQESA-N -1 0 279.277 2.289 50 5 CEBARM O=C([O-])[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000005581662 304106859 /nfs/dbraw/zinc/10/68/59/304106859.db2.gz DIIOPDWAPOGYKM-NSHDSACASA-N -1 0 250.254 2.038 50 5 CEBARM O=C1N[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000022989697 361591694 /nfs/dbraw/zinc/59/16/94/361591694.db2.gz HAQUUPQMAOAEQR-ZDUSSCGKSA-N -1 0 285.259 2.155 50 5 CEBARM CC1(C)C[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166115468 367318084 /nfs/dbraw/zinc/31/80/84/367318084.db2.gz UBXLBICXIQUIFH-MRVPVSSYSA-N -1 0 250.254 2.285 50 5 CEBARM O=C(NC1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000261493418 190039155 /nfs/dbraw/zinc/03/91/55/190039155.db2.gz AQFRXYMWBIJTAF-UHFFFAOYSA-N -1 0 264.281 2.363 50 5 CEBARM CCN(CC)c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000026508793 284831925 /nfs/dbraw/zinc/83/19/25/284831925.db2.gz PUPGJYMCKJSMEO-UHFFFAOYSA-N -1 0 283.240 2.047 50 5 CEBARM Cc1c(Cl)c([N+](=O)[O-])nn1Cc1cccc(C(=O)[O-])c1 ZINC000000368971 169620197 /nfs/dbraw/zinc/62/01/97/169620197.db2.gz ZDMPBSDOOBUAAU-UHFFFAOYSA-N -1 0 295.682 2.500 50 5 CEBARM O=C([O-])C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000004670095 394457101 /nfs/dbraw/zinc/45/71/01/394457101.db2.gz FJOKSUCZWGKZMG-NSHDSACASA-N -1 0 290.275 2.493 50 5 CEBARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004949462 170044551 /nfs/dbraw/zinc/04/45/51/170044551.db2.gz NQKYLOKLAHZQHV-QMMMGPOBSA-N -1 0 266.253 2.034 50 5 CEBARM O=C(NCCc1cccs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000035334311 172131633 /nfs/dbraw/zinc/13/16/33/172131633.db2.gz KJICQZXKZUGPKU-UHFFFAOYSA-N -1 0 292.316 2.334 50 5 CEBARM Cc1cc2oc(=O)c([N+](=O)[O-])c([O-])c2cc1Cl ZINC000000057900 301464386 /nfs/dbraw/zinc/46/43/86/301464386.db2.gz ARQXTWGOJYMQRC-UHFFFAOYSA-N -1 0 255.613 2.369 50 5 biogenic,in-vitro CEBARM O=C([O-])c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000003880516 169919431 /nfs/dbraw/zinc/91/94/31/169919431.db2.gz NPWJAJJRRULVHY-UHFFFAOYSA-N -1 0 259.221 2.432 50 5 CEBARM CC(=O)Nc1ccc(C(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000005369289 170089847 /nfs/dbraw/zinc/08/98/47/170089847.db2.gz NQZPOLRJLCSBSF-UHFFFAOYSA-N -1 0 280.280 2.306 50 5 CEBARM O=[N+]([O-])c1cc(C(F)(F)F)ccc1[S@@](=O)[O-] ZINC000036533508 361847951 /nfs/dbraw/zinc/84/79/51/361847951.db2.gz SKRWWRQSAMCKMC-UHFFFAOYSA-N -1 0 255.173 2.194 50 5 CEBARM O=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)[n-]1 ZINC000000554718 361187021 /nfs/dbraw/zinc/18/70/21/361187021.db2.gz BBWFTVFLVHVBCD-UHFFFAOYSA-N -1 0 289.294 2.179 50 5 CEBARM O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1[O-] ZINC000004059954 361299397 /nfs/dbraw/zinc/29/93/97/361299397.db2.gz LPIPINHRRHQQMY-UHFFFAOYSA-N -1 0 283.243 2.209 50 5 CEBARM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccnc1 ZINC000119898001 365342128 /nfs/dbraw/zinc/34/21/28/365342128.db2.gz ZUKZKTJMWUVAIA-VIFPVBQESA-N -1 0 287.275 2.186 50 5 CEBARM O=c1[n-]c(SCc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000194638038 370059855 /nfs/dbraw/zinc/05/98/55/370059855.db2.gz JJVZEQKBXLVMPA-UHFFFAOYSA-N -1 0 286.700 2.364 50 5 CEBARM O=C([O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000089064395 304282776 /nfs/dbraw/zinc/28/27/76/304282776.db2.gz FKODWVXNPSOFRQ-UHFFFAOYSA-N -1 0 250.235 2.417 50 5 CEBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000000067942 394448121 /nfs/dbraw/zinc/44/81/21/394448121.db2.gz MLPVALKIJBKOGG-UHFFFAOYSA-N -1 0 278.289 2.396 50 5 CEBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000037226485 173046307 /nfs/dbraw/zinc/04/63/07/173046307.db2.gz PLSRDXYNRAFFIL-UHFFFAOYSA-N -1 0 295.169 2.243 50 5 CEBARM Cc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000095979949 302290488 /nfs/dbraw/zinc/29/04/88/302290488.db2.gz WKIRJEASVJSXLL-UHFFFAOYSA-N -1 0 273.248 2.256 50 5 CEBARM Cc1occc1CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065688432 362843611 /nfs/dbraw/zinc/84/36/11/362843611.db2.gz MHXQARYPJHDIJS-UHFFFAOYSA-N -1 0 290.275 2.474 50 5 CEBARM COC(C)(C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000154745143 188158699 /nfs/dbraw/zinc/15/86/99/188158699.db2.gz AUBGRFQJRLFMLG-SECBINFHSA-N -1 0 296.323 2.234 50 5 CEBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=CC=Cc2ccccc2)[nH]1 ZINC000001748640 361220901 /nfs/dbraw/zinc/22/09/01/361220901.db2.gz WPCJKXZPNGDSQL-KBXRYBNXSA-N -1 0 285.259 2.110 50 5 CEBARM O=[N+]([O-])c1cnc([N-]c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000003880508 361292108 /nfs/dbraw/zinc/29/21/08/361292108.db2.gz SCVFUGNWYODCLM-UHFFFAOYSA-N -1 0 276.208 2.347 50 5 CEBARM C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000003884672 361293424 /nfs/dbraw/zinc/29/34/24/361293424.db2.gz NSZTZQLWLHTSMN-YFKPBYRVSA-N -1 0 278.186 2.499 50 5 CEBARM CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517597 361319433 /nfs/dbraw/zinc/31/94/33/361319433.db2.gz PCZSORDQCDENOD-CPCISQLKSA-N -1 0 297.267 2.414 50 5 CEBARM O=c1[nH]c(C=Cc2ccc(Cl)cc2)nc([O-])c1[N+](=O)[O-] ZINC000015684983 361478426 /nfs/dbraw/zinc/47/84/26/361478426.db2.gz CCXNXJQIFBUHEQ-ZZXKWVIFSA-N -1 0 293.666 2.208 50 5 CEBARM Nc1c([N-]S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000097115111 364457919 /nfs/dbraw/zinc/45/79/19/364457919.db2.gz ZWEJMPLPDAUDOX-UHFFFAOYSA-N -1 0 299.333 2.039 50 5 CEBARM O=C([O-])c1c(F)ccc([N+](=O)[O-])c1Br ZINC000094986216 304217499 /nfs/dbraw/zinc/21/74/99/304217499.db2.gz WOFZANBTJXHQEB-UHFFFAOYSA-N -1 0 264.006 2.195 50 5 CEBARM O=C([O-])c1cc2c3ccccc3ccc2n2nnnc12 ZINC000390834970 304228758 /nfs/dbraw/zinc/22/87/58/304228758.db2.gz YCGGQOCHZGHJBG-UHFFFAOYSA-N -1 0 264.244 2.129 50 5 CEBARM O=C([O-])c1cnn(-c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000012395482 304279986 /nfs/dbraw/zinc/27/99/86/304279986.db2.gz DPDFEZAJYYAQIM-UHFFFAOYSA-N -1 0 267.628 2.132 50 5 CEBARM O=[N+]([O-])c1cncc([N+](=O)[O-])c1[N-]c1nccs1 ZINC000005332439 304812433 /nfs/dbraw/zinc/81/24/33/304812433.db2.gz DUWOYUVOQZMMID-UHFFFAOYSA-N -1 0 267.226 2.098 50 5 CEBARM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nccs1 ZINC000069530684 362976499 /nfs/dbraw/zinc/97/64/99/362976499.db2.gz FWHVAIZQUSJUBE-UHFFFAOYSA-N -1 0 299.333 2.161 50 5 CEBARM O=C([O-])Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000036912301 304090474 /nfs/dbraw/zinc/09/04/74/304090474.db2.gz LLDCXPMGPFNAEQ-UHFFFAOYSA-N -1 0 264.262 2.345 50 5 CEBARM CCCCNc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003877747 361292054 /nfs/dbraw/zinc/29/20/54/361292054.db2.gz MYVYIRGJUFAFHV-UHFFFAOYSA-N -1 0 283.240 2.413 50 5 CEBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000003156637 361265655 /nfs/dbraw/zinc/26/56/55/361265655.db2.gz HIOPSLVWFVXQBR-UHFFFAOYSA-N -1 0 294.288 2.101 50 5 CEBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CC=CC[C@H]2C1 ZINC000095427103 364372328 /nfs/dbraw/zinc/37/23/28/364372328.db2.gz YSLUJWYSWXSFER-QWRGUYRKSA-N -1 0 288.303 2.339 50 5 CEBARM O=C([O-])c1cccn2c(=O)c3ccc(Cl)cc3nc12 ZINC000035462737 304272178 /nfs/dbraw/zinc/27/21/78/304272178.db2.gz LPWBOTBZQROCHC-UHFFFAOYSA-N -1 0 274.663 2.199 50 5 CEBARM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1C ZINC000195567516 296540871 /nfs/dbraw/zinc/54/08/71/296540871.db2.gz DDWZEPILIUNTTC-BDAKNGLRSA-N -1 0 264.281 2.171 50 5 CEBARM CC[C@@H](C)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517599 169976980 /nfs/dbraw/zinc/97/69/80/169976980.db2.gz PCZSORDQCDENOD-RDDDGLTNSA-N -1 0 297.267 2.414 50 5 CEBARM CCn1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(Cl)cc21 ZINC000000494956 288696602 /nfs/dbraw/zinc/69/66/02/288696602.db2.gz NSLLQPWMFULLDU-UHFFFAOYSA-N -1 0 296.666 2.281 50 5 CEBARM CN(Cc1cscn1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097109 321694100 /nfs/dbraw/zinc/69/41/00/321694100.db2.gz FBXRMVHUSGAZLB-UHFFFAOYSA-N -1 0 293.304 2.029 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000095644322 185017295 /nfs/dbraw/zinc/01/72/95/185017295.db2.gz KKHGLYHYTVNDAE-UHFFFAOYSA-N -1 0 251.116 2.192 50 5 CEBARM O=C(NCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000052521553 362471834 /nfs/dbraw/zinc/47/18/34/362471834.db2.gz DBRHRPYVJWBDJS-UHFFFAOYSA-N -1 0 272.260 2.230 50 5 CEBARM CCN(CC)c1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003896788 361293470 /nfs/dbraw/zinc/29/34/70/361293470.db2.gz DMXYGCNTSRXDPP-UHFFFAOYSA-N -1 0 255.230 2.055 50 5 CEBARM CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000013546724 361431068 /nfs/dbraw/zinc/43/10/68/361431068.db2.gz PRWPFGVTIVBEFN-UXBLZVDNSA-N -1 0 294.288 2.357 50 5 CEBARM O=[N+]([O-])c1c([O-])c(Br)cc(F)c1F ZINC000095836323 364393396 /nfs/dbraw/zinc/39/33/96/364393396.db2.gz CGGFDLQNYKVWJN-UHFFFAOYSA-N -1 0 253.986 2.341 50 5 CEBARM CC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000000058218 278242434 /nfs/dbraw/zinc/24/24/34/278242434.db2.gz CLNIBJASCGZXHH-UHFFFAOYSA-N -1 0 260.043 2.266 50 5 CEBARM CN(CC1CCOCC1)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000042783481 362119481 /nfs/dbraw/zinc/11/94/81/362119481.db2.gz PEVYPCWELQHXFK-UHFFFAOYSA-N -1 0 294.307 2.156 50 5 CEBARM C[C@@H](Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000002150510 361229301 /nfs/dbraw/zinc/22/93/01/361229301.db2.gz KVSBVYVACQGKDX-RXMQYKEDSA-N -1 0 272.238 2.068 50 5 CEBARM Cc1nn(Cc2ccc(C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000004206405 361305265 /nfs/dbraw/zinc/30/52/65/361305265.db2.gz YXAVYFPLSDBRDI-UHFFFAOYSA-N -1 0 275.264 2.155 50 5 CEBARM O=C([O-])[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000015443307 304110491 /nfs/dbraw/zinc/11/04/91/304110491.db2.gz PZPJVILOVXYUHU-MRVPVSSYSA-N -1 0 268.244 2.035 50 5 CEBARM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000170599968 367384232 /nfs/dbraw/zinc/38/42/32/367384232.db2.gz NIJCUOWZCXJWNH-NWDGAFQWSA-N -1 0 299.286 2.438 50 5 CEBARM C[C@H](Sc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000008362648 170333489 /nfs/dbraw/zinc/33/34/89/170333489.db2.gz APSFXVNDHQWMPH-LURJTMIESA-N -1 0 295.276 2.210 50 5 CEBARM CC(C)n1c2ccccc2c2oc(=O)cc([O-])c2c1=O ZINC000008773054 170355250 /nfs/dbraw/zinc/35/52/50/170355250.db2.gz PBBMHDQZZBVLCA-UHFFFAOYSA-N -1 0 271.272 2.394 50 5 CEBARM Cc1cc(N2CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000015443726 301332624 /nfs/dbraw/zinc/33/26/24/301332624.db2.gz RBJWQTYDDHKHFU-GFCCVEGCSA-N -1 0 264.281 2.347 50 5 CEBARM O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C=C([O-])c1ccco1 ZINC000109435510 344266714 /nfs/dbraw/zinc/26/67/14/344266714.db2.gz HLAVXPYKCIKVFK-UHFFFAOYSA-N -1 0 299.242 2.262 50 5 CEBARM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccncc2[O-])c1 ZINC000195557074 344521979 /nfs/dbraw/zinc/52/19/79/344521979.db2.gz MKFVWTTZNRLFLA-UHFFFAOYSA-N -1 0 273.248 2.256 50 5 CEBARM CC1(C)S[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H]1C(=O)[O-] ZINC000004343035 361313538 /nfs/dbraw/zinc/31/35/38/361313538.db2.gz XDUYZVGWRAFEKL-UWVGGRQHSA-N -1 0 282.321 2.162 50 5 CEBARM O=C(CC[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089541096 363978013 /nfs/dbraw/zinc/97/80/13/363978013.db2.gz VGQCTXLZQFXUOO-JTQLQIEISA-N -1 0 280.280 2.198 50 5 CEBARM CC[C@H](C)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517602 169976959 /nfs/dbraw/zinc/97/69/59/169976959.db2.gz PCZSORDQCDENOD-WRWORJQWSA-N -1 0 297.267 2.414 50 5 CEBARM O=C([O-])[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000006755127 170240962 /nfs/dbraw/zinc/24/09/62/170240962.db2.gz RBJPJNALMPWTGQ-LBPRGKRZSA-N -1 0 287.275 2.098 50 5 CEBARM CCc1c(C(=O)[O-])cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000020082329 288511714 /nfs/dbraw/zinc/51/17/14/288511714.db2.gz ZGEANWLBDMENLK-UHFFFAOYSA-N -1 0 261.237 2.041 50 5 CEBARM Cn1c(=O)c2c([O-])cc(=O)oc2c2cc(Cl)ccc21 ZINC000006666745 343356892 /nfs/dbraw/zinc/35/68/92/343356892.db2.gz GZRXGIBLXJPTEG-UHFFFAOYSA-N -1 0 277.663 2.004 50 5 CEBARM O=C(NC[C@@H]1Cc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097237022 344243889 /nfs/dbraw/zinc/24/38/89/344243889.db2.gz UUTSPKQXEXTWKR-LBPRGKRZSA-N -1 0 298.298 2.370 50 5 CEBARM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000463827 295831190 /nfs/dbraw/zinc/83/11/90/295831190.db2.gz FCXVVGUGQCTEBB-MRVPVSSYSA-N -1 0 266.253 2.034 50 5 CEBARM Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)[O-])cc1 ZINC000000368983 361166351 /nfs/dbraw/zinc/16/63/51/361166351.db2.gz RPDSHNBIFOPINO-UHFFFAOYSA-N -1 0 295.682 2.500 50 5 CEBARM C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000003884673 361292929 /nfs/dbraw/zinc/29/29/29/361292929.db2.gz NSZTZQLWLHTSMN-RXMQYKEDSA-N -1 0 278.186 2.499 50 5 CEBARM CC(=O)c1cc(N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000004052839 361298739 /nfs/dbraw/zinc/29/87/39/361298739.db2.gz YAVQOGJHEAXYIE-UHFFFAOYSA-N -1 0 292.291 2.098 50 5 CEBARM CCc1onc(C)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000089943913 364021376 /nfs/dbraw/zinc/02/13/76/364021376.db2.gz IAIZIRJEFBRMQA-UHFFFAOYSA-N -1 0 291.263 2.412 50 5 CEBARM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@@H]1C1CC1 ZINC000166176374 367319594 /nfs/dbraw/zinc/31/95/94/367319594.db2.gz IRKIQWDTEWMNJQ-ZJUUUORDSA-N -1 0 262.265 2.285 50 5 CEBARM O=C([O-])COc1ccc2c(c1)oc(=O)c1ccccc12 ZINC000000047689 169516822 /nfs/dbraw/zinc/51/68/22/169516822.db2.gz ZLWOHWRZIZVLTP-UHFFFAOYSA-N -1 0 270.240 2.410 50 5 CEBARM CC(C)(C)c1cc([N+](=O)[O-])c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000007023438 394460707 /nfs/dbraw/zinc/46/07/07/394460707.db2.gz MQVWXWBIULIBPZ-UHFFFAOYSA-N -1 0 268.225 2.499 50 5 CEBARM Cc1c(C(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000014982940 394465540 /nfs/dbraw/zinc/46/55/40/394465540.db2.gz DXUUJILVHXQDCV-UHFFFAOYSA-N -1 0 260.043 2.364 50 5 CEBARM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000003897467 361293173 /nfs/dbraw/zinc/29/31/73/361293173.db2.gz SWSJPCDGJYPPCS-UHFFFAOYSA-N -1 0 278.289 2.396 50 5 CEBARM O=C([O-])[C@@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000015443170 304106748 /nfs/dbraw/zinc/10/67/48/304106748.db2.gz GUTUVBABWQOZBK-JTQLQIEISA-N -1 0 268.244 2.177 50 5 CEBARM CC1(C)S[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1C(=O)[O-] ZINC000000134512 361133584 /nfs/dbraw/zinc/13/35/84/361133584.db2.gz OGHPTFQLKPPMPJ-VHSXEESVSA-N -1 0 282.321 2.162 50 5 CEBARM Cc1ccc(NC(=O)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000002156132 361229140 /nfs/dbraw/zinc/22/91/40/361229140.db2.gz GDRGCHJYNCAHFV-UHFFFAOYSA-N -1 0 266.253 2.097 50 5 CEBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000003832831 361290103 /nfs/dbraw/zinc/29/01/03/361290103.db2.gz FEFUMBFOUOVWMC-UHFFFAOYSA-N -1 0 294.288 2.101 50 5 CEBARM O=C(CC[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089541098 363978051 /nfs/dbraw/zinc/97/80/51/363978051.db2.gz VGQCTXLZQFXUOO-SNVBAGLBSA-N -1 0 280.280 2.198 50 5 CEBARM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517308 394456639 /nfs/dbraw/zinc/45/66/39/394456639.db2.gz AYLCDVYHZOZQKM-SNVBAGLBSA-N -1 0 283.240 2.024 50 5 CEBARM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)no1 ZINC000096427370 394689380 /nfs/dbraw/zinc/68/93/80/394689380.db2.gz UFGSVKCUVAJDJE-UHFFFAOYSA-N -1 0 297.292 2.000 50 5 CEBARM Cc1[n-]n(Cc2csc(C(C)(C)C)n2)c(=O)c1[N+](=O)[O-] ZINC000101775003 400252777 /nfs/dbraw/zinc/25/27/77/400252777.db2.gz QEBCLJCCXWYMIL-UHFFFAOYSA-N -1 0 296.352 2.195 50 5 CEBARM C[C@H](CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071788860 298366698 /nfs/dbraw/zinc/36/66/98/298366698.db2.gz HTOJDLYZMJWENS-MRVPVSSYSA-N -1 0 266.253 2.034 50 5 CEBARM COc1cc(/C=C\C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000096931025 810373002 /nfs/dbraw/zinc/37/30/02/810373002.db2.gz FSJRBVVPAMPCOH-IHWYPQMZSA-N -1 0 289.190 2.303 50 5 CEBARM CCC(CC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000095971392 185048718 /nfs/dbraw/zinc/04/87/18/185048718.db2.gz QXBBUXUDSHSYLO-UHFFFAOYSA-N -1 0 252.270 2.219 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1Cl ZINC000063121444 362750735 /nfs/dbraw/zinc/75/07/35/362750735.db2.gz YWKMXYUCRCECDL-UHFFFAOYSA-N -1 0 299.645 2.330 50 5 CEBARM Cc1ncsc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540869 363977914 /nfs/dbraw/zinc/97/79/14/363977914.db2.gz BRAAPIAHODFDMZ-UHFFFAOYSA-N -1 0 279.277 2.318 50 5 CEBARM O=C(CC1CCOCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531178 363977989 /nfs/dbraw/zinc/97/79/89/363977989.db2.gz FECCNVOENXYWGM-UHFFFAOYSA-N -1 0 280.280 2.056 50 5 CEBARM CCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000007348393 170278970 /nfs/dbraw/zinc/27/89/70/170278970.db2.gz PFCJVNKNYOJDFQ-UHFFFAOYSA-N -1 0 284.322 2.323 50 5 CEBARM CCO[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000032848325 361760697 /nfs/dbraw/zinc/76/06/97/361760697.db2.gz UWEOATDFDLKGND-QMMMGPOBSA-N -1 0 270.310 2.143 50 5 CEBARM O=C([O-])c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000042784058 362120789 /nfs/dbraw/zinc/12/07/89/362120789.db2.gz CWWDIBVRWOXOKK-UHFFFAOYSA-N -1 0 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CC(C)CCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000095409806 364362589 /nfs/dbraw/zinc/36/25/89/364362589.db2.gz TZZIBAJBUPGIET-UHFFFAOYSA-N -1 0 266.297 2.466 50 5 CEBARM O=C([O-])[C@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000015443172 304181148 /nfs/dbraw/zinc/18/11/48/304181148.db2.gz GUTUVBABWQOZBK-SNVBAGLBSA-N -1 0 268.244 2.177 50 5 CEBARM O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000005049597 170061342 /nfs/dbraw/zinc/06/13/42/170061342.db2.gz OEZLVXULIIZGTN-UHFFFAOYSA-N -1 0 272.260 2.482 50 5 CEBARM O=C([O-])c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 ZINC000019845175 170893387 /nfs/dbraw/zinc/89/33/87/170893387.db2.gz ICKPVAKAYFOIHZ-UHFFFAOYSA-N -1 0 273.248 2.300 50 5 CEBARM CC(C)C[C@H](NSc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000028631478 279194352 /nfs/dbraw/zinc/19/43/52/279194352.db2.gz QCVUBDSGNDCAAO-QMMMGPOBSA-N -1 0 285.325 2.086 50 5 CEBARM O=C([O-])CCCNSc1ccccc1[N+](=O)[O-] ZINC000001572173 304051426 /nfs/dbraw/zinc/05/14/26/304051426.db2.gz PKKSMQRFBZWDJP-UHFFFAOYSA-N -1 0 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O=[N+]([O-])c1cc([N+](=O)[O-])c(C(F)(F)F)cc1[O-] ZINC000071778753 304801177 /nfs/dbraw/zinc/80/11/77/304801177.db2.gz XAGKJNHNPNHVCQ-UHFFFAOYSA-N -1 0 252.104 2.227 50 5 CEBARM O=[N+]([O-])c1nc(Br)cc(Br)c1[O-] ZINC000091301674 304812668 /nfs/dbraw/zinc/81/26/68/304812668.db2.gz PAOUQXQZTIDFPZ-UHFFFAOYSA-N -1 0 297.890 2.220 50 5 CEBARM Cc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Br ZINC000216701311 538883453 /nfs/dbraw/zinc/88/34/53/538883453.db2.gz QURYIYPDFSCTCX-UHFFFAOYSA-N -1 0 260.043 2.364 50 5 CEBARM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cocn1 ZINC000095939387 185034901 /nfs/dbraw/zinc/03/49/01/185034901.db2.gz XVFYHCOOHAQINZ-UHFFFAOYSA-N -1 0 283.627 2.194 50 5 CEBARM Cc1ccncc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000096004318 185062163 /nfs/dbraw/zinc/06/21/63/185062163.db2.gz LQKONBNIAXVQMA-UHFFFAOYSA-N -1 0 273.248 2.256 50 5 CEBARM CO[P@@](=O)([O-])Oc1ccc([N+](=O)[O-])cc1Cl ZINC000231479348 344575165 /nfs/dbraw/zinc/57/51/65/344575165.db2.gz LYRFMPQNXLOHHI-UHFFFAOYSA-N -1 0 267.561 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O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cccnc1 ZINC000170599966 344485935 /nfs/dbraw/zinc/48/59/35/344485935.db2.gz NIJCUOWZCXJWNH-RYUDHWBXSA-N -1 0 299.286 2.438 50 5 CEBARM Cc1ccc(-c2cnc(C(=O)[O-])nc2)cc1[N+](=O)[O-] ZINC000675070250 540112243 /nfs/dbraw/zinc/11/22/43/540112243.db2.gz UBYGVOMHDNSNGK-UHFFFAOYSA-N -1 0 259.221 2.058 50 5 CEBARM O=C([O-])/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000002582763 540398962 /nfs/dbraw/zinc/39/89/62/540398962.db2.gz ZVXIUSJYFBEUPM-DAFODLJHSA-N -1 0 259.164 2.294 50 5 CEBARM C[C@@H](CC(=O)[O-])Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000085115 361125007 /nfs/dbraw/zinc/12/50/07/361125007.db2.gz HGBIZBBVSUKDBA-LURJTMIESA-N -1 0 259.645 2.490 50 5 CEBARM O=C([O-])CCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002500769 361236111 /nfs/dbraw/zinc/23/61/11/361236111.db2.gz LQHJILZMMCKEKG-UHFFFAOYSA-N -1 0 295.276 2.008 50 5 CEBARM O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1[O-] ZINC000012617095 361393074 /nfs/dbraw/zinc/39/30/74/361393074.db2.gz FXZGYEWQIGIFMC-UHFFFAOYSA-N -1 0 252.104 2.227 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])c(Br)s1 ZINC000001226985 304227578 /nfs/dbraw/zinc/22/75/78/304227578.db2.gz NTICRYSYQVALQQ-UHFFFAOYSA-N -1 0 252.045 2.117 50 5 CEBARM Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2C(=O)[O-])n1 ZINC000022210244 301235015 /nfs/dbraw/zinc/23/50/15/301235015.db2.gz PVEJKDXNDSBQRS-UHFFFAOYSA-N -1 0 261.237 2.096 50 5 CEBARM O=c1c([O-])cc(Cl)cn1-c1cccc([N+](=O)[O-])c1 ZINC000048533555 343530687 /nfs/dbraw/zinc/53/06/87/343530687.db2.gz LVEKQHBOUUVHPN-UHFFFAOYSA-N -1 0 266.640 2.105 50 5 CEBARM CC1(C)S[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1C(=O)[O-] ZINC000000134506 361133877 /nfs/dbraw/zinc/13/38/77/361133877.db2.gz OGHPTFQLKPPMPJ-NXEZZACHSA-N -1 0 282.321 2.162 50 5 CEBARM Cc1nn(Cc2ccccc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000002507803 361236901 /nfs/dbraw/zinc/23/69/01/361236901.db2.gz JXVWZWVFPOLJOL-UHFFFAOYSA-N -1 0 275.264 2.155 50 5 CEBARM CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517249 361319568 /nfs/dbraw/zinc/31/95/68/361319568.db2.gz WSJNAXWRYWZIBW-SECBINFHSA-N -1 0 283.240 2.168 50 5 CEBARM O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000005347439 361331837 /nfs/dbraw/zinc/33/18/37/361331837.db2.gz RIKMSJBWDDECKT-YPMHNXCESA-N -1 0 276.292 2.211 50 5 CEBARM COC(C)(C)C[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119062088 365208505 /nfs/dbraw/zinc/20/85/05/365208505.db2.gz XVFZQSCYBHRDOQ-VIFPVBQESA-N -1 0 296.323 2.234 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])c(Br)cc1F ZINC000033967240 304227435 /nfs/dbraw/zinc/22/74/35/304227435.db2.gz OGSIBDAVDNXXMS-UHFFFAOYSA-N -1 0 264.006 2.195 50 5 CEBARM Cc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000035390321 172173311 /nfs/dbraw/zinc/17/33/11/172173311.db2.gz FIMQDVIJICYNLE-LLVKDONJSA-N -1 0 294.307 2.132 50 5 CEBARM Cc1nn(C)c(C)c1[N-]c1nc2ccccn2c1[N+](=O)[O-] ZINC000012629212 293720285 /nfs/dbraw/zinc/72/02/85/293720285.db2.gz DUGUQIKABJTTQQ-UHFFFAOYSA-N -1 0 286.295 2.336 50 5 CEBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000095427101 304553923 /nfs/dbraw/zinc/55/39/23/304553923.db2.gz YSLUJWYSWXSFER-PHIMTYICSA-N -1 0 288.303 2.339 50 5 CEBARM O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-] ZINC000005517286 304722125 /nfs/dbraw/zinc/72/21/25/304722125.db2.gz FOKQLZFZMUOLSZ-UHFFFAOYSA-N -1 0 284.227 2.101 50 5 in-vitro CEBARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004592782 304099616 /nfs/dbraw/zinc/09/96/16/304099616.db2.gz JCMZGYFOPVETIT-NWDGAFQWSA-N -1 0 290.275 2.200 50 5 CEBARM O=C([N-]c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])o1 ZINC000004015302 361296936 /nfs/dbraw/zinc/29/69/36/361296936.db2.gz SUVZGFNHMFQZIG-UHFFFAOYSA-N -1 0 277.192 2.348 50 5 CEBARM C[C@@H](Sc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000004343601 361313722 /nfs/dbraw/zinc/31/37/22/361313722.db2.gz NITWPJHQDIGKOS-RXMQYKEDSA-N -1 0 272.238 2.068 50 5 CEBARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004596893 304107111 /nfs/dbraw/zinc/10/71/11/304107111.db2.gz OMUPALOXANKWJW-NWDGAFQWSA-N -1 0 292.291 2.424 50 5 CEBARM Cc1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097306 364447582 /nfs/dbraw/zinc/44/75/82/364447582.db2.gz BGHQXYUNGPOQKL-UHFFFAOYSA-N -1 0 273.248 2.256 50 5 CEBARM O=C(CCC1CCOCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166093951 367318220 /nfs/dbraw/zinc/31/82/20/367318220.db2.gz MQVKEFJPHQYACQ-UHFFFAOYSA-N -1 0 294.307 2.446 50 5 CEBARM O=C([O-])CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000216699477 370190993 /nfs/dbraw/zinc/19/09/93/370190993.db2.gz FLJQZHNYJYSJPI-UHFFFAOYSA-N -1 0 264.159 2.110 50 5 CEBARM O=C([O-])c1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000015443005 304227591 /nfs/dbraw/zinc/22/75/91/304227591.db2.gz XCZRYPKVIJEHSU-UHFFFAOYSA-N -1 0 253.107 2.451 50 5 CEBARM Cc1nn(Cc2ccc(C(=O)[O-])s2)c(C)c1[N+](=O)[O-] ZINC000020312330 171144570 /nfs/dbraw/zinc/14/45/70/171144570.db2.gz BQPIIPUXSIBCOA-UHFFFAOYSA-N -1 0 281.293 2.216 50 5 CEBARM COc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1C(F)(F)F ZINC000040564529 174336681 /nfs/dbraw/zinc/33/66/81/174336681.db2.gz GGDGHKVAGZZOSH-UHFFFAOYSA-N -1 0 279.170 2.249 50 5 CEBARM Cc1cc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC000063110920 301331685 /nfs/dbraw/zinc/33/16/85/301331685.db2.gz OQKAWVCOQOLVAZ-UHFFFAOYSA-N -1 0 282.271 2.343 50 5 CEBARM O=C([O-])/C=C\c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000096835748 810372981 /nfs/dbraw/zinc/37/29/81/810372981.db2.gz ZVXIUSJYFBEUPM-RJRFIUFISA-N -1 0 259.164 2.294 50 5 CEBARM COC(C)(C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000154745032 188159101 /nfs/dbraw/zinc/15/91/01/188159101.db2.gz AUBGRFQJRLFMLG-VIFPVBQESA-N -1 0 296.323 2.234 50 5 CEBARM Cc1nn(Cc2cccc(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000000368468 361166086 /nfs/dbraw/zinc/16/60/86/361166086.db2.gz JJKZCGLFVALIHV-UHFFFAOYSA-N -1 0 275.264 2.155 50 5 CEBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)cc2)[nH]1 ZINC000004322933 361312416 /nfs/dbraw/zinc/31/24/16/361312416.db2.gz KSXHLQMMCZBVIS-ZZXKWVIFSA-N -1 0 293.666 2.208 50 5 CEBARM O=[N+]([O-])c1ccc(O[P@](=O)([O-])c2ccccc2)cc1 ZINC000004352629 361313414 /nfs/dbraw/zinc/31/34/14/361313414.db2.gz NRGZTHQFAQCJCQ-UHFFFAOYSA-N -1 0 279.188 2.485 50 5 in-vitro CEBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)cc2)[nH]1 ZINC000016293368 361485249 /nfs/dbraw/zinc/48/52/49/361485249.db2.gz KSXHLQMMCZBVIS-UTCJRWHESA-N -1 0 293.666 2.208 50 5 CEBARM CCCn1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097226 364447069 /nfs/dbraw/zinc/44/70/69/364447069.db2.gz GDNDPJUTOWMLKZ-UHFFFAOYSA-N -1 0 290.279 2.159 50 5 CEBARM O=C(NCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000261493657 190039902 /nfs/dbraw/zinc/03/99/02/190039902.db2.gz GQMZFTIFJSZLTO-UHFFFAOYSA-N -1 0 272.260 2.230 50 5 CEBARM O=c1oc2cc(OCc3nnn[n-]3)ccc2c2ccccc12 ZINC000006140423 285228533 /nfs/dbraw/zinc/22/85/33/285228533.db2.gz CPARTXROVKGLFD-UHFFFAOYSA-N -1 0 294.270 2.038 50 5 CEBARM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000035390320 172173012 /nfs/dbraw/zinc/17/30/12/172173012.db2.gz FIMQDVIJICYNLE-NSHDSACASA-N -1 0 294.307 2.132 50 5 CEBARM CC(C)(C)c1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000001679576 278556448 /nfs/dbraw/zinc/55/64/48/278556448.db2.gz WHTXLZQPQJAELS-UHFFFAOYSA-N -1 0 268.225 2.499 50 5 CEBARM Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCC(=O)[O-] ZINC000033421296 361779626 /nfs/dbraw/zinc/77/96/26/361779626.db2.gz QJTLWOPRDICLCI-UHFFFAOYSA-N -1 0 266.253 2.097 50 5 CEBARM Cc1occc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097163695 185552427 /nfs/dbraw/zinc/55/24/27/185552427.db2.gz ZORWZLDIRALRSD-UHFFFAOYSA-N -1 0 290.275 2.474 50 5 CEBARM CC[C@@H](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000000554201 361186404 /nfs/dbraw/zinc/18/64/04/361186404.db2.gz DGKTZNFKIYUXOU-VIFPVBQESA-N -1 0 280.280 2.424 50 5 CEBARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004592780 361323115 /nfs/dbraw/zinc/32/31/15/361323115.db2.gz JCMZGYFOPVETIT-RYUDHWBXSA-N -1 0 290.275 2.200 50 5 CEBARM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)sn1 ZINC000170599956 367383980 /nfs/dbraw/zinc/38/39/80/367383980.db2.gz DYNXYLMNFYHNNX-UHFFFAOYSA-N -1 0 279.277 2.318 50 5 CEBARM O=C([O-])c1cc2ccc3ccccc3c2n2nnnc12 ZINC000526059764 379697697 /nfs/dbraw/zinc/69/76/97/379697697.db2.gz SZCOJSAYHQLVGG-UHFFFAOYSA-N -1 0 264.244 2.129 50 5 CEBARM CC[C@@H](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000004918843 170041318 /nfs/dbraw/zinc/04/13/18/170041318.db2.gz GRWPYFLGAQXKGF-VIFPVBQESA-N -1 0 280.280 2.424 50 5 CEBARM O=C([O-])C1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000006661482 170223671 /nfs/dbraw/zinc/22/36/71/170223671.db2.gz OEIYHUSVJULXIR-UHFFFAOYSA-N -1 0 279.296 2.293 50 5 CEBARM O=C([O-])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000036912302 172799528 /nfs/dbraw/zinc/79/95/28/172799528.db2.gz OJZLDZSRCQQYFU-UHFFFAOYSA-N -1 0 264.262 2.345 50 5 CEBARM O=c1c2cc([N+](=O)[O-])ccc2nc2[n-]cc([N+](=O)[O-])cc1-2 ZINC000004552329 280371872 /nfs/dbraw/zinc/37/18/72/280371872.db2.gz UCLSXTWAAIJHMP-UHFFFAOYSA-N -1 0 286.203 2.305 50 5 CEBARM Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)[O-] ZINC000002508405 302685455 /nfs/dbraw/zinc/68/54/55/302685455.db2.gz MDNKRBLHTVPEHZ-UHFFFAOYSA-N -1 0 273.219 2.487 50 5 CEBARM