smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000236670637 939044478 /nfs/dbraw/zinc/04/44/78/939044478.db2.gz NXBLQCOBWTUNNX-LJQANCHMSA-N -1 0 397.431 3.387 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)cc2[N+](=O)[O-])C1 ZINC000237713283 939048260 /nfs/dbraw/zinc/04/82/60/939048260.db2.gz DEBHEFPDEADFHN-KBPBESRZSA-N -1 0 389.452 3.204 20 5 GGBDRM O=C([O-])[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000238037938 939055810 /nfs/dbraw/zinc/05/58/10/939055810.db2.gz VFLHYSUBILJBJH-OAHLLOKOSA-N -1 0 383.385 3.274 20 5 GGBDRM CCO[C@H]1C[C@@](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000262815638 939074331 /nfs/dbraw/zinc/07/43/31/939074331.db2.gz OUWJLDYGOHFDJQ-MGPUTAFESA-N -1 0 392.452 3.281 20 5 GGBDRM CCO[C@@H]1C[C@](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)(C(=O)[O-])C1(C)C ZINC000262832242 939076088 /nfs/dbraw/zinc/07/60/88/939076088.db2.gz RSLVODXPTVXWKW-KDOFPFPSSA-N -1 0 392.433 3.198 20 5 GGBDRM COc1ccc([C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F ZINC000263089521 939099036 /nfs/dbraw/zinc/09/90/36/939099036.db2.gz QJZCEZBCHINADV-QGZVFWFLSA-N -1 0 390.367 3.422 20 5 GGBDRM Cc1cc([C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC000263093958 939099633 /nfs/dbraw/zinc/09/96/33/939099633.db2.gz QQJZTBMSQTTZLF-QGZVFWFLSA-N -1 0 387.367 3.172 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000263162123 939105488 /nfs/dbraw/zinc/10/54/88/939105488.db2.gz VOEAMQALOYPPRH-LJQANCHMSA-N -1 0 397.431 3.368 20 5 GGBDRM C[C@@](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC000263238304 939111659 /nfs/dbraw/zinc/11/16/59/939111659.db2.gz SYUMEYUWYRYEJM-IBGZPJMESA-N -1 0 389.383 3.042 20 5 GGBDRM C[C@](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(F)cc1 ZINC000263260479 939112076 /nfs/dbraw/zinc/11/20/76/939112076.db2.gz WIAWUKXXQKDIKA-LJQANCHMSA-N -1 0 387.367 3.038 20 5 GGBDRM C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000426725469 939145384 /nfs/dbraw/zinc/14/53/84/939145384.db2.gz ZEQBUJWGZCXFCT-KUHUBIRLSA-N -1 0 397.431 3.387 20 5 GGBDRM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000797706197 939163696 /nfs/dbraw/zinc/16/36/96/939163696.db2.gz NWKQXUKZJLQRSE-GOSISDBHSA-N -1 0 379.372 3.373 20 5 GGBDRM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000797710362 939169018 /nfs/dbraw/zinc/16/90/18/939169018.db2.gz BKWUWVHXPHJSHY-RFAUZJTJSA-N -1 0 379.319 3.059 20 5 GGBDRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000431890894 939170364 /nfs/dbraw/zinc/17/03/64/939170364.db2.gz UPCCYXHGRKNCFL-SFHVURJKSA-N -1 0 380.356 3.312 20 5 GGBDRM O=C([O-])[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000797712068 939170488 /nfs/dbraw/zinc/17/04/88/939170488.db2.gz UFTZYJKVMAIKKT-LJQANCHMSA-N -1 0 393.399 3.416 20 5 GGBDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000439922774 939203421 /nfs/dbraw/zinc/20/34/21/939203421.db2.gz QEEHICWUEYPMOA-AWEZNQCLSA-N -1 0 380.303 3.060 20 5 GGBDRM CC[C@](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507309663 939233440 /nfs/dbraw/zinc/23/34/40/939233440.db2.gz PYXTXUXWGHCVPB-GOSISDBHSA-N -1 0 392.795 3.377 20 5 GGBDRM O=C([O-])[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000514647526 939237036 /nfs/dbraw/zinc/23/70/36/939237036.db2.gz OIAKLZDFPYTJMZ-GOSISDBHSA-N -1 0 379.372 3.373 20 5 GGBDRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000864174102 939255032 /nfs/dbraw/zinc/25/50/32/939255032.db2.gz DBSZRJRMMRMUDZ-RBZFPXEDSA-N -1 0 388.395 3.419 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000533184131 939264776 /nfs/dbraw/zinc/26/47/76/939264776.db2.gz MQJHYRRJJIFYQV-ZDUSSCGKSA-N -1 0 398.419 3.290 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000538504349 939276490 /nfs/dbraw/zinc/27/64/90/939276490.db2.gz QCXPKHKDDZEMNC-UHFFFAOYSA-N -1 0 382.416 3.244 20 5 GGBDRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC000563422246 939338661 /nfs/dbraw/zinc/33/86/61/939338661.db2.gz FCURZERMBHKCIP-MRRJBJDNSA-N -1 0 378.425 3.106 20 5 GGBDRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000571242245 939390079 /nfs/dbraw/zinc/39/00/79/939390079.db2.gz NPNSRAFFAMETDI-CQSZACIVSA-N -1 0 395.318 3.452 20 5 GGBDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC000578522110 939755103 /nfs/dbraw/zinc/75/51/03/939755103.db2.gz AWUANTIEWUEXLL-QEORTHHSSA-N -1 0 392.452 3.281 20 5 GGBDRM COc1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])cc1F ZINC000579188452 939760124 /nfs/dbraw/zinc/76/01/24/939760124.db2.gz DCDKQLNHLIQRKR-CQSZACIVSA-N -1 0 397.746 3.343 20 5 GGBDRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])C1 ZINC000580777327 939773954 /nfs/dbraw/zinc/77/39/54/939773954.db2.gz PXOZYYCHMPCJNS-GLXFQSAKSA-N -1 0 385.804 3.028 20 5 GGBDRM CC[C@@](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000584401492 939797720 /nfs/dbraw/zinc/79/77/20/939797720.db2.gz CPXAOZPTOYDWTG-SFHVURJKSA-N -1 0 391.811 3.410 20 5 GGBDRM CCOc1cccc(CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600873252 939804229 /nfs/dbraw/zinc/80/42/29/939804229.db2.gz FFTMCUGTCNMEFO-HXUWFJFHSA-N -1 0 386.404 3.042 20 5 GGBDRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872264 939804373 /nfs/dbraw/zinc/80/43/73/939804373.db2.gz DTQDVSLEARLGMI-RNODOKPDSA-N -1 0 388.395 3.419 20 5 GGBDRM C[C@@](NC(=O)[C@@H]1SCCc2sccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874577 939804643 /nfs/dbraw/zinc/80/46/43/939804643.db2.gz JNRKQZCDZRNXLX-PBHICJAKSA-N -1 0 392.458 3.103 20 5 GGBDRM C[C@H](SCc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873940 939804646 /nfs/dbraw/zinc/80/46/46/939804646.db2.gz HJZOTPQSGDQPSK-ORAYPTAESA-N -1 0 388.445 3.333 20 5 GGBDRM C[C@](NC(=O)[C@@H]1SCCc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876242 939805488 /nfs/dbraw/zinc/80/54/88/939805488.db2.gz ORUTYFKPKVKSDD-VQIMIIECSA-N -1 0 386.429 3.041 20 5 GGBDRM CC(C)c1cccc(OCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600876259 939805573 /nfs/dbraw/zinc/80/55/73/939805573.db2.gz OZOKQGLRMHIGHI-HXUWFJFHSA-N -1 0 386.404 3.213 20 5 GGBDRM C[C@](NC(=O)CCCOc1ccc(F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879831 939806303 /nfs/dbraw/zinc/80/63/03/939806303.db2.gz XCNXTXPGLXWRLE-LJQANCHMSA-N -1 0 390.367 3.009 20 5 GGBDRM C[C@@](NC(=O)CCCOc1ccc(F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879830 939806535 /nfs/dbraw/zinc/80/65/35/939806535.db2.gz XCNXTXPGLXWRLE-IBGZPJMESA-N -1 0 390.367 3.009 20 5 GGBDRM Cc1ccc(OCCCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600880330 939806730 /nfs/dbraw/zinc/80/67/30/939806730.db2.gz ZETPZSULTWQLDA-HXUWFJFHSA-N -1 0 386.404 3.178 20 5 GGBDRM C[C@](NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881236 939806874 /nfs/dbraw/zinc/80/68/74/939806874.db2.gz OKTOGXQLBYERQV-XKQJLSEDSA-N -1 0 382.363 3.226 20 5 GGBDRM C[C@@](NC(=O)C[C@@H]1CCc2ccccc2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880221 939806963 /nfs/dbraw/zinc/80/69/63/939806963.db2.gz YPULYPUEADAYHG-SZNDQCEHSA-N -1 0 382.416 3.206 20 5 GGBDRM COc1ccc2c(c1)[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)CCC2 ZINC000600883527 939807150 /nfs/dbraw/zinc/80/71/50/939807150.db2.gz YWKNVNBZIZDAJS-UTKZUKDTSA-N -1 0 398.415 3.140 20 5 GGBDRM C[C@@](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882644 939807323 /nfs/dbraw/zinc/80/73/23/939807323.db2.gz UHTNSAREFZRETF-IERDGZPVSA-N -1 0 398.415 3.219 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000610846108 939807766 /nfs/dbraw/zinc/80/77/66/939807766.db2.gz KMEASIPOFBSTEW-BUXKBTBVSA-N -1 0 386.429 3.118 20 5 GGBDRM C[C@](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000617703015 939809172 /nfs/dbraw/zinc/80/91/72/939809172.db2.gz XXSJZZBTWZBVEX-QGZVFWFLSA-N -1 0 394.836 3.457 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F ZINC000617728036 939809667 /nfs/dbraw/zinc/80/96/67/939809667.db2.gz XQYUDPYMMLRKMI-HNNXBMFYSA-N -1 0 398.799 3.422 20 5 GGBDRM Cc1ccc([C@H](C)NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1[N+](=O)[O-] ZINC000619543728 939810352 /nfs/dbraw/zinc/81/03/52/939810352.db2.gz MCMHDANSSAAMFR-RBZFPXEDSA-N -1 0 383.404 3.190 20 5 GGBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001601349017 970979835 /nfs/dbraw/zinc/97/98/35/970979835.db2.gz DGFFWHMZQAVOSV-UHFFFAOYSA-N -1 0 394.430 3.158 20 5 GGBDRM O=C([O-])CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC001602043838 971129790 /nfs/dbraw/zinc/12/97/90/971129790.db2.gz KMZSDUINGLVXJJ-UHFFFAOYSA-N -1 0 380.303 3.466 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589561315 948812780 /nfs/dbraw/zinc/81/27/80/948812780.db2.gz QTUFCFCNVZFYQR-IERDGZPVSA-N -1 0 384.432 3.322 20 5 GGBDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001589597640 949174447 /nfs/dbraw/zinc/17/44/47/949174447.db2.gz MMPMZVAQEBBQKX-MRXNPFEDSA-N -1 0 387.339 3.305 20 5 GGBDRM Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000378179122 971566799 /nfs/dbraw/zinc/56/67/99/971566799.db2.gz DZMRVTZTMIHQOQ-UHFFFAOYSA-N -1 0 396.399 3.337 20 5 GGBDRM O=C([O-])c1ccc(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])nc1 ZINC001595224241 949276625 /nfs/dbraw/zinc/27/66/25/949276625.db2.gz XFXQXSYLYQKXML-QGZVFWFLSA-N -1 0 379.328 3.029 20 5 GGBDRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001595239310 949438062 /nfs/dbraw/zinc/43/80/62/949438062.db2.gz SEWQGASLOAURSO-UHFFFAOYSA-N -1 0 392.371 3.072 20 5 GGBDRM CC[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2C(=O)[O-])C1 ZINC001589623574 949447403 /nfs/dbraw/zinc/44/74/03/949447403.db2.gz VQDDXXVMIJUYGS-VIFPVBQESA-N -1 0 377.422 3.460 20 5 GGBDRM O=C([O-])c1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001595260949 949662297 /nfs/dbraw/zinc/66/22/97/949662297.db2.gz WOIOWLIELKXRDA-UHFFFAOYSA-N -1 0 392.172 3.368 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2[N+](=O)[O-])C1 ZINC000237712798 949976342 /nfs/dbraw/zinc/97/63/42/949976342.db2.gz VOZUSYDEJAJGKM-OFQRWUPVSA-N -1 0 389.452 3.014 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000262165250 950076068 /nfs/dbraw/zinc/07/60/68/950076068.db2.gz PXPMCRBYPFNBQK-VBQJREDUSA-N -1 0 389.452 3.156 20 5 GGBDRM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000262169989 950077949 /nfs/dbraw/zinc/07/79/49/950077949.db2.gz LGNSPFVQRKHBGK-KRWDZBQOSA-N -1 0 395.415 3.019 20 5 GGBDRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C1CC1 ZINC000262247807 950097267 /nfs/dbraw/zinc/09/72/67/950097267.db2.gz YYYXBPQZMVHNOB-HZSPNIEDSA-N -1 0 389.452 3.155 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000263078258 950249807 /nfs/dbraw/zinc/24/98/07/950249807.db2.gz BBGVDVVNUFJLSE-GDBMZVCRSA-N -1 0 389.452 3.156 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263188040 950316763 /nfs/dbraw/zinc/31/67/63/950316763.db2.gz SIEUWLKLUDRRLV-AAEUAGOBSA-N -1 0 384.816 3.261 20 5 GGBDRM O=C([O-])C1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000263267133 950345477 /nfs/dbraw/zinc/34/54/77/950345477.db2.gz NZNSPYAVAAMZDS-UHFFFAOYSA-N -1 0 386.354 3.309 20 5 GGBDRM 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ZINC001574807170 957859977 /nfs/dbraw/zinc/85/99/77/957859977.db2.gz GGFCRZQHRCIABH-ZDUSSCGKSA-N -1 0 386.257 3.466 20 5 GGBDRM O=C([O-])c1cncc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC001574819077 957899338 /nfs/dbraw/zinc/89/93/38/957899338.db2.gz WVRWTKKFIWBJIR-UHFFFAOYSA-N -1 0 395.321 3.305 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001594307312 957979665 /nfs/dbraw/zinc/97/96/65/957979665.db2.gz JWMXTQBFOZQZFI-NSHDSACASA-N -1 0 392.861 3.114 20 5 GGBDRM Cc1cc(OCC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001594328708 958198083 /nfs/dbraw/zinc/19/80/83/958198083.db2.gz YHBBSXHCMBVMKC-HNNXBMFYSA-N -1 0 398.415 3.352 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1F ZINC001594329445 958203885 /nfs/dbraw/zinc/20/38/85/958203885.db2.gz AACSILUHVGJOOU-UHFFFAOYSA-N -1 0 380.353 3.127 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1F ZINC001594329885 958208978 /nfs/dbraw/zinc/20/89/78/958208978.db2.gz SHUUWTCQYMHRGK-GFCCVEGCSA-N -1 0 376.315 3.006 20 5 GGBDRM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001594331414 958225718 /nfs/dbraw/zinc/22/57/18/958225718.db2.gz DZAPMEBSKTZBGR-UHFFFAOYSA-N -1 0 380.360 3.099 20 5 GGBDRM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001594331726 958232733 /nfs/dbraw/zinc/23/27/33/958232733.db2.gz ZJNDFGJSFARFLO-UHFFFAOYSA-N -1 0 395.371 3.203 20 5 GGBDRM O=C([O-])c1cc(Br)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000096506032 958337516 /nfs/dbraw/zinc/33/75/16/958337516.db2.gz RLMWBJZJGOBSRC-UHFFFAOYSA-N -1 0 379.166 3.237 20 5 GGBDRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)c1ccc([N+](=O)[O-])cc1F ZINC001573362644 958599942 /nfs/dbraw/zinc/59/99/42/958599942.db2.gz FLKMIEDQIRFQCO-QMMMGPOBSA-N -1 0 394.380 3.309 20 5 GGBDRM Cc1ccc([C@H](C)OC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594377627 958606727 /nfs/dbraw/zinc/60/67/27/958606727.db2.gz HEAALZYUJFBLCJ-UGSOOPFHSA-N -1 0 397.387 3.227 20 5 GGBDRM CC(C)(C)CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001573395361 958714082 /nfs/dbraw/zinc/71/40/82/958714082.db2.gz LIOFJKBNLNBFKD-GFCCVEGCSA-N -1 0 387.230 3.367 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594393023 958748907 /nfs/dbraw/zinc/74/89/07/958748907.db2.gz LFXCPIBYURSWMY-CQSZACIVSA-N -1 0 393.193 3.221 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C(=O)[O-])c1 ZINC001594394861 958760304 /nfs/dbraw/zinc/76/03/04/958760304.db2.gz WEAGYRGOELMGMM-CQSZACIVSA-N -1 0 380.303 3.060 20 5 GGBDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573423845 958783094 /nfs/dbraw/zinc/78/30/94/958783094.db2.gz BLEOKQUYTFOGNX-LLVKDONJSA-N -1 0 387.230 3.367 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239671 972382037 /nfs/dbraw/zinc/38/20/37/972382037.db2.gz WGAIEQLLNUNLJT-DVVUODLYSA-N -1 0 386.351 3.061 20 5 GGBDRM C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001588550672 959011899 /nfs/dbraw/zinc/01/18/99/959011899.db2.gz APJKWOZKEQLAJA-OAUYIBNBSA-N -1 0 386.379 3.164 20 5 GGBDRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccccc21 ZINC001605744506 972393854 /nfs/dbraw/zinc/39/38/54/972393854.db2.gz UYKYMHPJVYXUAG-HOTGVXAUSA-N -1 0 377.356 3.186 20 5 GGBDRM CC(C)C[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573539710 959188149 /nfs/dbraw/zinc/18/81/49/959188149.db2.gz WEEJWPSYZNMRPS-LZWOXQAQSA-N -1 0 391.468 3.306 20 5 GGBDRM C[C@@](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001573599387 959419665 /nfs/dbraw/zinc/41/96/65/959419665.db2.gz CULXRTASKBNSEK-SFHVURJKSA-N -1 0 391.811 3.090 20 5 GGBDRM C[C@@](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001573616380 959494817 /nfs/dbraw/zinc/49/48/17/959494817.db2.gz LTFAMMDJHZNPMT-KRWDZBQOSA-N -1 0 380.759 3.046 20 5 GGBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573622039 959516451 /nfs/dbraw/zinc/51/64/51/959516451.db2.gz COKACXQUCNYOBS-KPXOXKRLSA-N -1 0 386.351 3.061 20 5 GGBDRM C[C@@H](Cc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000191423538 959566400 /nfs/dbraw/zinc/56/64/00/959566400.db2.gz AWNXNVYZMDIZMB-ZDUSSCGKSA-N -1 0 394.387 3.296 20 5 GGBDRM C[C@H](Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1)C(=O)[O-] ZINC000191431952 959567927 /nfs/dbraw/zinc/56/79/27/959567927.db2.gz BIJDZJVSZXJBOS-CYBMUJFWSA-N -1 0 394.387 3.296 20 5 GGBDRM C[C@@H](Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1)C(=O)[O-] ZINC000191431933 959568195 /nfs/dbraw/zinc/56/81/95/959568195.db2.gz BIJDZJVSZXJBOS-ZDUSSCGKSA-N -1 0 394.387 3.296 20 5 GGBDRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000191541779 959581498 /nfs/dbraw/zinc/58/14/98/959581498.db2.gz DMZLSWXABPLJFS-INIZCTEOSA-N -1 0 395.415 3.211 20 5 GGBDRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191542114 959581594 /nfs/dbraw/zinc/58/15/94/959581594.db2.gz FPPURGLEWBSWJE-OAHLLOKOSA-N -1 0 390.823 3.383 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594251983 959615587 /nfs/dbraw/zinc/61/55/87/959615587.db2.gz CUUCNPJYEDQRGV-UHFFFAOYSA-N -1 0 380.154 3.011 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001594252180 959619204 /nfs/dbraw/zinc/61/92/04/959619204.db2.gz KGOHGPXIACNADU-UHFFFAOYSA-N -1 0 382.170 3.222 20 5 GGBDRM O=C([O-])c1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1Cl ZINC000194062316 959621134 /nfs/dbraw/zinc/62/11/34/959621134.db2.gz VQHABGIPFPOTCM-UHFFFAOYSA-N -1 0 386.751 3.384 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594252461 959621867 /nfs/dbraw/zinc/62/18/67/959621867.db2.gz SZLFHWYWYHSGDJ-UHFFFAOYSA-N -1 0 393.193 3.294 20 5 GGBDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001573667946 959713506 /nfs/dbraw/zinc/71/35/06/959713506.db2.gz NVMVGSDVPQQBPG-QGZVFWFLSA-N -1 0 376.390 3.262 20 5 GGBDRM Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001594264240 959729461 /nfs/dbraw/zinc/72/94/61/959729461.db2.gz FRQCJYYCOWLSOT-KCJUWKMLSA-N -1 0 389.330 3.497 20 5 GGBDRM Cc1c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001594264242 959729613 /nfs/dbraw/zinc/72/96/13/959729613.db2.gz FRQCJYYCOWLSOT-LDYMZIIASA-N -1 0 389.330 3.497 20 5 GGBDRM Cc1c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001594264273 959731188 /nfs/dbraw/zinc/73/11/88/959731188.db2.gz GYLUWBSZTDCULF-KCJUWKMLSA-N -1 0 389.330 3.497 20 5 GGBDRM Cc1c(Br)c(N[C@@H](Cc2ccccc2)C(=O)[O-])ncc1[N+](=O)[O-] ZINC001594267831 959756737 /nfs/dbraw/zinc/75/67/37/959756737.db2.gz MJPMDYJZAUPXCL-NSHDSACASA-N -1 0 380.198 3.169 20 5 GGBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001573710553 959846453 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KORCJQAQCBATON-JTQLQIEISA-N -1 0 390.417 3.497 20 5 GGBDRM O=C([O-])c1cccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001605800767 972515576 /nfs/dbraw/zinc/51/55/76/972515576.db2.gz LCWGCDNPPRPPCG-UHFFFAOYSA-N -1 0 397.309 3.311 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001574298578 960715102 /nfs/dbraw/zinc/71/51/02/960715102.db2.gz HBLDZCABQMWKCP-AWEZNQCLSA-N -1 0 393.193 3.221 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001574299093 960720808 /nfs/dbraw/zinc/72/08/08/960720808.db2.gz XGRXIWAPTKIJAH-UHFFFAOYSA-N -1 0 387.230 3.239 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001574321722 960825959 /nfs/dbraw/zinc/82/59/59/960825959.db2.gz CSXVRRQGXYWSRG-UHFFFAOYSA-N -1 0 376.390 3.296 20 5 GGBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237027791 960842274 /nfs/dbraw/zinc/84/22/74/960842274.db2.gz PHLJTTWGGQEJBQ-DYVFJYSZSA-N -1 0 377.441 3.060 20 5 GGBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000237062596 960860064 /nfs/dbraw/zinc/86/00/64/960860064.db2.gz JBHMAGHQKVZOOR-QLFBSQMISA-N -1 0 391.468 3.402 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001574330551 960879729 /nfs/dbraw/zinc/87/97/29/960879729.db2.gz ZNYCAGXRIINFRJ-UHFFFAOYSA-N -1 0 390.845 3.013 20 5 GGBDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237468775 960941439 /nfs/dbraw/zinc/94/14/39/960941439.db2.gz XOLAZZMNBGYBNI-NSHDSACASA-N -1 0 391.811 3.453 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001319846802 960960266 /nfs/dbraw/zinc/96/02/66/960960266.db2.gz XKKUAIAPIBBKMU-UHFFFAOYSA-N -1 0 375.406 3.207 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCCCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237561462 960962206 /nfs/dbraw/zinc/96/22/06/960962206.db2.gz MMDIABTVQQDDMY-HUUCEWRRSA-N -1 0 391.468 3.452 20 5 GGBDRM Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000237640600 960980808 /nfs/dbraw/zinc/98/08/08/960980808.db2.gz VDCOZUAGIXMKKC-UHFFFAOYSA-N -1 0 394.387 3.407 20 5 GGBDRM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000238022661 961078967 /nfs/dbraw/zinc/07/89/67/961078967.db2.gz BNFNFBRDCISYEP-GFCCVEGCSA-N -1 0 389.433 3.435 20 5 GGBDRM CCCN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001573849012 961118555 /nfs/dbraw/zinc/11/85/55/961118555.db2.gz ZLJNLYLLOGHQRB-SFHVURJKSA-N -1 0 396.403 3.057 20 5 GGBDRM Cc1cc(N2CCC(O)(Cc3ccccc3F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001326694703 961119637 /nfs/dbraw/zinc/11/96/37/961119637.db2.gz XCWRWZLICOFIPA-UHFFFAOYSA-N -1 0 388.395 3.315 20 5 GGBDRM O=C([O-])c1cc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc([N+](=O)[O-])c1 ZINC000238158690 961136396 /nfs/dbraw/zinc/13/63/96/961136396.db2.gz GGYCZQHCLGQOEY-UHFFFAOYSA-N -1 0 376.315 3.376 20 5 GGBDRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000238219324 961163833 /nfs/dbraw/zinc/16/38/33/961163833.db2.gz PQMSBQHWAQIUFB-OAHLLOKOSA-N -1 0 387.779 3.155 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C(=O)[O-])c1 ZINC001574393047 961196831 /nfs/dbraw/zinc/19/68/31/961196831.db2.gz ZRFVDLQMKHYNOW-CQSZACIVSA-N -1 0 382.294 3.478 20 5 GGBDRM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000261632709 961384990 /nfs/dbraw/zinc/38/49/90/961384990.db2.gz AZZGKNLNWZTMOJ-GFCCVEGCSA-N -1 0 399.403 3.208 20 5 GGBDRM Cc1sc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC001574446734 961454902 /nfs/dbraw/zinc/45/49/02/961454902.db2.gz XYKQPRIFSYQHJI-NWDGAFQWSA-N -1 0 375.406 3.466 20 5 GGBDRM Cc1cc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C)c1OCC(=O)[O-] ZINC000262123221 961477912 /nfs/dbraw/zinc/47/79/12/961477912.db2.gz GPCGALCGHFAVHO-UHFFFAOYSA-N -1 0 398.415 3.480 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000262121990 961478406 /nfs/dbraw/zinc/47/84/06/961478406.db2.gz LKQLKRDTGIORCB-UHFFFAOYSA-N -1 0 398.415 3.157 20 5 GGBDRM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001574456431 961515052 /nfs/dbraw/zinc/51/50/52/961515052.db2.gz IRRVALSKPGMLGW-UHFFFAOYSA-N -1 0 377.422 3.460 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262171793 961520622 /nfs/dbraw/zinc/52/06/22/961520622.db2.gz LLOPOBSAQVYHJT-YVEFUNNKSA-N -1 0 386.429 3.286 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262171785 961520750 /nfs/dbraw/zinc/52/07/50/961520750.db2.gz LLOPOBSAQVYHJT-SJCJKPOMSA-N -1 0 386.429 3.286 20 5 GGBDRM CC(C)[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588821695 961631857 /nfs/dbraw/zinc/63/18/57/961631857.db2.gz VGNOSMDIUJVXSM-JTQLQIEISA-N -1 0 394.371 3.179 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1OC ZINC000262349872 961661436 /nfs/dbraw/zinc/66/14/36/961661436.db2.gz DZQTXMBFTJOMAV-UHFFFAOYSA-N -1 0 388.376 3.272 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000262455724 961729966 /nfs/dbraw/zinc/72/99/66/961729966.db2.gz XBSYQZHSZAHXAH-PXAZEXFGSA-N -1 0 386.429 3.114 20 5 GGBDRM Cc1oc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000262475317 961740625 /nfs/dbraw/zinc/74/06/25/961740625.db2.gz JVXZJGLADSPJRB-UHFFFAOYSA-N -1 0 387.392 3.067 20 5 GGBDRM CC(C)C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262487855 961746966 /nfs/dbraw/zinc/74/69/66/961746966.db2.gz LOENSZJFELYXAA-SNVBAGLBSA-N -1 0 392.330 3.013 20 5 GGBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000262706859 961816807 /nfs/dbraw/zinc/81/68/07/961816807.db2.gz JWWHLZFWNVFQID-SKDRFNHKSA-N -1 0 386.354 3.355 20 5 GGBDRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262726286 961830432 /nfs/dbraw/zinc/83/04/32/961830432.db2.gz GPVKEHAAXBCIIR-HNNXBMFYSA-N -1 0 388.445 3.279 20 5 GGBDRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000262726287 961830483 /nfs/dbraw/zinc/83/04/83/961830483.db2.gz GPVKEHAAXBCIIR-OAHLLOKOSA-N -1 0 388.445 3.279 20 5 GGBDRM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC001574527305 961891490 /nfs/dbraw/zinc/89/14/90/961891490.db2.gz UHXFEHOSUDQGIT-ZDUSSCGKSA-N -1 0 389.795 3.265 20 5 GGBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262849752 961916021 /nfs/dbraw/zinc/91/60/21/961916021.db2.gz DNJNTYQQZGOXHF-LNSITVRQSA-N -1 0 387.417 3.044 20 5 GGBDRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)n1CC1CC1 ZINC001335431380 961927126 /nfs/dbraw/zinc/92/71/26/961927126.db2.gz IYMBGZZGTOCRQW-FQEVSTJZSA-N -1 0 385.420 3.153 20 5 GGBDRM COc1cc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262900118 961977378 /nfs/dbraw/zinc/97/73/78/961977378.db2.gz CVRDTVMYSYZYIV-RHSMWYFYSA-N -1 0 398.415 3.297 20 5 GGBDRM CCOc1ccc(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000262936998 962021000 /nfs/dbraw/zinc/02/10/00/962021000.db2.gz GXNPKUNCMUWJLI-FQEVSTJZSA-N -1 0 386.404 3.156 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000262949774 962034842 /nfs/dbraw/zinc/03/48/42/962034842.db2.gz IIKGMVJFFQOMDD-KDOFPFPSSA-N -1 0 389.452 3.156 20 5 GGBDRM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262954350 962040639 /nfs/dbraw/zinc/04/06/39/962040639.db2.gz HMXFPXLXAFVFOO-LPHOPBHVSA-N -1 0 382.416 3.217 20 5 GGBDRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000262998425 962092312 /nfs/dbraw/zinc/09/23/12/962092312.db2.gz QXWMLDNNAOYJPU-LBPRGKRZSA-N -1 0 386.354 3.451 20 5 GGBDRM COc1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263039761 962162577 /nfs/dbraw/zinc/16/25/77/962162577.db2.gz NGEGEJBUQNELDC-RHSMWYFYSA-N -1 0 398.415 3.297 20 5 GGBDRM CC[C@@](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000263045950 962175669 /nfs/dbraw/zinc/17/56/69/962175669.db2.gz QPLNFWBZXAYVSH-IBGZPJMESA-N -1 0 388.445 3.479 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000263052131 962184819 /nfs/dbraw/zinc/18/48/19/962184819.db2.gz PZVHOLOSNUDPLI-AWEZNQCLSA-N -1 0 392.355 3.186 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000263064293 962203104 /nfs/dbraw/zinc/20/31/04/962203104.db2.gz IEHKALSZHGGHNR-JKSUJKDBSA-N -1 0 388.807 3.497 20 5 GGBDRM CC(C)C[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)CC(=O)[O-] ZINC001588894113 962219922 /nfs/dbraw/zinc/21/99/22/962219922.db2.gz CCMNSUWNBIGQHD-JTQLQIEISA-N -1 0 389.355 3.455 20 5 GGBDRM 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O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001574669934 962547550 /nfs/dbraw/zinc/54/75/50/962547550.db2.gz XNRJNQYFOFIPJT-SFHVURJKSA-N -1 0 388.807 3.391 20 5 GGBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC001574692268 962647679 /nfs/dbraw/zinc/64/76/79/962647679.db2.gz XEQGRNKXFWYLEO-AWEZNQCLSA-N -1 0 378.428 3.398 20 5 GGBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574165199 962735239 /nfs/dbraw/zinc/73/52/39/962735239.db2.gz UXHUFBYJXILSJP-UHFFFAOYSA-N -1 0 390.417 3.213 20 5 GGBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001574165356 962735564 /nfs/dbraw/zinc/73/55/64/962735564.db2.gz YOWRNLAVHZUCKF-UHFFFAOYSA-N -1 0 376.390 3.284 20 5 GGBDRM O=C([O-])c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000263583173 962751149 /nfs/dbraw/zinc/75/11/49/962751149.db2.gz ZOJXYLOMDRIVNI-UHFFFAOYSA-N -1 0 388.351 3.116 20 5 GGBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000263245650 967864844 /nfs/dbraw/zinc/86/48/44/967864844.db2.gz SEEDMLKBHQVWHA-SFYZADRCSA-N -1 0 383.273 3.191 20 5 GGBDRM O=C([O-])CCc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000467945582 968381676 /nfs/dbraw/zinc/38/16/76/968381676.db2.gz LDCKRCSCMXRTDM-UHFFFAOYSA-N -1 0 380.360 3.050 20 5 GGBDRM CC(C)(C)CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000566236168 968429437 /nfs/dbraw/zinc/42/94/37/968429437.db2.gz YFIQPVVPAGLLLY-OAHLLOKOSA-N -1 0 391.468 3.207 20 5 GGBDRM O=C([O-])C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000575850427 968458889 /nfs/dbraw/zinc/45/88/89/968458889.db2.gz ZDKXFZGBCKSXET-SNVBAGLBSA-N -1 0 389.330 3.010 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cc2[N+](=O)[O-])CC1 ZINC000583565228 968481038 /nfs/dbraw/zinc/48/10/38/968481038.db2.gz WOWFKZCPSPBMIB-ZBFHGGJFSA-N -1 0 389.452 3.014 20 5 GGBDRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000592465712 968487624 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397.181 3.070 20 5 GGBDRM C[C@@](CC(=O)[O-])(NCc1c(Br)cccc1[N+](=O)[O-])c1ccccn1 ZINC001592320327 977715916 /nfs/dbraw/zinc/71/59/16/977715916.db2.gz YOVOTSFJGFTZEO-INIZCTEOSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@@](CC(=O)[O-])(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccn1 ZINC001592328376 977747619 /nfs/dbraw/zinc/74/76/19/977747619.db2.gz LGQHBXYPFMZCRL-INIZCTEOSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@@H](CCCCNC(=O)OC(C)(C)C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592484925 978260191 /nfs/dbraw/zinc/26/01/91/978260191.db2.gz IGTGBQOJPVMRRX-NSHDSACASA-N -1 0 382.417 3.183 20 5 GGBDRM C[C@H](CCCCNC(=O)OC(C)(C)C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592484923 978260218 /nfs/dbraw/zinc/26/02/18/978260218.db2.gz IGTGBQOJPVMRRX-LLVKDONJSA-N -1 0 382.417 3.183 20 5 GGBDRM CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1C(=O)[O-] ZINC000737921945 978458304 /nfs/dbraw/zinc/45/83/04/978458304.db2.gz OJJWTPVNRLXOJA-UHFFFAOYSA-N -1 0 383.404 3.172 20 5 GGBDRM C[C@H](CN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001592575109 978476983 /nfs/dbraw/zinc/47/69/83/978476983.db2.gz GLWRWGISBBCNPH-ZVTBTPLYSA-N -1 0 379.413 3.360 20 5 GGBDRM Cc1cc(C)n(-c2ccc(CCNc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc2)n1 ZINC000738218148 978502704 /nfs/dbraw/zinc/50/27/04/978502704.db2.gz KKOYXBKUMPHILN-UHFFFAOYSA-N -1 0 381.392 3.145 20 5 GGBDRM O=C([O-])c1ccnc(NCc2ccc(NC(=O)c3ccco3)cc2)c1[N+](=O)[O-] ZINC000738510116 978549566 /nfs/dbraw/zinc/54/95/66/978549566.db2.gz CEEDDOCSMORJRH-UHFFFAOYSA-N -1 0 382.332 3.145 20 5 GGBDRM O=C([O-])c1ccnc(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000738695289 978593015 /nfs/dbraw/zinc/59/30/15/978593015.db2.gz JREIRMREOOCNFL-UHFFFAOYSA-N -1 0 377.769 3.278 20 5 GGBDRM Nc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc(F)cc1[N+](=O)[O-] ZINC000739205647 978620410 /nfs/dbraw/zinc/62/04/10/978620410.db2.gz VQIREMKGRPUTKR-UHFFFAOYSA-N -1 0 393.396 3.276 20 5 GGBDRM 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C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001592715789 979213009 /nfs/dbraw/zinc/21/30/09/979213009.db2.gz HPOMWHUFSOPWPW-SNVBAGLBSA-N -1 0 398.824 3.028 20 5 GGBDRM C[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001592723841 979233363 /nfs/dbraw/zinc/23/33/63/979233363.db2.gz XHYLGOZZWLSNAH-SNVBAGLBSA-N -1 0 398.824 3.028 20 5 GGBDRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000833766076 979238839 /nfs/dbraw/zinc/23/88/39/979238839.db2.gz HCANJEUVRGVLNW-VXGBXAGGSA-N -1 0 386.351 3.350 20 5 GGBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502499 979305048 /nfs/dbraw/zinc/30/50/48/979305048.db2.gz HGOOIRQYFUGJDW-UHFFFAOYSA-N -1 0 384.392 3.239 20 5 GGBDRM CC[C@H](C)C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000844157677 979346986 /nfs/dbraw/zinc/34/69/86/979346986.db2.gz KIBNCFFVQIYPRZ-OIBJUYFYSA-N -1 0 391.193 3.116 20 5 GGBDRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000844157675 979347100 /nfs/dbraw/zinc/34/71/00/979347100.db2.gz KIBNCFFVQIYPRZ-GMSGAONNSA-N -1 0 391.193 3.116 20 5 GGBDRM COc1cc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])ccc1OC(C)C ZINC000844206786 979353575 /nfs/dbraw/zinc/35/35/75/979353575.db2.gz SUVRJHPIILTTOM-UHFFFAOYSA-N -1 0 375.381 3.404 20 5 GGBDRM O=C([O-])c1cnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000844207836 979356592 /nfs/dbraw/zinc/35/65/92/979356592.db2.gz BPEOCMLJGOOSNK-INIZCTEOSA-N -1 0 391.811 3.291 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000844208011 979358082 /nfs/dbraw/zinc/35/80/82/979358082.db2.gz LMPAZXVDUUQMJX-QGZVFWFLSA-N -1 0 376.796 3.453 20 5 GGBDRM COc1ccc(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1OC(F)F ZINC000844209806 979362105 /nfs/dbraw/zinc/36/21/05/979362105.db2.gz VEBYVKIWAQFWOU-UHFFFAOYSA-N -1 0 396.346 3.487 20 5 GGBDRM C[C@](COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)(C(=O)[O-])c1ccccc1 ZINC001592765180 979368805 /nfs/dbraw/zinc/36/88/05/979368805.db2.gz PCRZGKGWFJIPEX-HXUWFJFHSA-N -1 0 382.372 3.204 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC(N3CCc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000844212341 979368847 /nfs/dbraw/zinc/36/88/47/979368847.db2.gz GHEFSGVJUZGUQL-UHFFFAOYSA-N -1 0 381.432 3.253 20 5 GGBDRM COc1ccc([C@H](O)C2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000844213320 979372551 /nfs/dbraw/zinc/37/25/51/979372551.db2.gz WWALTHMKPFOQTI-IBGZPJMESA-N -1 0 386.404 3.252 20 5 GGBDRM O=C([O-])/C=C\c1ccc(NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000844218276 979381869 /nfs/dbraw/zinc/38/18/69/979381869.db2.gz ORUGQAKFTOWJTI-ZPAIYRBCSA-N -1 0 386.379 3.410 20 5 GGBDRM O=C([O-])/C=C\c1ccc(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000844218272 979381920 /nfs/dbraw/zinc/38/19/20/979381920.db2.gz ORUGQAKFTOWJTI-MHYTXVRBSA-N -1 0 386.379 3.410 20 5 GGBDRM COC[C@]1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])OCCc2ccccc21 ZINC000844219817 979384182 /nfs/dbraw/zinc/38/41/82/979384182.db2.gz WYVAOKOQMKLBBA-RVFJIUOTSA-N -1 0 398.415 3.219 20 5 GGBDRM CCC(CC)(NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595097762 979395270 /nfs/dbraw/zinc/39/52/70/979395270.db2.gz NGTPSYYTDJETCV-ZIAGYGMSSA-N -1 0 391.468 3.450 20 5 GGBDRM CCC(CC)[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])N1CCOCC1 ZINC001595105893 979426838 /nfs/dbraw/zinc/42/68/38/979426838.db2.gz FHQRCRYVZOMDOP-INIZCTEOSA-N -1 0 399.875 3.495 20 5 GGBDRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000849312000 979491527 /nfs/dbraw/zinc/49/15/27/979491527.db2.gz SRIDVKWBYFTFQP-GFCCVEGCSA-N -1 0 396.808 3.015 20 5 GGBDRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000849312001 979491965 /nfs/dbraw/zinc/49/19/65/979491965.db2.gz SRIDVKWBYFTFQP-LBPRGKRZSA-N -1 0 396.808 3.015 20 5 GGBDRM CC[C@](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001595134708 979568407 /nfs/dbraw/zinc/56/84/07/979568407.db2.gz BFAOWGDFNAJUDM-OAQYLSRUSA-N -1 0 384.432 3.421 20 5 GGBDRM CC[C@](CNC(=O)CSc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595144531 979609473 /nfs/dbraw/zinc/60/94/73/979609473.db2.gz RCMSCRKHCCXIFB-LJQANCHMSA-N -1 0 388.445 3.236 20 5 GGBDRM CC[C@@](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)(C(=O)[O-])c1ccccc1 ZINC001595147281 979626572 /nfs/dbraw/zinc/62/65/72/979626572.db2.gz PVSQWXPJARGGST-FQEVSTJZSA-N -1 0 383.404 3.053 20 5 GGBDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001592848578 979631319 /nfs/dbraw/zinc/63/13/19/979631319.db2.gz QOTQNJKEJQPNRX-KRWDZBQOSA-N -1 0 380.759 3.203 20 5 GGBDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001592849044 979634590 /nfs/dbraw/zinc/63/45/90/979634590.db2.gz ZXZKWVLNCLNIPF-KRWDZBQOSA-N -1 0 380.759 3.203 20 5 GGBDRM CC[C@](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595159252 979672839 /nfs/dbraw/zinc/67/28/39/979672839.db2.gz OZVXGKKKUFAZKD-GOSISDBHSA-N -1 0 376.796 3.411 20 5 GGBDRM C[C@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000863734105 979675279 /nfs/dbraw/zinc/67/52/79/979675279.db2.gz KVASWJPDTQVTDX-IONNQARKSA-N -1 0 377.275 3.069 20 5 GGBDRM CC[C@](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595160078 979682499 /nfs/dbraw/zinc/68/24/99/979682499.db2.gz YYUCBVCYPMTCHW-GOSISDBHSA-N -1 0 376.796 3.411 20 5 GGBDRM CC[C@@](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595160779 979687762 /nfs/dbraw/zinc/68/77/62/979687762.db2.gz QKAXVIZMZSKXHH-SFHVURJKSA-N -1 0 376.796 3.411 20 5 GGBDRM CC[C@@](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)(C(=O)[O-])c1ccccc1 ZINC001595164236 979705705 /nfs/dbraw/zinc/70/57/05/979705705.db2.gz PDPSSIDQHMOECC-NRFANRHFSA-N -1 0 393.399 3.305 20 5 GGBDRM CC[C@@](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595172768 979745866 /nfs/dbraw/zinc/74/58/66/979745866.db2.gz OOTCPGFQMNFWRO-NRFANRHFSA-N -1 0 395.415 3.291 20 5 GGBDRM CC[C@@](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)(C(=O)[O-])c1ccccc1 ZINC001595172946 979747503 /nfs/dbraw/zinc/74/75/03/979747503.db2.gz VEZPTMOKLIZUGR-FQEVSTJZSA-N -1 0 383.404 3.324 20 5 GGBDRM C[C@H](Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592884033 979764713 /nfs/dbraw/zinc/76/47/13/979764713.db2.gz ZBVBAJQQNHCQPR-LLVKDONJSA-N -1 0 378.406 3.005 20 5 GGBDRM O=C([O-])Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000864160876 979776552 /nfs/dbraw/zinc/77/65/52/979776552.db2.gz TVXBHAZCIMYZSO-UHFFFAOYSA-N -1 0 397.431 3.142 20 5 GGBDRM C[C@@H](Cc1ccccc1Br)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592892170 979789655 /nfs/dbraw/zinc/78/96/55/979789655.db2.gz WOCWYHLMSIYNBB-VIFPVBQESA-N -1 0 380.198 3.494 20 5 GGBDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000864195492 979857021 /nfs/dbraw/zinc/85/70/21/979857021.db2.gz GPZLGOQHBIPBJJ-IBGZPJMESA-N -1 0 390.823 3.383 20 5 GGBDRM O=C([O-])[C@]12CCC[C@H]1N(c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000871868971 979978255 /nfs/dbraw/zinc/97/82/55/979978255.db2.gz OMCSUFUSNUJOAQ-YPMHNXCESA-N -1 0 395.284 3.478 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001595211182 979989035 /nfs/dbraw/zinc/98/90/35/979989035.db2.gz DILQSXVVBIQAAS-QZTJIDSGSA-N -1 0 384.432 3.366 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001595211241 979989902 /nfs/dbraw/zinc/98/99/02/979989902.db2.gz FMTWSLLRLPRLAR-VLIAUNLRSA-N -1 0 388.395 3.419 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595211567 979992968 /nfs/dbraw/zinc/99/29/68/979992968.db2.gz ILOZIDHAJICKRC-SJCJKPOMSA-N -1 0 392.358 3.384 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595211569 979993035 /nfs/dbraw/zinc/99/30/35/979993035.db2.gz ILOZIDHAJICKRC-YVEFUNNKSA-N -1 0 392.358 3.384 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001595213862 980011550 /nfs/dbraw/zinc/01/15/50/980011550.db2.gz XZYPGPYNOCHAFM-OAHLLOKOSA-N -1 0 386.404 3.057 20 5 GGBDRM CCC(F)(F)C(C)(C)CS(=O)(=O)Oc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595221686 980053711 /nfs/dbraw/zinc/05/37/11/980053711.db2.gz MEUQJCRWXONNHC-UHFFFAOYSA-N -1 0 381.353 3.073 20 5 GGBDRM CC[C@@](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001595232825 980126669 /nfs/dbraw/zinc/12/66/69/980126669.db2.gz JTFWKQUZLCAQMW-KRWDZBQOSA-N -1 0 378.331 3.193 20 5 GGBDRM CC[C@](NC(=O)COc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595242508 980166427 /nfs/dbraw/zinc/16/64/27/980166427.db2.gz JHKRRYYIQYBSOT-GOSISDBHSA-N -1 0 392.795 3.133 20 5 GGBDRM CC[C@@](NC(=O)Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595246196 980181644 /nfs/dbraw/zinc/18/16/44/980181644.db2.gz VETLOPVDENZYEC-SFHVURJKSA-N -1 0 376.796 3.297 20 5 GGBDRM C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001592991031 980186218 /nfs/dbraw/zinc/18/62/18/980186218.db2.gz VYLBANNDBYNEDT-ZDUSSCGKSA-N -1 0 386.404 3.213 20 5 GGBDRM C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592994419 980204067 /nfs/dbraw/zinc/20/40/67/980204067.db2.gz XSRMFZYOVHLQPJ-WBMJQRKESA-N -1 0 392.358 3.135 20 5 GGBDRM C[C@@](NC(=O)/C=C\SCc1ccco1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009218 980235159 /nfs/dbraw/zinc/23/51/59/980235159.db2.gz OHFLFDDBWRRVOW-KMDWOBIYSA-N -1 0 376.390 3.051 20 5 GGBDRM C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593019465 980270983 /nfs/dbraw/zinc/27/09/83/980270983.db2.gz CEHHFNJUOIISFJ-QMMMGPOBSA-N -1 0 383.813 3.213 20 5 GGBDRM C[C@@](NC(=O)CCOc1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593019608 980271633 /nfs/dbraw/zinc/27/16/33/980271633.db2.gz VBMDNCGIQOVCAJ-SFHVURJKSA-N -1 0 392.795 3.133 20 5 GGBDRM CC[C@@](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264748 980271756 /nfs/dbraw/zinc/27/17/56/980271756.db2.gz DZAHMBMCBDQRPY-SFHVURJKSA-N -1 0 392.795 3.377 20 5 GGBDRM C[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593020107 980278456 /nfs/dbraw/zinc/27/84/56/980278456.db2.gz UZKZSNRBWZNISI-CXAGYDPISA-N -1 0 388.395 3.115 20 5 GGBDRM C[C@](NC(=O)CCc1cccc(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593020167 980278858 /nfs/dbraw/zinc/27/88/58/980278858.db2.gz WVNKYMVPXVUQCI-GOSISDBHSA-N -1 0 376.796 3.297 20 5 GGBDRM C[C@H](NC(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593036158 980312607 /nfs/dbraw/zinc/31/26/07/980312607.db2.gz IOJRKEAWGPAALK-JTQLQIEISA-N -1 0 378.768 3.203 20 5 GGBDRM C[C@](NC(=O)CSc1ccc(F)c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593036811 980315888 /nfs/dbraw/zinc/31/58/88/980315888.db2.gz RJDRVIXBLSYHCQ-QGZVFWFLSA-N -1 0 396.371 3.081 20 5 GGBDRM C[C@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593039569 980318951 /nfs/dbraw/zinc/31/89/51/980318951.db2.gz BUKJMLVQHLQVHX-QGZVFWFLSA-N -1 0 380.759 3.046 20 5 GGBDRM C[C@@](NC(=O)Cc1ccccc1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593044902 980333860 /nfs/dbraw/zinc/33/38/60/980333860.db2.gz SFDHMFKVVCMXEW-KRWDZBQOSA-N -1 0 396.321 3.272 20 5 GGBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001595360852 980756052 /nfs/dbraw/zinc/75/60/52/980756052.db2.gz BKCFEYLGJVSXFH-MRXNPFEDSA-N -1 0 386.404 3.428 20 5 GGBDRM CCC1(CC)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001595374265 980882465 /nfs/dbraw/zinc/88/24/65/980882465.db2.gz AHFAPKSPEFXKJU-UHFFFAOYSA-N -1 0 384.454 3.274 20 5 GGBDRM 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COc1ccc2[nH]c3c(c2c1)CCN(c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C3 ZINC001599623815 994120356 /nfs/dbraw/zinc/12/03/56/994120356.db2.gz RQXRMZJLWYBIJV-UHFFFAOYSA-N -1 0 382.376 3.049 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](Cc3cccc(F)c3)C(=O)[O-])c2c1 ZINC001599637965 994316174 /nfs/dbraw/zinc/31/61/74/994316174.db2.gz OENHGQRIODBPFI-ZDUSSCGKSA-N -1 0 399.378 3.068 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599638157 994319582 /nfs/dbraw/zinc/31/95/82/994319582.db2.gz WSVSNDUFWXFFBO-NRFANRHFSA-N -1 0 393.399 3.384 20 5 GGBDRM COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)c1[N+](=O)[O-] ZINC001599640882 994357403 /nfs/dbraw/zinc/35/74/03/994357403.db2.gz HAPQSZQDFDORKN-AWEZNQCLSA-N -1 0 390.417 3.271 20 5 GGBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001599643180 994387590 /nfs/dbraw/zinc/38/75/90/994387590.db2.gz APCIOBJTMCDCAV-UHFFFAOYSA-N -1 0 376.390 3.300 20 5 GGBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001599646389 994430697 /nfs/dbraw/zinc/43/06/97/994430697.db2.gz UCHOBMOUCCBGBH-UHFFFAOYSA-N -1 0 396.758 3.300 20 5 GGBDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001599649589 994475785 /nfs/dbraw/zinc/47/57/85/994475785.db2.gz QYJZIFXPPAUCFO-OAHLLOKOSA-N -1 0 378.768 3.155 20 5 GGBDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cccc(SC)c2[N+](=O)[O-])c1 ZINC001599650183 994486400 /nfs/dbraw/zinc/48/64/00/994486400.db2.gz TZXIVOGNEHTOHH-HNNXBMFYSA-N -1 0 390.417 3.223 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001599652157 994522306 /nfs/dbraw/zinc/52/23/06/994522306.db2.gz GMBLPIRQVWLPHL-SFHVURJKSA-N -1 0 392.795 3.377 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC001599652601 994528575 /nfs/dbraw/zinc/52/85/75/994528575.db2.gz AXDVHZKDOWNFIY-GOSISDBHSA-N -1 0 394.330 3.002 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC001599653045 994535768 /nfs/dbraw/zinc/53/57/68/994535768.db2.gz GJMWWQAMKXIZSO-LJQANCHMSA-N -1 0 390.367 3.171 20 5 GGBDRM COc1cccc([C@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC001599658135 994613592 /nfs/dbraw/zinc/61/35/92/994613592.db2.gz BSYRPRMKJLOWMB-QFYYESIMSA-N -1 0 377.324 3.215 20 5 GGBDRM CNc1ccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC001598678947 994894795 /nfs/dbraw/zinc/89/47/95/994894795.db2.gz WWEARUADSZOYHB-KBXCAEBGSA-N -1 0 397.431 3.330 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC001593360682 995026071 /nfs/dbraw/zinc/02/60/71/995026071.db2.gz XPIVBUVHKGJOHZ-GZBFAFLISA-N -1 0 398.419 3.098 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC001593360683 995026314 /nfs/dbraw/zinc/02/63/14/995026314.db2.gz XPIVBUVHKGJOHZ-KCQAQPDRSA-N -1 0 398.419 3.098 20 5 GGBDRM COC(=O)[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC001598705334 995278563 /nfs/dbraw/zinc/27/85/63/995278563.db2.gz ZGVJCOOKRQFJGY-TUPIDYKKSA-N -1 0 376.409 3.474 20 5 GGBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001593556337 995641829 /nfs/dbraw/zinc/64/18/29/995641829.db2.gz HQTUOBZVELJLQR-SECBINFHSA-N -1 0 392.751 3.130 20 5 GGBDRM C[C@H](OC(=O)c1cscc1C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001593598996 995745211 /nfs/dbraw/zinc/74/52/11/995745211.db2.gz AGPCQYQXPDWSNB-ZETCQYMHSA-N -1 0 398.780 3.192 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593619229 995860393 /nfs/dbraw/zinc/86/03/93/995860393.db2.gz BBJJWHVBXVBHPI-VOJFVSQTSA-N -1 0 392.795 3.132 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001593619623 995862313 /nfs/dbraw/zinc/86/23/13/995862313.db2.gz IERVFBDLUZCBDD-SNVBAGLBSA-N -1 0 378.768 3.281 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001593619702 995863003 /nfs/dbraw/zinc/86/30/03/995863003.db2.gz LYEFTHDMJLNUIP-AMIZOPFISA-N -1 0 384.797 3.019 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001593619802 995864673 /nfs/dbraw/zinc/86/46/73/995864673.db2.gz PGVXSANNBOAZEF-MRVPVSSYSA-N -1 0 382.731 3.492 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001593619968 995865885 /nfs/dbraw/zinc/86/58/85/995865885.db2.gz VBFJYDFKUZITGU-MEBBXXQBSA-N -1 0 379.752 3.385 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001593619966 995866239 /nfs/dbraw/zinc/86/62/39/995866239.db2.gz VBFJYDFKUZITGU-BMIGLBTASA-N -1 0 379.752 3.385 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001593620150 995868015 /nfs/dbraw/zinc/86/80/15/995868015.db2.gz XBXNCPAIFQFZPF-MRVPVSSYSA-N -1 0 384.797 3.092 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001593620330 995869849 /nfs/dbraw/zinc/86/98/49/995869849.db2.gz ZNLADCYQCJYQBP-LBPRGKRZSA-N -1 0 392.795 3.129 20 5 GGBDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593622576 995876249 /nfs/dbraw/zinc/87/62/49/995876249.db2.gz DSZVKAIODJPXEN-QMMMGPOBSA-N -1 0 383.715 3.458 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc1F)C(=O)[O-] ZINC001593624052 995884535 /nfs/dbraw/zinc/88/45/35/995884535.db2.gz FOZAANCYKWVVRE-NXEZZACHSA-N -1 0 394.330 3.467 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1F)C(=O)[O-] ZINC001593626273 995895360 /nfs/dbraw/zinc/89/53/60/995895360.db2.gz KGFSECVGYIFSBH-LLVKDONJSA-N -1 0 391.355 3.250 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1F)C(=O)[O-] ZINC001593626436 995896321 /nfs/dbraw/zinc/89/63/21/995896321.db2.gz MTRRDOZCFFYLEO-VIFPVBQESA-N -1 0 396.758 3.420 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F)C(=O)[O-] ZINC001593630465 995913622 /nfs/dbraw/zinc/91/36/22/995913622.db2.gz AWZNMQBKCGZESU-NZVBXONLSA-N -1 0 388.351 3.328 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1F)C(=O)[O-] ZINC001593634543 995926249 /nfs/dbraw/zinc/92/62/49/995926249.db2.gz UBYBDQMMIGQYIG-SECBINFHSA-N -1 0 387.323 3.319 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001593667088 996055662 /nfs/dbraw/zinc/05/56/62/996055662.db2.gz KEUDLTSTEPYUMQ-UKRRQHHQSA-N -1 0 388.445 3.278 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593667094 996055674 /nfs/dbraw/zinc/05/56/74/996055674.db2.gz KNDOWKHOQDFWJV-BBATYDOGSA-N -1 0 392.408 3.331 20 5 GGBDRM C[C@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001593678332 996091345 /nfs/dbraw/zinc/09/13/45/996091345.db2.gz KEKBXPCTRKSQPD-QMMMGPOBSA-N -1 0 381.797 3.461 20 5 GGBDRM C[C@H](c1ccccc1)n1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001593714085 996227775 /nfs/dbraw/zinc/22/77/75/996227775.db2.gz SEIJBKUDGNRIJS-CQSZACIVSA-N -1 0 396.403 3.476 20 5 GGBDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001593730876 996297471 /nfs/dbraw/zinc/29/74/71/996297471.db2.gz AKESSNFMEDGMJE-LLVKDONJSA-N -1 0 377.422 3.354 20 5 GGBDRM COC(=O)/C=C\c1ccc(NC[C@@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])c1 ZINC001598835011 996475800 /nfs/dbraw/zinc/47/58/00/996475800.db2.gz TVWPOGSVWDBGJU-WKTRQSJXSA-N -1 0 376.409 3.474 20 5 GGBDRM C[C@@]1(C(=O)[O-])CCCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001593778925 996488273 /nfs/dbraw/zinc/48/82/73/996488273.db2.gz RWQPYYZOEJSEIB-CYBMUJFWSA-N -1 0 377.275 3.213 20 5 GGBDRM CC1(C)[C@H](O)C[C@@H]1Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001593837774 996595826 /nfs/dbraw/zinc/59/58/26/996595826.db2.gz LCGUDEWKAGLCLS-DLBZAZTESA-N -1 0 384.388 3.095 20 5 GGBDRM CC1(C)C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCO1 ZINC001593853697 996632973 /nfs/dbraw/zinc/63/29/73/996632973.db2.gz OFEPEUQPZQNWAJ-LBPRGKRZSA-N -1 0 396.465 3.097 20 5 GGBDRM CC1(C)CC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC(C)(C)C1 ZINC001593855291 996640730 /nfs/dbraw/zinc/64/07/30/996640730.db2.gz YKPPOEJSIPEBFI-UHFFFAOYSA-N -1 0 398.481 3.424 20 5 GGBDRM COc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1[N+](=O)[O-] ZINC001599481316 996779700 /nfs/dbraw/zinc/77/97/00/996779700.db2.gz GSNGNPNWNIKFIW-LLVKDONJSA-N -1 0 391.405 3.044 20 5 GGBDRM COc1ccc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001599483155 996800721 /nfs/dbraw/zinc/80/07/21/996800721.db2.gz AOWWTVLQTLWOQZ-AWEZNQCLSA-N -1 0 398.293 3.335 20 5 GGBDRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC001599490034 996921061 /nfs/dbraw/zinc/92/10/61/996921061.db2.gz RVTHZBQZJGODCV-UHFFFAOYSA-N -1 0 382.731 3.275 20 5 GGBDRM COc1cc(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599385920 996944171 /nfs/dbraw/zinc/94/41/71/996944171.db2.gz CZDSWNNUXLNLPM-OAHLLOKOSA-N -1 0 379.752 3.110 20 5 GGBDRM COc1cc(C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC001599386008 996945488 /nfs/dbraw/zinc/94/54/88/996945488.db2.gz HHXFVFIZZNSWNG-RKDXNWHRSA-N -1 0 389.307 3.005 20 5 GGBDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001599495773 997018212 /nfs/dbraw/zinc/01/82/12/997018212.db2.gz PZQBLRMSEZNNHT-LBPRGKRZSA-N -1 0 399.403 3.131 20 5 GGBDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001599498165 997056463 /nfs/dbraw/zinc/05/64/63/997056463.db2.gz WQUSKNGLLJTJMB-UHFFFAOYSA-N -1 0 390.779 3.154 20 5 GGBDRM COc1ccc(C(=O)[O-])c2c1CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)CC2 ZINC001599498627 997067153 /nfs/dbraw/zinc/06/71/53/997067153.db2.gz VEFOIILLQNAXSC-UHFFFAOYSA-N -1 0 394.330 3.466 20 5 GGBDRM 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ZINC001599301573 997242101 /nfs/dbraw/zinc/24/21/01/997242101.db2.gz HLQFGSOLPCKKBR-UHFFFAOYSA-N -1 0 385.785 3.110 20 5 GGBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001599510139 997282948 /nfs/dbraw/zinc/28/29/48/997282948.db2.gz IIWFCIFIYFWQSV-MRXNPFEDSA-N -1 0 390.367 3.007 20 5 GGBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)cc1 ZINC001599514229 997355045 /nfs/dbraw/zinc/35/50/45/997355045.db2.gz IEHUCVFTFHGALF-ZDUSSCGKSA-N -1 0 396.758 3.342 20 5 GGBDRM COc1ccc([C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Cl ZINC001599516553 997398189 /nfs/dbraw/zinc/39/81/89/997398189.db2.gz SLDGRCIWHKHOKT-KRWDZBQOSA-N -1 0 392.795 3.132 20 5 GGBDRM COc1ccc([C@@H](CO)CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)cc1 ZINC001599518017 997426310 /nfs/dbraw/zinc/42/63/10/997426310.db2.gz ZNLDWUPEPVHPID-LLVKDONJSA-N -1 0 380.784 3.143 20 5 GGBDRM COc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)ccc1C(=O)[O-] ZINC001599412910 997454826 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COc1ccc(CSCC(=O)Nc2sccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599576404 998451381 /nfs/dbraw/zinc/45/13/81/998451381.db2.gz IZTRXNAEFIHAEB-UHFFFAOYSA-N -1 0 382.419 3.235 20 5 GGBDRM COc1ccc(Br)cc1CN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599476333 998537766 /nfs/dbraw/zinc/53/77/66/998537766.db2.gz QXRCUCZFVQCLAD-UHFFFAOYSA-N -1 0 396.197 3.096 20 5 GGBDRM COCCn1ccc2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC001599273894 998583019 /nfs/dbraw/zinc/58/30/19/998583019.db2.gz DDXQSRKFKGGGEP-UHFFFAOYSA-N -1 0 383.360 3.146 20 5 GGBDRM COC(=O)c1ccc(Cl)c(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001598976407 998604332 /nfs/dbraw/zinc/60/43/32/998604332.db2.gz VQMNYMNADRGAPB-GOSISDBHSA-N -1 0 392.795 3.124 20 5 GGBDRM COC(=O)c1ccc(NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001598978588 998630290 /nfs/dbraw/zinc/63/02/90/998630290.db2.gz DIUFQJCGYUDLTF-LUAWRHEFSA-N -1 0 384.344 3.122 20 5 GGBDRM COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C(=O)[O-] ZINC001598983125 998676063 /nfs/dbraw/zinc/67/60/63/998676063.db2.gz FAGAARWNLMBTIO-UHFFFAOYSA-N -1 0 392.751 3.294 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC001598987894 998711247 /nfs/dbraw/zinc/71/12/47/998711247.db2.gz KFGNACLIRKXJQR-UHFFFAOYSA-N -1 0 376.390 3.443 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC001598988046 998712281 /nfs/dbraw/zinc/71/22/81/998712281.db2.gz NOGCTRHHHBYFAE-CQSZACIVSA-N -1 0 386.404 3.104 20 5 GGBDRM COC(=O)c1ccc2c(c1)[C@@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])CCC2 ZINC001598989618 998724074 /nfs/dbraw/zinc/72/40/74/998724074.db2.gz FMSQFUXSXFMPRK-CQSZACIVSA-N -1 0 399.403 3.315 20 5 GGBDRM COC(=O)c1ccc2c(c1)[C@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])CCC2 ZINC001598989617 998724150 /nfs/dbraw/zinc/72/41/50/998724150.db2.gz FMSQFUXSXFMPRK-AWEZNQCLSA-N -1 0 399.403 3.315 20 5 GGBDRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594206004 998792343 /nfs/dbraw/zinc/79/23/43/998792343.db2.gz NWMUDGZCJSWYCV-ZSBIGDGJSA-N -1 0 384.816 3.117 20 5 GGBDRM COC(=O)c1cccc(OCc2ccc(C(=O)[O-])c3cccnc23)c1[N+](=O)[O-] ZINC001598999305 998809936 /nfs/dbraw/zinc/80/99/36/998809936.db2.gz RZOHEKYBJXUTCU-UHFFFAOYSA-N -1 0 382.328 3.207 20 5 GGBDRM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594215271 998828918 /nfs/dbraw/zinc/82/89/18/998828918.db2.gz RELQANYZSKGTRJ-ZYHUDNBSSA-N -1 0 376.331 3.221 20 5 GGBDRM COC(=O)c1cccc2c1CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CC2 ZINC001599002784 998833009 /nfs/dbraw/zinc/83/30/09/998833009.db2.gz LLNKRDFAKBPWOL-UHFFFAOYSA-N -1 0 390.779 3.296 20 5 GGBDRM COC(=O)c1ccnc(Oc2cc(Br)cc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001599004087 998843666 /nfs/dbraw/zinc/84/36/66/998843666.db2.gz DIWKHPLCPZENSE-UHFFFAOYSA-N -1 0 397.137 3.029 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])cn3)cc2[N+](=O)[O-])C1 ZINC001594230230 998873389 /nfs/dbraw/zinc/87/33/89/998873389.db2.gz FJWILUCGKQJYMN-CHWSQXEVSA-N -1 0 398.419 3.423 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])cn3)cc2[N+](=O)[O-])C1 ZINC001594230229 998873472 /nfs/dbraw/zinc/87/34/72/998873472.db2.gz FJWILUCGKQJYMN-BETUJISGSA-N -1 0 398.419 3.423 20 5 GGBDRM C[C@@H]1C[C@@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC(C)(C)C1 ZINC001594236338 998900963 /nfs/dbraw/zinc/90/09/63/998900963.db2.gz QBEIGUDRRWJHHK-CHWSQXEVSA-N -1 0 398.481 3.424 20 5 GGBDRM CO[C@@H](C(=O)[O-])c1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001599027940 999029464 /nfs/dbraw/zinc/02/94/64/999029464.db2.gz XGYPXTWMMVDBLP-MRXNPFEDSA-N -1 0 394.767 3.038 20 5 GGBDRM C[C@@H]1CC(OC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H](C)O1 ZINC001594265725 999029603 /nfs/dbraw/zinc/02/96/03/999029603.db2.gz HAAOWCPIHCJNJQ-GHMZBOCLSA-N -1 0 383.422 3.274 20 5 GGBDRM C[C@H]1CC(OC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H](C)O1 ZINC001594265727 999029719 /nfs/dbraw/zinc/02/97/19/999029719.db2.gz HAAOWCPIHCJNJQ-QWRGUYRKSA-N -1 0 383.422 3.274 20 5 GGBDRM C[C@@H]1C[C@]2(CCO1)CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C[C@H](C)O2 ZINC001594283400 999097605 /nfs/dbraw/zinc/09/76/05/999097605.db2.gz GSEDEHOHJYEPAA-VGTOOOLASA-N -1 0 384.816 3.109 20 5 GGBDRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594299378 999155750 /nfs/dbraw/zinc/15/57/50/999155750.db2.gz YNPWNYLELOSBEL-UMVBOHGHSA-N -1 0 398.481 3.280 20 5 GGBDRM C[C@@H]1CC[C@@](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594312554 999199966 /nfs/dbraw/zinc/19/99/66/999199966.db2.gz BVCMSVINJBYHAJ-SZNDQCEHSA-N -1 0 397.431 3.025 20 5 GGBDRM C[C@H]1CC[C@](NC(=O)CNc2ccccc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594314897 999219138 /nfs/dbraw/zinc/21/91/38/999219138.db2.gz SWEDNFCNZYBFJR-RNODOKPDSA-N -1 0 383.404 3.000 20 5 GGBDRM C[C@@H]1CC[C@](NC(=O)CNc2ccccc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594314902 999219425 /nfs/dbraw/zinc/21/94/25/999219425.db2.gz SWEDNFCNZYBFJR-ZUOKHONESA-N -1 0 383.404 3.000 20 5 GGBDRM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001594329322 999265220 /nfs/dbraw/zinc/26/52/20/999265220.db2.gz WZYJUIYMWGOHMS-QTXLCTLRSA-N -1 0 390.436 3.085 20 5 GGBDRM C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C(=O)OC(C)(C)C ZINC001594382783 999444706 /nfs/dbraw/zinc/44/47/06/999444706.db2.gz CIMADGSYLDBQLC-BLLLJJGKSA-N -1 0 378.425 3.235 20 5 GGBDRM C[C@@H]1CCCN(c2ccc(C(=O)OCc3ccoc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594388926 999472562 /nfs/dbraw/zinc/47/25/62/999472562.db2.gz JVMDOXUUUXGWIV-GFCCVEGCSA-N -1 0 388.376 3.479 20 5 GGBDRM C[C@H]1CCCN(c2ccc(C(=O)OCc3ccoc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594388928 999472739 /nfs/dbraw/zinc/47/27/39/999472739.db2.gz JVMDOXUUUXGWIV-LBPRGKRZSA-N -1 0 388.376 3.479 20 5 GGBDRM C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001594433280 999611741 /nfs/dbraw/zinc/61/17/41/999611741.db2.gz WMZHIJQBXUQNGJ-ZDUSSCGKSA-N -1 0 396.465 3.274 20 5 GGBDRM CC1CCN(c2ccc(C(=O)NCc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001594434567 999613565 /nfs/dbraw/zinc/61/35/65/999613565.db2.gz WPSRBDBIQTZWGK-UHFFFAOYSA-N -1 0 397.431 3.459 20 5 GGBDRM CC(C)c1cnc(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])s1 ZINC000417572469 1126080764 /nfs/dbraw/zinc/08/07/64/1126080764.db2.gz ZCJWKKKBSRWDRA-HNNXBMFYSA-N -1 0 388.449 3.442 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000067659722 205252938 /nfs/dbraw/zinc/25/29/38/205252938.db2.gz ASAGKQPJPIZNCB-UHFFFAOYSA-N -1 0 375.328 3.370 20 5 GGBDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1OC(F)F ZINC000114674258 564180608 /nfs/dbraw/zinc/18/06/08/564180608.db2.gz DHQUWSOMSLBUGR-UHFFFAOYSA-N -1 0 376.312 3.445 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000006884694 564228729 /nfs/dbraw/zinc/22/87/29/564228729.db2.gz BZVYJOMFMABJAB-UHFFFAOYSA-N -1 0 375.175 3.297 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000118951551 564248387 /nfs/dbraw/zinc/24/83/87/564248387.db2.gz LOMZWIOEVIRVOR-UHFFFAOYSA-N -1 0 376.419 3.223 20 5 GGBDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119025185 564251122 /nfs/dbraw/zinc/25/11/22/564251122.db2.gz PGWHROMRAXUYCP-UHFFFAOYSA-N -1 0 383.451 3.422 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000119047584 564252177 /nfs/dbraw/zinc/25/21/77/564252177.db2.gz FAPXKIRACYLQOY-UHFFFAOYSA-N -1 0 378.435 3.010 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000014256241 564280463 /nfs/dbraw/zinc/28/04/63/564280463.db2.gz WFYQXBDXIYAQTC-UHFFFAOYSA-N -1 0 393.240 3.228 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000119664728 564282035 /nfs/dbraw/zinc/28/20/35/564282035.db2.gz XOLNVYGUMNFSME-UHFFFAOYSA-N -1 0 387.211 3.167 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)F)n2)c(Cl)c1 ZINC000119675083 564282786 /nfs/dbraw/zinc/28/27/86/564282786.db2.gz QHRDWZXKRSDAHE-UHFFFAOYSA-N -1 0 393.755 3.088 20 5 GGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(I)c1 ZINC000021028201 564308561 /nfs/dbraw/zinc/30/85/61/564308561.db2.gz KHJVNUNWZFGYLQ-UHFFFAOYSA-N -1 0 384.129 3.157 20 5 GGBDRM C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000021028342 564308830 /nfs/dbraw/zinc/30/88/30/564308830.db2.gz AIOMQGTUZCOZTO-SECBINFHSA-N -1 0 381.182 3.469 20 5 GGBDRM O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000021275682 564309757 /nfs/dbraw/zinc/30/97/57/564309757.db2.gz XEYKYEMMEOCPMM-UHFFFAOYSA-N -1 0 384.129 3.157 20 5 GGBDRM Cc1cncc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000120902880 564342181 /nfs/dbraw/zinc/34/21/81/564342181.db2.gz BYYUAKOLBPVOMF-UHFFFAOYSA-N -1 0 376.221 3.084 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1C ZINC000121130746 564354846 /nfs/dbraw/zinc/35/48/46/564354846.db2.gz ITVYINSCRFPDED-UHFFFAOYSA-N -1 0 375.328 3.426 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)ccc1[N+](=O)[O-] ZINC000121354131 564366068 /nfs/dbraw/zinc/36/60/68/564366068.db2.gz RMPHUVOABFMVGM-UHFFFAOYSA-N -1 0 385.829 3.124 20 5 GGBDRM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000121772653 564386359 /nfs/dbraw/zinc/38/63/59/564386359.db2.gz SWLXVVNRELSSGL-UHFFFAOYSA-N -1 0 383.173 3.474 20 5 GGBDRM CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000040945599 564429459 /nfs/dbraw/zinc/42/94/59/564429459.db2.gz HPBXJRAJBPBXSH-UHFFFAOYSA-N -1 0 384.435 3.251 20 5 GGBDRM Cc1sc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-] ZINC000123517402 564451703 /nfs/dbraw/zinc/45/17/03/564451703.db2.gz QXHKEWNTKLCPGO-UHFFFAOYSA-N -1 0 379.419 3.098 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cc(Br)cs1 ZINC000123730306 564459550 /nfs/dbraw/zinc/45/95/50/564459550.db2.gz BSIOIYNXMUDDGD-UHFFFAOYSA-N -1 0 395.231 3.036 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000124349825 564479704 /nfs/dbraw/zinc/47/97/04/564479704.db2.gz MLCWBUSLYZOGHP-UHFFFAOYSA-N -1 0 387.211 3.167 20 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O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435139819 567344003 /nfs/dbraw/zinc/34/40/03/567344003.db2.gz QDAVGCVVNQNXIR-UHFFFAOYSA-N -1 0 391.174 3.003 20 5 GGBDRM Cc1nc(CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000501059359 567360896 /nfs/dbraw/zinc/36/08/96/567360896.db2.gz VKCTULIPDBERPA-UHFFFAOYSA-N -1 0 394.236 3.027 20 5 GGBDRM CC(=C([O-])c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477038673 567367100 /nfs/dbraw/zinc/36/71/00/567367100.db2.gz UWBFQQISAAVYAI-SNVBAGLBSA-N -1 0 398.234 3.402 20 5 GGBDRM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)sc2C)cc1[N+](=O)[O-] ZINC000568983327 567371062 /nfs/dbraw/zinc/37/10/62/567371062.db2.gz HOQSOFUQYJGFOH-UHFFFAOYSA-N -1 0 384.435 3.115 20 5 GGBDRM CC(C)n1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000569167573 567384199 /nfs/dbraw/zinc/38/41/99/567384199.db2.gz QLCHLJLDTAOELH-UHFFFAOYSA-N -1 0 393.252 3.158 20 5 GGBDRM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000435980249 567397521 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Cc1ccc(-c2nc(CNC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)co2)cc1 ZINC000237783526 601104424 /nfs/dbraw/zinc/10/44/24/601104424.db2.gz FLVPIAZZZQHNLY-UHFFFAOYSA-N -1 0 381.344 3.186 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832957385 601105133 /nfs/dbraw/zinc/10/51/33/601105133.db2.gz CARYUYJIOGVMKR-KRWDZBQOSA-N -1 0 377.324 3.180 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000832476012 601119291 /nfs/dbraw/zinc/11/92/91/601119291.db2.gz CEGPSXDBAAJFKR-UHFFFAOYSA-N -1 0 395.751 3.191 20 5 GGBDRM CC[C@@H](NC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC000828957939 601131484 /nfs/dbraw/zinc/13/14/84/601131484.db2.gz JRLYXHMBIHNTGH-GFCCVEGCSA-N -1 0 393.425 3.126 20 5 GGBDRM CCOc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC ZINC000830049900 601147901 /nfs/dbraw/zinc/14/79/01/601147901.db2.gz RUOKUMLKFSHJEB-RYUDHWBXSA-N -1 0 380.397 3.222 20 5 GGBDRM Cc1nc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000833001906 601148053 /nfs/dbraw/zinc/14/80/53/601148053.db2.gz BRXXVHPQQHWQKH-UHFFFAOYSA-N -1 0 386.183 3.073 20 5 GGBDRM CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC000830524417 601148911 /nfs/dbraw/zinc/14/89/11/601148911.db2.gz XWUSYAXSSDASNF-UHFFFAOYSA-N -1 0 379.166 3.332 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000833198674 601149604 /nfs/dbraw/zinc/14/96/04/601149604.db2.gz FSCNPKKSYCYTHC-SNVBAGLBSA-N -1 0 399.222 3.365 20 5 GGBDRM O=C([O-])CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000833245842 601154508 /nfs/dbraw/zinc/15/45/08/601154508.db2.gz UOMJFTLXEOKLSL-UHFFFAOYSA-N -1 0 386.257 3.484 20 5 GGBDRM O=C([O-])[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc21 ZINC000833192465 601157125 /nfs/dbraw/zinc/15/71/25/601157125.db2.gz HTWNUTGXMLGFPR-LBPRGKRZSA-N -1 0 391.177 3.186 20 5 GGBDRM O=C([O-])CC1(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000595999779 601186590 /nfs/dbraw/zinc/18/65/90/601186590.db2.gz 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382.376 3.196 20 5 GGBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000013342104 601203373 /nfs/dbraw/zinc/20/33/73/601203373.db2.gz KBHVAUONDCJOTE-UHFFFAOYSA-N -1 0 392.172 3.368 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc([N+](=O)[O-])c1 ZINC000833295851 601241813 /nfs/dbraw/zinc/24/18/13/601241813.db2.gz GRUUCQXIARYMBR-CYBMUJFWSA-N -1 0 388.401 3.232 20 5 GGBDRM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000827928685 601248106 /nfs/dbraw/zinc/24/81/06/601248106.db2.gz MWGDZKMXXUJVQF-LBPRGKRZSA-N -1 0 397.387 3.353 20 5 GGBDRM C[C@H](c1ccccc1F)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000827694884 601249217 /nfs/dbraw/zinc/24/92/17/601249217.db2.gz KJHAWXRYFPNZAH-NWDGAFQWSA-N -1 0 389.383 3.134 20 5 GGBDRM Cc1ccc([C@@H](C)N(C)c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000832922098 601249431 /nfs/dbraw/zinc/24/94/31/601249431.db2.gz UNMVODBZGXOFRY-ZIAGYGMSSA-N -1 0 385.420 3.304 20 5 GGBDRM Cc1ccc([C@H](C)N(C)c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000832922092 601249611 /nfs/dbraw/zinc/24/96/11/601249611.db2.gz UNMVODBZGXOFRY-KBPBESRZSA-N -1 0 385.420 3.304 20 5 GGBDRM C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000827942453 601250170 /nfs/dbraw/zinc/25/01/70/601250170.db2.gz SLLQIKICJISXOQ-NSHDSACASA-N -1 0 391.811 3.260 20 5 GGBDRM Cc1ccccc1[C@H](C)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977203 601250507 /nfs/dbraw/zinc/25/05/07/601250507.db2.gz PQWBRRVNXNPGJP-KBPBESRZSA-N -1 0 385.420 3.304 20 5 GGBDRM Cc1cccc([C@@H]2CCCN2c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832967789 601250509 /nfs/dbraw/zinc/25/05/09/601250509.db2.gz JFAQGJDAWASCAZ-INIZCTEOSA-N -1 0 383.404 3.059 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCc1nc2ccccc2[nH]1 ZINC000833306806 601251675 /nfs/dbraw/zinc/25/16/75/601251675.db2.gz IGOMZKBDFIQWPR-UHFFFAOYSA-N -1 0 385.336 3.122 20 5 GGBDRM CC(C)(C(=O)[O-])c1ccc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000826127199 601265753 /nfs/dbraw/zinc/26/57/53/601265753.db2.gz PUQLNBAVJBSCDM-KRWDZBQOSA-N -1 0 383.404 3.174 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1OC ZINC000830050114 601277229 /nfs/dbraw/zinc/27/72/29/601277229.db2.gz XVEAAFSPZUXYAG-UHFFFAOYSA-N -1 0 394.424 3.156 20 5 GGBDRM O=C([O-])c1cc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000833300774 601287720 /nfs/dbraw/zinc/28/77/20/601287720.db2.gz PGNOHWFRIUGTLQ-QGZVFWFLSA-N -1 0 387.367 3.035 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832481424 601308676 /nfs/dbraw/zinc/30/86/76/601308676.db2.gz GSODGOFGLNRAIF-ZDUSSCGKSA-N -1 0 377.328 3.080 20 5 GGBDRM Cn1cc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833051196 601322294 /nfs/dbraw/zinc/32/22/94/601322294.db2.gz CKQCZCRHVAOIGP-UHFFFAOYSA-N -1 0 394.387 3.496 20 5 GGBDRM COc1ccccc1C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000485736542 601371995 /nfs/dbraw/zinc/37/19/95/601371995.db2.gz JHMLWUGFKOVAEX-KRWDZBQOSA-N -1 0 386.404 3.299 20 5 GGBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000827889991 601373174 /nfs/dbraw/zinc/37/31/74/601373174.db2.gz JZBBNZSQNQIEMX-WDEREUQCSA-N -1 0 376.340 3.077 20 5 GGBDRM NC(=O)C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000833082950 601383885 /nfs/dbraw/zinc/38/38/85/601383885.db2.gz KSFDUBULUKKPCV-KEDPEKRHSA-N -1 0 389.795 3.375 20 5 GGBDRM Cc1cc([C@@H](C)Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000832871281 601384606 /nfs/dbraw/zinc/38/46/06/601384606.db2.gz ALKDZZRKBPWYOR-LLVKDONJSA-N -1 0 375.356 3.030 20 5 GGBDRM Cc1cc([C@H](C)Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000832871284 601384611 /nfs/dbraw/zinc/38/46/11/601384611.db2.gz ALKDZZRKBPWYOR-NSHDSACASA-N -1 0 375.356 3.030 20 5 GGBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237629826 601391830 /nfs/dbraw/zinc/39/18/30/601391830.db2.gz BRFPZJLIOKWTSF-LIRRHRJNSA-N -1 0 397.431 3.387 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237760019 601391840 /nfs/dbraw/zinc/39/18/40/601391840.db2.gz BRFPZJLIOKWTSF-KUHUBIRLSA-N -1 0 397.431 3.387 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237680167 601391947 /nfs/dbraw/zinc/39/19/47/601391947.db2.gz BRFPZJLIOKWTSF-AUUYWEPGSA-N -1 0 397.431 3.387 20 5 GGBDRM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000832920898 601399433 /nfs/dbraw/zinc/39/94/33/601399433.db2.gz JUGKVLAGYLGJLX-JTQLQIEISA-N -1 0 398.824 3.294 20 5 GGBDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832920843 601399436 /nfs/dbraw/zinc/39/94/36/601399436.db2.gz IGIQUTDLSQRAER-BCRSCGJKSA-N -1 0 390.417 3.041 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000833136298 601402406 /nfs/dbraw/zinc/40/24/06/601402406.db2.gz ZJBJPUOGHJQOJK-LLVKDONJSA-N -1 0 380.759 3.061 20 5 GGBDRM O=C([O-])c1ccc(-c2ccc(C(=O)OCCn3ccc([N+](=O)[O-])n3)cc2)cc1 ZINC000833309082 601403678 /nfs/dbraw/zinc/40/36/78/601403678.db2.gz YHDRAEIWMJANOA-UHFFFAOYSA-N -1 0 381.344 3.014 20 5 GGBDRM CCOC(=O)c1sc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nc1C ZINC000829895022 601410310 /nfs/dbraw/zinc/41/03/10/601410310.db2.gz BLOQJIJTEZLFNT-ALCCZGGFSA-N -1 0 391.405 3.246 20 5 GGBDRM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830157256 601410559 /nfs/dbraw/zinc/41/05/59/601410559.db2.gz GRIFUQLZMGVZOR-HZUKXOBISA-N -1 0 395.481 3.274 20 5 GGBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(C2CCCCC2)no1 ZINC000827695004 601411227 /nfs/dbraw/zinc/41/12/27/601411227.db2.gz MICYAMJBBGTWTI-JTQLQIEISA-N -1 0 388.380 3.215 20 5 GGBDRM Cc1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000832921696 601427805 /nfs/dbraw/zinc/42/78/05/601427805.db2.gz VHPPZAQLGBNZQL-CYBMUJFWSA-N -1 0 381.388 3.434 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000593922567 601433975 /nfs/dbraw/zinc/43/39/75/601433975.db2.gz OQJWRUDKIDZBFA-ZDUSSCGKSA-N -1 0 398.419 3.290 20 5 GGBDRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2n1C ZINC000832851482 601449752 /nfs/dbraw/zinc/44/97/52/601449752.db2.gz BRQPRWPYXFJPGR-UHFFFAOYSA-N -1 0 399.315 3.221 20 5 GGBDRM O=C([O-])CCc1nc(COc2ccc(Cc3ccccc3)cc2[N+](=O)[O-])no1 ZINC000833242517 601474517 /nfs/dbraw/zinc/47/45/17/601474517.db2.gz SRMAZAZNJDMSPE-UHFFFAOYSA-N -1 0 383.360 3.165 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262488522 601483604 /nfs/dbraw/zinc/48/36/04/601483604.db2.gz FUGFICBZQOBXQV-YVEFUNNKSA-N -1 0 386.429 3.286 20 5 GGBDRM 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394.387 3.278 20 5 GGBDRM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000145929110 1417705146 /nfs/dbraw/zinc/70/51/46/1417705146.db2.gz FLHOGKYZPOYIPI-UHFFFAOYSA-N -1 0 394.796 3.407 20 5 GGBDRM Cc1coc(-c2cc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2C)n1 ZINC000150804193 1417810009 /nfs/dbraw/zinc/81/00/09/1417810009.db2.gz IGGPRAQCZIOTTO-UHFFFAOYSA-N -1 0 389.389 3.373 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)c1C ZINC000150874601 1417825801 /nfs/dbraw/zinc/82/58/01/1417825801.db2.gz HPWDROYGVKZLIZ-UHFFFAOYSA-N -1 0 391.449 3.023 20 5 GGBDRM O=C(C=Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403100 1429218970 /nfs/dbraw/zinc/21/89/70/1429218970.db2.gz JVFWXRJBQRMKIV-AATRIKPKSA-N -1 0 388.746 3.219 20 5 GGBDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000151437376 1417968603 /nfs/dbraw/zinc/96/86/03/1417968603.db2.gz XQYVQNQKCOHKAD-UHFFFAOYSA-N -1 0 382.482 3.190 20 5 GGBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1 ZINC000151463727 1417984719 /nfs/dbraw/zinc/98/47/19/1417984719.db2.gz XTADTAYNXVBAEJ-UHFFFAOYSA-N -1 0 390.442 3.112 20 5 GGBDRM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000151559527 1418024512 /nfs/dbraw/zinc/02/45/12/1418024512.db2.gz BJPIHLUAXLHANG-LLVKDONJSA-N -1 0 391.380 3.428 20 5 GGBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000151571316 1418028192 /nfs/dbraw/zinc/02/81/92/1418028192.db2.gz PRCVABNKCLRZDC-NSHDSACASA-N -1 0 391.380 3.428 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1C ZINC000152210843 1418174073 /nfs/dbraw/zinc/17/40/73/1418174073.db2.gz NOEVCJXJMXOADB-UHFFFAOYSA-N -1 0 375.328 3.426 20 5 GGBDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1Br ZINC000152231629 1418179776 /nfs/dbraw/zinc/17/97/76/1418179776.db2.gz RRESRSGICBQENL-UHFFFAOYSA-N -1 0 386.227 3.049 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)c1C 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O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000738360462 1429821158 /nfs/dbraw/zinc/82/11/58/1429821158.db2.gz PXFWKRLBRVJHIK-UHFFFAOYSA-N -1 0 399.367 3.256 20 5 GGBDRM CCc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000825704799 1429832937 /nfs/dbraw/zinc/83/29/37/1429832937.db2.gz NIPUQDWZMBNARN-UHFFFAOYSA-N -1 0 386.799 3.172 20 5 GGBDRM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822983869 1429837754 /nfs/dbraw/zinc/83/77/54/1429837754.db2.gz VOJQEAFZWAOJAK-UHFFFAOYSA-N -1 0 398.448 3.287 20 5 GGBDRM Cc1ccc([C@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822229051 1429917354 /nfs/dbraw/zinc/91/73/54/1429917354.db2.gz LEHCPZDEJJRRAC-NSHDSACASA-N -1 0 383.437 3.131 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738359026 1429953476 /nfs/dbraw/zinc/95/34/76/1429953476.db2.gz ILLSJYZYRQUMKP-UHFFFAOYSA-N -1 0 393.176 3.289 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CC=C(c2ccc(F)cc2)CC1 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Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000181786618 1430359929 /nfs/dbraw/zinc/35/99/29/1430359929.db2.gz PSNLIHVUDKRCGA-UHFFFAOYSA-N -1 0 376.369 3.029 20 5 GGBDRM C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)O1 ZINC000181893076 1430378865 /nfs/dbraw/zinc/37/88/65/1430378865.db2.gz ORANSQOOPFKBFU-ZIAGYGMSSA-N -1 0 385.420 3.162 20 5 GGBDRM O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182128889 1430416775 /nfs/dbraw/zinc/41/67/75/1430416775.db2.gz YJKSXECCSBBOHE-UHFFFAOYSA-N -1 0 393.281 3.152 20 5 GGBDRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182191226 1430427441 /nfs/dbraw/zinc/42/74/41/1430427441.db2.gz MYJVMVVTTVVFKQ-MRVPVSSYSA-N -1 0 386.330 3.167 20 5 GGBDRM Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000182265296 1430439593 /nfs/dbraw/zinc/43/95/93/1430439593.db2.gz HCSKRELCCMWERH-UHFFFAOYSA-N -1 0 391.327 3.040 20 5 GGBDRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182444249 1430468498 /nfs/dbraw/zinc/46/84/98/1430468498.db2.gz CRIDQRZXGKSPME-MRVPVSSYSA-N -1 0 386.330 3.418 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000182487560 1430475730 /nfs/dbraw/zinc/47/57/30/1430475730.db2.gz RNCCEXMGKWCNRV-UHFFFAOYSA-N -1 0 375.362 3.059 20 5 GGBDRM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2[nH]1 ZINC000182498201 1430478456 /nfs/dbraw/zinc/47/84/56/1430478456.db2.gz LLOKHYSDLLSAEI-UHFFFAOYSA-N -1 0 387.417 3.108 20 5 GGBDRM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000182571576 1430495144 /nfs/dbraw/zinc/49/51/44/1430495144.db2.gz RXHLAAAADJDXCV-UHFFFAOYSA-N -1 0 386.433 3.212 20 5 GGBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nn1-c1cccc(F)c1 ZINC000182840969 1430551365 /nfs/dbraw/zinc/55/13/65/1430551365.db2.gz SUTKPWJEWLLICE-UHFFFAOYSA-N -1 0 390.396 3.337 20 5 GGBDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4cc([N+](=O)[O-])ccc4n3)ccc2O1 ZINC000183129609 1430623091 /nfs/dbraw/zinc/62/30/91/1430623091.db2.gz LZECQOPFPLPUDF-LLVKDONJSA-N -1 0 385.401 3.267 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000183346970 1430684232 /nfs/dbraw/zinc/68/42/32/1430684232.db2.gz DNLXPVKEJNOPOU-UHFFFAOYSA-N -1 0 389.389 3.368 20 5 GGBDRM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183387791 1430697943 /nfs/dbraw/zinc/69/79/43/1430697943.db2.gz MWQRVKMURQKWNU-KRWDZBQOSA-N -1 0 379.800 3.326 20 5 GGBDRM C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)O1 ZINC000183426051 1430708541 /nfs/dbraw/zinc/70/85/41/1430708541.db2.gz HRLSEZHGCRZOAU-KBPBESRZSA-N -1 0 385.420 3.162 20 5 GGBDRM C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000183426662 1430708598 /nfs/dbraw/zinc/70/85/98/1430708598.db2.gz PMIJTRRQOBAVCV-KBPBESRZSA-N -1 0 385.420 3.162 20 5 GGBDRM 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ZINC000185427234 1431143155 /nfs/dbraw/zinc/14/31/55/1431143155.db2.gz UEGPGQFUEVTWIB-UHFFFAOYSA-N -1 0 383.404 3.425 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c2ncccc12 ZINC000185622220 1431186933 /nfs/dbraw/zinc/18/69/33/1431186933.db2.gz QGGVYNWZQZNPFA-UHFFFAOYSA-N -1 0 395.400 3.130 20 5 GGBDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185626721 1431188176 /nfs/dbraw/zinc/18/81/76/1431188176.db2.gz PCIUERZEPMZTBA-UHFFFAOYSA-N -1 0 393.450 3.138 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c2ncccc12 ZINC000185630352 1431188943 /nfs/dbraw/zinc/18/89/43/1431188943.db2.gz FNVWLCJVUFNETO-UHFFFAOYSA-N -1 0 387.421 3.325 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c2ncccc12 ZINC000185689685 1431206668 /nfs/dbraw/zinc/20/66/68/1431206668.db2.gz GRYBYUKJQDIIRB-UHFFFAOYSA-N -1 0 398.322 3.358 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)c(C(F)(F)F)nn1C ZINC000185960790 1431298507 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MKBWUAUTIPUSMM-HNNXBMFYSA-N -1 0 380.759 3.307 20 5 GGBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186329439 1431384278 /nfs/dbraw/zinc/38/42/78/1431384278.db2.gz ICQZTBDCXUOKAV-INIZCTEOSA-N -1 0 380.759 3.307 20 5 GGBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186378194 1431396249 /nfs/dbraw/zinc/39/62/49/1431396249.db2.gz HCCYKOPXPCZOHV-UHFFFAOYSA-N -1 0 390.396 3.337 20 5 GGBDRM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nnn[n-]1 ZINC000187270202 1431675135 /nfs/dbraw/zinc/67/51/35/1431675135.db2.gz FRHLMRZYKKOYFP-GFCCVEGCSA-N -1 0 398.448 3.135 20 5 GGBDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] ZINC000187299214 1431686827 /nfs/dbraw/zinc/68/68/27/1431686827.db2.gz QUPIZFCMKSJFLD-UHFFFAOYSA-N -1 0 393.352 3.198 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nnc(C(C)C)n3c2)c1C ZINC000187781300 1431811660 /nfs/dbraw/zinc/81/16/60/1431811660.db2.gz AENQHLBOYKIZMU-UHFFFAOYSA-N -1 0 389.437 3.179 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1[N+](=O)[O-] ZINC000189238210 1432069371 /nfs/dbraw/zinc/06/93/71/1432069371.db2.gz JVNBONBJHWVUQL-UHFFFAOYSA-N -1 0 384.417 3.469 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1[N+](=O)[O-] ZINC000189244725 1432070324 /nfs/dbraw/zinc/07/03/24/1432070324.db2.gz FANJSYBZSFXWGG-UHFFFAOYSA-N -1 0 389.433 3.361 20 5 GGBDRM CCc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000189460660 1432119250 /nfs/dbraw/zinc/11/92/50/1432119250.db2.gz QCOWVBOYSUYTDM-UHFFFAOYSA-N -1 0 386.433 3.452 20 5 GGBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190429021 1432380304 /nfs/dbraw/zinc/38/03/04/1432380304.db2.gz QVMZLGFYWHTQNJ-HOTGVXAUSA-N -1 0 397.214 3.338 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccn1 ZINC000190839934 1432503076 /nfs/dbraw/zinc/50/30/76/1432503076.db2.gz CCEPJUXYRHXGRA-UHFFFAOYSA-N -1 0 396.787 3.374 20 5 GGBDRM 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COc1ccc(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)cc1 ZINC000821790012 1449411877 /nfs/dbraw/zinc/41/18/77/1449411877.db2.gz DUXMBVMCKWSPIM-OAHLLOKOSA-N -1 0 394.435 3.243 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737367895 1449427668 /nfs/dbraw/zinc/42/76/68/1449427668.db2.gz CHXMXDYTCXPSLI-UHFFFAOYSA-N -1 0 380.408 3.386 20 5 GGBDRM Cc1c(CC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236629 1449488972 /nfs/dbraw/zinc/48/89/72/1449488972.db2.gz VIWCWKZFHSVPEU-UHFFFAOYSA-N -1 0 396.407 3.052 20 5 GGBDRM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000820455478 1449498133 /nfs/dbraw/zinc/49/81/33/1449498133.db2.gz IRSLLQVJZKJKCU-LBPRGKRZSA-N -1 0 376.380 3.134 20 5 GGBDRM O=[N+]([O-])c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)cc1-c1nn[n-]n1 ZINC000826498961 1449547880 /nfs/dbraw/zinc/54/78/80/1449547880.db2.gz PVNMWVLKUAHEIE-UHFFFAOYSA-N -1 0 398.398 3.074 20 5 GGBDRM O=[N+]([O-])c1cccc(CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)c1 ZINC000823647565 1449551106 /nfs/dbraw/zinc/55/11/06/1449551106.db2.gz MPCJFCJFDOUQHE-UHFFFAOYSA-N -1 0 395.448 3.136 20 5 GGBDRM COc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Br ZINC000737105460 1449651725 /nfs/dbraw/zinc/65/17/25/1449651725.db2.gz HCHQWXFGZVANBV-UHFFFAOYSA-N -1 0 391.185 3.290 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000738360427 1449659973 /nfs/dbraw/zinc/65/99/73/1449659973.db2.gz WPXYPHBMDLZHMU-UHFFFAOYSA-N -1 0 396.251 3.096 20 5 GGBDRM CC(C)(C)c1ccc2c(c1)CN(c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)CC2 ZINC000824136435 1449667317 /nfs/dbraw/zinc/66/73/17/1449667317.db2.gz RCCCKBIBJYPVPD-UHFFFAOYSA-N -1 0 379.424 3.030 20 5 GGBDRM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569723 1449676381 /nfs/dbraw/zinc/67/63/81/1449676381.db2.gz TUHKFDSGZQKJAA-WTKPLQERSA-N -1 0 384.783 3.105 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](CSc2ccccc2)C1 ZINC000823629606 1449704647 /nfs/dbraw/zinc/70/46/47/1449704647.db2.gz BMHQQSVTTYVNGZ-ZDUSSCGKSA-N -1 0 382.449 3.394 20 5 GGBDRM O=[N+]([O-])c1ccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738358264 1449764703 /nfs/dbraw/zinc/76/47/03/1449764703.db2.gz DIVRGLVOWXISEF-UHFFFAOYSA-N -1 0 381.377 3.117 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NCC3(c4ccccc4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000738367611 1449772810 /nfs/dbraw/zinc/77/28/10/1449772810.db2.gz WGZLSSALZDZRRC-UHFFFAOYSA-N -1 0 387.403 3.467 20 5 GGBDRM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000736115265 1449860219 /nfs/dbraw/zinc/86/02/19/1449860219.db2.gz GSSGSQOBRAOYOG-NSHDSACASA-N -1 0 398.427 3.214 20 5 GGBDRM C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155085 1449896679 /nfs/dbraw/zinc/89/66/79/1449896679.db2.gz GZOBMIHYNZZNRC-NSHDSACASA-N -1 0 385.405 3.171 20 5 GGBDRM CCOc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000825648840 1449912452 /nfs/dbraw/zinc/91/24/52/1449912452.db2.gz DKKQDDMZVHCINR-UHFFFAOYSA-N -1 0 388.771 3.079 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NCCc3cccc(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000738367002 1450018186 /nfs/dbraw/zinc/01/81/86/1450018186.db2.gz MUXUUBLUPDKLKI-UHFFFAOYSA-N -1 0 379.355 3.117 20 5 GGBDRM CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccc(-c3nn[n-]n3)c2)cc1OC ZINC000825067520 1450028729 /nfs/dbraw/zinc/02/87/29/1450028729.db2.gz LBZCMHOCKFRLSV-LBPRGKRZSA-N -1 0 386.412 3.058 20 5 GGBDRM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000820455474 1450150090 /nfs/dbraw/zinc/15/00/90/1450150090.db2.gz IRSLLQVJZKJKCU-GFCCVEGCSA-N -1 0 376.380 3.134 20 5 GGBDRM Cc1c(NC(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822061509 1450157138 /nfs/dbraw/zinc/15/71/38/1450157138.db2.gz OPSUJPWPJNXPCT-LLVKDONJSA-N -1 0 384.421 3.203 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000823630073 1450206969 /nfs/dbraw/zinc/20/69/69/1450206969.db2.gz QQGOLJMMUPDGAP-CYBMUJFWSA-N -1 0 386.437 3.022 20 5 GGBDRM COc1ccc(OC)c([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1 ZINC000826211279 1450223679 /nfs/dbraw/zinc/22/36/79/1450223679.db2.gz WHKVBSFITNYCTC-MRXNPFEDSA-N -1 0 396.407 3.134 20 5 GGBDRM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826468384 1450253267 /nfs/dbraw/zinc/25/32/67/1450253267.db2.gz OAMZBLWNGBHMCE-UHFFFAOYSA-N -1 0 397.244 3.152 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCO[C@H]1CCCc2ccccc21 ZINC000823624929 1450345320 /nfs/dbraw/zinc/34/53/20/1450345320.db2.gz LFQMVIZSNWPGSS-INIZCTEOSA-N -1 0 395.423 3.066 20 5 GGBDRM Cc1cc(Oc2ccc(Br)cc2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC000822211537 1450396040 /nfs/dbraw/zinc/39/60/40/1450396040.db2.gz DCJGLSXIQKTROQ-UHFFFAOYSA-N -1 0 377.158 3.033 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826293720 1450402048 /nfs/dbraw/zinc/40/20/48/1450402048.db2.gz ZFJPSDNZUWWKNE-UHFFFAOYSA-N -1 0 390.403 3.013 20 5 GGBDRM COc1ccc(CSCC(=O)NC2(C(=O)[O-])CCCCCC2)cc1[N+](=O)[O-] ZINC000262197387 939061809 /nfs/dbraw/zinc/06/18/09/939061809.db2.gz IRQZKOOFYTZJQG-UHFFFAOYSA-N -1 0 396.465 3.130 20 5 GGBDRM Cc1cc([C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(=O)[O-])ccc1F ZINC000263030695 939094413 /nfs/dbraw/zinc/09/44/13/939094413.db2.gz MTTBGUIJVLZRSJ-GOSISDBHSA-N -1 0 389.383 3.177 20 5 GGBDRM CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000263054378 939096103 /nfs/dbraw/zinc/09/61/03/939096103.db2.gz OCOXDASRVYPSLU-GOSISDBHSA-N -1 0 384.388 3.209 20 5 GGBDRM Cc1cc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC000263093957 939099379 /nfs/dbraw/zinc/09/93/79/939099379.db2.gz QQJZTBMSQTTZLF-KRWDZBQOSA-N -1 0 387.367 3.172 20 5 GGBDRM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000431874427 939166436 /nfs/dbraw/zinc/16/64/36/939166436.db2.gz YVRYAKDTVNMLHO-HXUWFJFHSA-N -1 0 393.399 3.126 20 5 GGBDRM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000431890893 939170319 /nfs/dbraw/zinc/17/03/19/939170319.db2.gz UPCCYXHGRKNCFL-GOSISDBHSA-N -1 0 380.356 3.312 20 5 GGBDRM O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000797727671 939190721 /nfs/dbraw/zinc/19/07/21/939190721.db2.gz QJJNDTNNDYXOLO-LJQANCHMSA-N -1 0 393.399 3.416 20 5 GGBDRM CC[C@@](NC(=O)COc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507319166 939235469 /nfs/dbraw/zinc/23/54/69/939235469.db2.gz OIXGRXQXVHKPGL-SFHVURJKSA-N -1 0 392.795 3.133 20 5 GGBDRM CC[C@](NC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507321324 939235875 /nfs/dbraw/zinc/23/58/75/939235875.db2.gz XNFVLKVDIWGXLI-GOSISDBHSA-N -1 0 376.796 3.297 20 5 GGBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCO2 ZINC000515278759 939240456 /nfs/dbraw/zinc/24/04/56/939240456.db2.gz CTGMEQZWJHZPPY-OAHLLOKOSA-N -1 0 391.767 3.131 20 5 GGBDRM O=C([O-])C1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)Cc2ccccc2C1 ZINC000532253707 939261882 /nfs/dbraw/zinc/26/18/82/939261882.db2.gz PGSOSDNUNFQQGW-UHFFFAOYSA-N -1 0 382.397 3.162 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000533184130 939264838 /nfs/dbraw/zinc/26/48/38/939264838.db2.gz MQJHYRRJJIFYQV-CYBMUJFWSA-N -1 0 398.419 3.290 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000537402768 939268529 /nfs/dbraw/zinc/26/85/29/939268529.db2.gz JSKPHTCIZGCVLW-INIZCTEOSA-N -1 0 394.330 3.071 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000537410680 939271031 /nfs/dbraw/zinc/27/10/31/939271031.db2.gz HKZRAKDSSDWWAT-AWEZNQCLSA-N -1 0 380.303 3.060 20 5 GGBDRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000537413895 939271758 /nfs/dbraw/zinc/27/17/58/939271758.db2.gz VBHCTSHSRLMSEK-CQSZACIVSA-N -1 0 380.303 3.060 20 5 GGBDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC000563422247 939338756 /nfs/dbraw/zinc/33/87/56/939338756.db2.gz FCURZERMBHKCIP-QEORTHHSSA-N -1 0 378.425 3.106 20 5 GGBDRM CC[C@](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)(C(=O)[O-])c1ccccc1 ZINC000563729914 939340491 /nfs/dbraw/zinc/34/04/91/939340491.db2.gz IOTZZAIANWPHHQ-HXUWFJFHSA-N -1 0 381.388 3.125 20 5 GGBDRM Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000575243337 939732906 /nfs/dbraw/zinc/73/29/06/939732906.db2.gz LCJWXIFHMJFSLK-KPZWWZAWSA-N -1 0 399.403 3.024 20 5 GGBDRM COc1ccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1Cl ZINC000575975661 939735585 /nfs/dbraw/zinc/73/55/85/939735585.db2.gz LVCRAJNDLMWAJA-AWEZNQCLSA-N -1 0 379.756 3.204 20 5 GGBDRM COc1ccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Cl ZINC000577043546 939743986 /nfs/dbraw/zinc/74/39/86/939743986.db2.gz FLUXDRYLDNVEBD-CQSZACIVSA-N -1 0 379.756 3.204 20 5 GGBDRM O=C([O-])[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000588388064 939800428 /nfs/dbraw/zinc/80/04/28/939800428.db2.gz WCPMYJUZZHSFEK-HQOGMNCSSA-N -1 0 378.743 3.343 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000588388065 939800655 /nfs/dbraw/zinc/80/06/55/939800655.db2.gz WCPMYJUZZHSFEK-XOYTVWKISA-N -1 0 378.743 3.343 20 5 GGBDRM CC[C@H](OC1CCCCC1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872211 939803900 /nfs/dbraw/zinc/80/39/00/939803900.db2.gz DFIXAKXOAPRCTR-QFBILLFUSA-N -1 0 378.425 3.139 20 5 GGBDRM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872270 939804305 /nfs/dbraw/zinc/80/43/05/939804305.db2.gz DVGPRVAGTZYZNJ-PXNSSMCTSA-N -1 0 386.404 3.177 20 5 GGBDRM C[C@@H](SCc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873934 939804650 /nfs/dbraw/zinc/80/46/50/939804650.db2.gz HJZOTPQSGDQPSK-BFUOFWGJSA-N -1 0 388.445 3.333 20 5 GGBDRM C[C@](NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874119 939804659 /nfs/dbraw/zinc/80/46/59/939804659.db2.gz IGANHKZNJJVCJD-ABSDTBQOSA-N -1 0 386.379 3.344 20 5 GGBDRM C[C@@H](SCc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873941 939804672 /nfs/dbraw/zinc/80/46/72/939804672.db2.gz HJZOTPQSGDQPSK-YJYMSZOUSA-N -1 0 388.445 3.333 20 5 GGBDRM Cc1cccc(OCCCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600874692 939804984 /nfs/dbraw/zinc/80/49/84/939804984.db2.gz KCGKEXMVVMCHOE-FQEVSTJZSA-N -1 0 386.404 3.178 20 5 GGBDRM C[C@@](NC(=O)[C@H]1SCCc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875840 939805452 /nfs/dbraw/zinc/80/54/52/939805452.db2.gz ORUTYFKPKVKSDD-LPHOPBHVSA-N -1 0 386.429 3.041 20 5 GGBDRM C[C@](NC(=O)[C@H]1SCCc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876241 939805557 /nfs/dbraw/zinc/80/55/57/939805557.db2.gz ORUTYFKPKVKSDD-QFBILLFUSA-N -1 0 386.429 3.041 20 5 GGBDRM COc1ccccc1[C@@H](C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876296 939805603 /nfs/dbraw/zinc/80/56/03/939805603.db2.gz PJNOSBXHNTYKCA-RBZFPXEDSA-N -1 0 386.404 3.213 20 5 GGBDRM Cc1nc(C(C)C)sc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877266 939805821 /nfs/dbraw/zinc/80/58/21/939805821.db2.gz QMPXAWMKYZUSFN-KRWDZBQOSA-N -1 0 377.422 3.213 20 5 GGBDRM C[C@](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877065 939805897 /nfs/dbraw/zinc/80/58/97/939805897.db2.gz QZZRDCUUMKEFHW-ZRGWGRIASA-N -1 0 390.342 3.093 20 5 GGBDRM C[C@@](NC(=O)CCCOc1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877797 939805899 /nfs/dbraw/zinc/80/58/99/939805899.db2.gz UVCVUXLRMYCAHW-IBGZPJMESA-N -1 0 390.367 3.009 20 5 GGBDRM CC(C)(C)c1ncc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000600878559 939806277 /nfs/dbraw/zinc/80/62/77/939806277.db2.gz YEGGHVSJKXZVKG-QGZVFWFLSA-N -1 0 377.422 3.079 20 5 GGBDRM C[C@](NC(=O)C[C@H]1CCc2ccccc2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880210 939806798 /nfs/dbraw/zinc/80/67/98/939806798.db2.gz YPULYPUEADAYHG-LHSJRXKWSA-N -1 0 382.416 3.206 20 5 GGBDRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC000600880568 939806997 /nfs/dbraw/zinc/80/69/97/939806997.db2.gz LEGMDQKYEAIVBK-UEXGIBASSA-N -1 0 382.416 3.431 20 5 GGBDRM C[C@](NC(=O)c1ccc(C2CCOCC2)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882699 939807200 /nfs/dbraw/zinc/80/72/00/939807200.db2.gz VCJPQCBSADSXHY-OAQYLSRUSA-N -1 0 398.415 3.219 20 5 GGBDRM O=C([O-])[C@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCc2ccccc21 ZINC000610846199 939808112 /nfs/dbraw/zinc/80/81/12/939808112.db2.gz QOGAERDRVFMNOF-IBGZPJMESA-N -1 0 382.397 3.466 20 5 GGBDRM C[C@@](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000617703014 939809254 /nfs/dbraw/zinc/80/92/54/939809254.db2.gz XXSJZZBTWZBVEX-KRWDZBQOSA-N -1 0 394.836 3.457 20 5 GGBDRM 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ZINC000565040967 974564552 /nfs/dbraw/zinc/56/45/52/974564552.db2.gz IBHZQGIVWCOWNJ-UHFFFAOYSA-N -1 0 389.437 3.167 20 5 GGBDRM O=C([O-])c1cnc(NCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000565038658 974564563 /nfs/dbraw/zinc/56/45/63/974564563.db2.gz SQCXCDOAEFMZCS-UHFFFAOYSA-N -1 0 379.756 3.115 20 5 GGBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000565042183 974565400 /nfs/dbraw/zinc/56/54/00/974565400.db2.gz XROYXTCQMQZCFC-CYBMUJFWSA-N -1 0 383.404 3.211 20 5 GGBDRM O=C([O-])c1cccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1Cl ZINC000565101493 974567952 /nfs/dbraw/zinc/56/79/52/974567952.db2.gz MNGYAXBZGMUIJC-UHFFFAOYSA-N -1 0 375.812 3.269 20 5 GGBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000566177961 974597413 /nfs/dbraw/zinc/59/74/13/974597413.db2.gz VKLHYPCGMQXZGC-UHFFFAOYSA-N -1 0 382.438 3.028 20 5 GGBDRM Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000566180342 974597845 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VDBCNAFQDZQUSO-UHFFFAOYSA-N -1 0 392.433 3.123 20 5 GGBDRM COc1cccc(N2CCC[C@H](Nc3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])C2)c1 ZINC000567739208 974640345 /nfs/dbraw/zinc/64/03/45/974640345.db2.gz FQOMQFSFKBJBSW-ZDUSSCGKSA-N -1 0 386.408 3.086 20 5 GGBDRM CC[C@H](C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC000567970875 974650245 /nfs/dbraw/zinc/65/02/45/974650245.db2.gz VATPIIGOQQXGHF-YOEHRIQHSA-N -1 0 380.444 3.160 20 5 GGBDRM Cc1cc(NCCCS(=O)(=O)Cc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568399715 974669909 /nfs/dbraw/zinc/66/99/09/974669909.db2.gz ZJVCQAOGPRKMNN-UHFFFAOYSA-N -1 0 392.433 3.018 20 5 GGBDRM Cc1cc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572002975 974740170 /nfs/dbraw/zinc/74/01/70/974740170.db2.gz HBPNGVLVGJOAJH-GFCCVEGCSA-N -1 0 392.433 3.202 20 5 GGBDRM Cc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000572845394 974755038 /nfs/dbraw/zinc/75/50/38/974755038.db2.gz QGOPMACFBUHSFU-OAHLLOKOSA-N -1 0 387.392 3.166 20 5 GGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000574881859 974790006 /nfs/dbraw/zinc/79/00/06/974790006.db2.gz YGTCXDYFQUSBTK-NSHDSACASA-N -1 0 388.449 3.407 20 5 GGBDRM CSc1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000575049146 974793975 /nfs/dbraw/zinc/79/39/75/974793975.db2.gz SWKAHINIVPFDEH-UHFFFAOYSA-N -1 0 387.417 3.217 20 5 GGBDRM C[C@@H]1CN([C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c2cccs2)CCO1 ZINC000575805178 974802207 /nfs/dbraw/zinc/80/22/07/974802207.db2.gz ILWDFSQIKKEPLK-MLGOLLRUSA-N -1 0 391.449 3.228 20 5 GGBDRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000576639990 974819612 /nfs/dbraw/zinc/81/96/12/974819612.db2.gz MQXYDAXYNJAQBW-NRFANRHFSA-N -1 0 397.431 3.042 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000576994236 974827011 /nfs/dbraw/zinc/82/70/11/974827011.db2.gz LXXRSSZXITYCGT-SNVBAGLBSA-N -1 0 399.329 3.053 20 5 GGBDRM 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ZINC000581826881 974915869 /nfs/dbraw/zinc/91/58/69/974915869.db2.gz TUIISWZDMPJQPP-AWEZNQCLSA-N -1 0 385.420 3.185 20 5 GGBDRM Cc1ccc(C(=O)C2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)c(C)c1 ZINC000582184238 974922091 /nfs/dbraw/zinc/92/20/91/974922091.db2.gz RMJUDHBYBBDGDC-UHFFFAOYSA-N -1 0 383.404 3.404 20 5 GGBDRM O=C([O-])c1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000583089408 974935351 /nfs/dbraw/zinc/93/53/51/974935351.db2.gz DPPFMNUJGGNLBN-UHFFFAOYSA-N -1 0 375.812 3.269 20 5 GGBDRM COc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000583132894 974936147 /nfs/dbraw/zinc/93/61/47/974936147.db2.gz YTQGTFXQIJLFON-INIZCTEOSA-N -1 0 392.452 3.466 20 5 GGBDRM Cc1ccc2[nH]c([C@H]3CCCN(c4nccc(C(=O)[O-])c4[N+](=O)[O-])C3)nc2c1 ZINC000584722151 974957566 /nfs/dbraw/zinc/95/75/66/974957566.db2.gz IJRCZSGSVOFZNB-LBPRGKRZSA-N -1 0 381.392 3.257 20 5 GGBDRM O=C([O-])C1(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCOCC1 ZINC000592419561 974974540 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389.452 3.279 20 5 GGBDRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000595245898 974993216 /nfs/dbraw/zinc/99/32/16/974993216.db2.gz TXIHTAUFOBYTFF-IHRRRGAJSA-N -1 0 378.450 3.422 20 5 GGBDRM O=C([O-])C[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000595254173 974994478 /nfs/dbraw/zinc/99/44/78/974994478.db2.gz YYDHHJBVXNHNRC-KRWDZBQOSA-N -1 0 397.431 3.438 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC3(CCc4ccccc4O3)CC2)n1 ZINC000595280334 974995195 /nfs/dbraw/zinc/99/51/95/974995195.db2.gz CZQOOGFHMPRCSH-UHFFFAOYSA-N -1 0 383.404 3.361 20 5 GGBDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 ZINC000598585183 975000236 /nfs/dbraw/zinc/00/02/36/975000236.db2.gz WMXCGHMTABTKAU-OAHLLOKOSA-N -1 0 392.433 3.014 20 5 GGBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598658335 975000484 /nfs/dbraw/zinc/00/04/84/975000484.db2.gz IYPPVCLPQZVUFL-AWEZNQCLSA-N -1 0 375.406 3.188 20 5 GGBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC000598660414 975000837 /nfs/dbraw/zinc/00/08/37/975000837.db2.gz RGYBMPXXTUZRMQ-UHFFFAOYSA-N -1 0 396.465 3.097 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000598659546 975001188 /nfs/dbraw/zinc/00/11/88/975001188.db2.gz VPQYNBKAOWZFJE-KRWDZBQOSA-N -1 0 389.452 3.301 20 5 GGBDRM CN(C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000600869508 975007747 /nfs/dbraw/zinc/00/77/47/975007747.db2.gz MRKODHDFKGLJMO-UHFFFAOYSA-N -1 0 384.388 3.143 20 5 GGBDRM Cc1ccc([C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C(=O)[O-])cc1 ZINC000600870757 975008400 /nfs/dbraw/zinc/00/84/00/975008400.db2.gz UMNFEWVUNSZMNF-SFHVURJKSA-N -1 0 382.416 3.310 20 5 GGBDRM O=C([O-])c1ccc(F)c2c1CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)CC2 ZINC000600876154 975010700 /nfs/dbraw/zinc/01/07/00/975010700.db2.gz SLIWILPNIPPOQH-UHFFFAOYSA-N -1 0 398.390 3.439 20 5 GGBDRM 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CC(C)Oc1c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cccc1C(=O)[O-] ZINC001591747099 975790131 /nfs/dbraw/zinc/79/01/31/975790131.db2.gz ZYAQOGPLEPRUMY-UHFFFAOYSA-N -1 0 388.332 3.061 20 5 GGBDRM CC(C)Oc1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591750913 975800513 /nfs/dbraw/zinc/80/05/13/975800513.db2.gz CXWOJOWIBAVILL-HNNXBMFYSA-N -1 0 378.425 3.393 20 5 GGBDRM CC(C)Oc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1[N+](=O)[O-] ZINC001591751130 975801492 /nfs/dbraw/zinc/80/14/92/975801492.db2.gz JKSVMGGHMRMUBF-MRXNPFEDSA-N -1 0 376.340 3.077 20 5 GGBDRM CC(C)Oc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)ccc1[N+](=O)[O-] ZINC001591751346 975804349 /nfs/dbraw/zinc/80/43/49/975804349.db2.gz QULMYVQOVKEJNF-UHFFFAOYSA-N -1 0 384.388 3.279 20 5 GGBDRM CC(C)Oc1cc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001591751337 975804930 /nfs/dbraw/zinc/80/49/30/975804930.db2.gz QGFKYGDTEXPVLH-UHFFFAOYSA-N -1 0 388.376 3.365 20 5 GGBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001591763402 975869352 /nfs/dbraw/zinc/86/93/52/975869352.db2.gz SLMAZHQSNINMLO-UHFFFAOYSA-N -1 0 392.339 3.237 20 5 GGBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001591771829 975900658 /nfs/dbraw/zinc/90/06/58/975900658.db2.gz KRLRXSDZVALAFO-UHFFFAOYSA-N -1 0 399.403 3.081 20 5 GGBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000692414481 976456403 /nfs/dbraw/zinc/45/64/03/976456403.db2.gz LVRGGPVHYNFZQC-UHFFFAOYSA-N -1 0 393.193 3.084 20 5 GGBDRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001591941912 976464303 /nfs/dbraw/zinc/46/43/03/976464303.db2.gz JNBSXNOYDLIJKL-BMGDILEWSA-N -1 0 390.436 3.203 20 5 GGBDRM CC(C)c1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001591942299 976468394 /nfs/dbraw/zinc/46/83/94/976468394.db2.gz OQWBAELYXGTKHI-NWDGAFQWSA-N -1 0 388.342 3.443 20 5 GGBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000692434637 976473172 /nfs/dbraw/zinc/47/31/72/976473172.db2.gz YEYIRUSGXHZOEF-UHFFFAOYSA-N -1 0 393.193 3.084 20 5 GGBDRM CC(C)c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001591969060 976568183 /nfs/dbraw/zinc/56/81/83/976568183.db2.gz XCYGHJALTKMOAH-UHFFFAOYSA-N -1 0 395.375 3.249 20 5 GGBDRM CC(C)c1cccc(N(CCO)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001591991940 976621295 /nfs/dbraw/zinc/62/12/95/976621295.db2.gz MTRSHQHVUHFQPB-UHFFFAOYSA-N -1 0 388.420 3.181 20 5 GGBDRM CC(C)c1ccccc1OC[C@@H](O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591999127 976647738 /nfs/dbraw/zinc/64/77/38/976647738.db2.gz XZFYPFMJTFZHTQ-CQSZACIVSA-N -1 0 375.377 3.235 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccnc1 ZINC001592303672 977658622 /nfs/dbraw/zinc/65/86/22/977658622.db2.gz FQPJZIHIGDLIJM-GOSISDBHSA-N -1 0 385.401 3.324 20 5 GGBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccnc1 ZINC001592303673 977658633 /nfs/dbraw/zinc/65/86/33/977658633.db2.gz FQPJZIHIGDLIJM-SFHVURJKSA-N -1 0 385.401 3.324 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccncc1 ZINC001592303797 977659909 /nfs/dbraw/zinc/65/99/09/977659909.db2.gz MSBDQXZYJDYGOM-MRXNPFEDSA-N -1 0 398.202 3.417 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC001592304342 977663239 /nfs/dbraw/zinc/66/32/39/977663239.db2.gz PZHDZILRBYRJMC-MRXNPFEDSA-N -1 0 397.309 3.129 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccncc1 ZINC001592304247 977663299 /nfs/dbraw/zinc/66/32/99/977663299.db2.gz LOQBPMGXHNJUSP-MRXNPFEDSA-N -1 0 397.309 3.129 20 5 GGBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(F)c1 ZINC001592304758 977666967 /nfs/dbraw/zinc/66/69/67/977666967.db2.gz PRILRZMNOGMRTE-IBGZPJMESA-N -1 0 385.351 3.335 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccncc1 ZINC001592305340 977671902 /nfs/dbraw/zinc/67/19/02/977671902.db2.gz ZOJUUEXHRZCOJV-MRXNPFEDSA-N -1 0 397.309 3.129 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC001592309350 977678883 /nfs/dbraw/zinc/67/88/83/977678883.db2.gz SBYNUEPNMPKZHU-OAHLLOKOSA-N -1 0 397.181 3.070 20 5 GGBDRM C[C@](CC(=O)[O-])(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccn1 ZINC001592328540 977747927 /nfs/dbraw/zinc/74/79/27/977747927.db2.gz LKCNHJYHELLXNC-MRXNPFEDSA-N -1 0 383.326 3.488 20 5 GGBDRM C[C@](CC(=O)[O-])(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592328950 977749818 /nfs/dbraw/zinc/74/98/18/977749818.db2.gz PETBZLPORBFPQA-QGZVFWFLSA-N -1 0 377.328 3.122 20 5 GGBDRM C[C@](CC(=O)[O-])(NCc1cc([N+](=O)[O-])ccc1Br)c1ccccn1 ZINC001592329122 977752951 /nfs/dbraw/zinc/75/29/51/977752951.db2.gz RJWVYDNTXSFRIU-MRXNPFEDSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@@H](CCC1CCCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001592476948 978239353 /nfs/dbraw/zinc/23/93/53/978239353.db2.gz FAZSKAVYWDUJMI-LBPRGKRZSA-N -1 0 384.454 3.320 20 5 GGBDRM C[C@](CCF)(NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592498395 978310560 /nfs/dbraw/zinc/31/05/60/978310560.db2.gz RDKRCBAZUJEAPH-LJQANCHMSA-N -1 0 390.367 3.107 20 5 GGBDRM C[C@H](CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001592519392 978362673 /nfs/dbraw/zinc/36/26/73/978362673.db2.gz FGQCGEBKXXHILJ-GFCCVEGCSA-N -1 0 381.429 3.279 20 5 GGBDRM COC(=O)c1ccc(Oc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(Br)c1 ZINC000738048092 978470378 /nfs/dbraw/zinc/47/03/78/978470378.db2.gz MKFUNGVEPRUUJK-UHFFFAOYSA-N -1 0 397.137 3.029 20 5 GGBDRM C[C@@H](CN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001592575107 978477062 /nfs/dbraw/zinc/47/70/62/978477062.db2.gz GLWRWGISBBCNPH-UPZNUWHASA-N -1 0 379.413 3.360 20 5 GGBDRM C[C@H](CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C1CCCCC1 ZINC001592586544 978509943 /nfs/dbraw/zinc/50/99/43/978509943.db2.gz PHWRPELVGPGBKW-GFCCVEGCSA-N -1 0 384.454 3.130 20 5 GGBDRM O=C([O-])c1ccnc(NCc2ccc(OCc3ccccn3)cc2)c1[N+](=O)[O-] ZINC000738692860 978590082 /nfs/dbraw/zinc/59/00/82/978590082.db2.gz LXIAXMKPGUPYFY-UHFFFAOYSA-N -1 0 380.360 3.274 20 5 GGBDRM O=C([O-])c1ccnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000738692997 978590109 /nfs/dbraw/zinc/59/01/09/978590109.db2.gz FEKJHQVWMLAZHZ-UHFFFAOYSA-N -1 0 392.362 3.043 20 5 GGBDRM C[C@H](CNC(=O)N1CCOc2c(cccc2C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592659947 978643376 /nfs/dbraw/zinc/64/33/76/978643376.db2.gz KGNYTEOCUHKRMF-CYBMUJFWSA-N -1 0 399.403 3.001 20 5 GGBDRM C[C@@H](CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592660699 978645420 /nfs/dbraw/zinc/64/54/20/978645420.db2.gz UMYLXWCYAXPOSK-KBPBESRZSA-N -1 0 377.441 3.231 20 5 GGBDRM C[C@@H](CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592660701 978645485 /nfs/dbraw/zinc/64/54/85/978645485.db2.gz UMYLXWCYAXPOSK-UONOGXRCSA-N -1 0 377.441 3.231 20 5 GGBDRM Cc1cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc([N+](=O)[O-])c1F ZINC000758169802 978704728 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CDLRPWYJKQUOGT-UHFFFAOYSA-N -1 0 396.808 3.006 20 5 GGBDRM CC(C)(NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000793347628 978802648 /nfs/dbraw/zinc/80/26/48/978802648.db2.gz ZJEGZGGQAZDPGJ-UHFFFAOYSA-N -1 0 398.824 3.160 20 5 GGBDRM CC(C)(NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000793347627 978802687 /nfs/dbraw/zinc/80/26/87/978802687.db2.gz ZHQJLXRYZFSCRA-UHFFFAOYSA-N -1 0 398.824 3.160 20 5 GGBDRM CC[C@](C)(CC(=O)[O-])NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000828628249 978986386 /nfs/dbraw/zinc/98/63/86/978986386.db2.gz HZLJGEBEAUKQCX-CQSZACIVSA-N -1 0 394.371 3.465 20 5 GGBDRM COCc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000831812946 979034876 /nfs/dbraw/zinc/03/48/76/979034876.db2.gz HHFUIXIMODTKCI-CQSZACIVSA-N -1 0 385.420 3.155 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000832885881 979052372 /nfs/dbraw/zinc/05/23/72/979052372.db2.gz NXSCUBXBJJRZHG-UHFFFAOYSA-N -1 0 385.781 3.331 20 5 GGBDRM 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C[C@@H](Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1)C(=O)[O-] ZINC001592859535 979683450 /nfs/dbraw/zinc/68/34/50/979683450.db2.gz UVUJVYVJPUFJNY-NSHDSACASA-N -1 0 376.340 3.015 20 5 GGBDRM CC[C@](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)(C(=O)[O-])c1ccccc1 ZINC001595164237 979705482 /nfs/dbraw/zinc/70/54/82/979705482.db2.gz PDPSSIDQHMOECC-OAQYLSRUSA-N -1 0 393.399 3.305 20 5 GGBDRM C[C@H](Cc1ccc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1)C(=O)[O-] ZINC001592865686 979708730 /nfs/dbraw/zinc/70/87/30/979708730.db2.gz FYMCXHDWJZIYCA-CYBMUJFWSA-N -1 0 383.404 3.448 20 5 GGBDRM C[C@H](Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)C(=O)[O-] ZINC001592877963 979746947 /nfs/dbraw/zinc/74/69/47/979746947.db2.gz SJRPSSOSNNWJNB-CQSZACIVSA-N -1 0 384.436 3.334 20 5 GGBDRM C[C@@H](Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)C(=O)[O-] ZINC001592877962 979747145 /nfs/dbraw/zinc/74/71/45/979747145.db2.gz SJRPSSOSNNWJNB-AWEZNQCLSA-N -1 0 384.436 3.334 20 5 GGBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000864146815 979752235 /nfs/dbraw/zinc/75/22/35/979752235.db2.gz YWJOEEVUPXHHER-MRXNPFEDSA-N -1 0 382.294 3.227 20 5 GGBDRM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592906651 979847287 /nfs/dbraw/zinc/84/72/87/979847287.db2.gz HPGYSHSRLYOWSI-NSHDSACASA-N -1 0 381.344 3.020 20 5 GGBDRM C[C@@](CC(=O)[O-])(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000864198935 979872177 /nfs/dbraw/zinc/87/21/77/979872177.db2.gz OUDXWTCRELHINL-KRWDZBQOSA-N -1 0 375.406 3.092 20 5 GGBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000864229794 979925369 /nfs/dbraw/zinc/92/53/69/979925369.db2.gz YGWSXTDJGYHGHZ-GOSISDBHSA-N -1 0 385.420 3.428 20 5 GGBDRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000864229795 979926016 /nfs/dbraw/zinc/92/60/16/979926016.db2.gz YGWSXTDJGYHGHZ-SFHVURJKSA-N -1 0 385.420 3.428 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595211008 979987319 /nfs/dbraw/zinc/98/73/19/979987319.db2.gz BATOJQABCQENRX-GFCCVEGCSA-N -1 0 382.376 3.377 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595211568 979993199 /nfs/dbraw/zinc/99/31/99/979993199.db2.gz ILOZIDHAJICKRC-SJKOYZFVSA-N -1 0 392.358 3.384 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC001595213210 980005415 /nfs/dbraw/zinc/00/54/15/980005415.db2.gz SZAIMFIYSHXPOU-KDOFPFPSSA-N -1 0 386.404 3.114 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595213744 980009919 /nfs/dbraw/zinc/00/99/19/980009919.db2.gz WWZILUNEDRTAOX-KBXCAEBGSA-N -1 0 388.395 3.287 20 5 GGBDRM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001592989954 980175762 /nfs/dbraw/zinc/17/57/62/980175762.db2.gz LSNYISJCINVQPE-ZDUSSCGKSA-N -1 0 386.404 3.213 20 5 GGBDRM CC[C@](NC(=O)Cc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595246195 980181908 /nfs/dbraw/zinc/18/19/08/980181908.db2.gz VETLOPVDENZYEC-GOSISDBHSA-N -1 0 376.796 3.297 20 5 GGBDRM C[C@](NC(=O)C1(Cc2ccccc2F)CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592994461 980203955 /nfs/dbraw/zinc/20/39/55/980203955.db2.gz YZBNYEOIKBQATI-LJQANCHMSA-N -1 0 386.379 3.173 20 5 GGBDRM C[C@](NC(=O)/C=C/SCc1ccco1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009221 980235173 /nfs/dbraw/zinc/23/51/73/980235173.db2.gz OHFLFDDBWRRVOW-UGAXZCSASA-N -1 0 376.390 3.051 20 5 GGBDRM C[C@@](NC(=O)/C=C/SCc1ccco1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009219 980235296 /nfs/dbraw/zinc/23/52/96/980235296.db2.gz OHFLFDDBWRRVOW-LKUPDRCFSA-N -1 0 376.390 3.051 20 5 GGBDRM C[C@@](NC(=O)/C=C/c1nc2ccccc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010828 980244400 /nfs/dbraw/zinc/24/44/00/980244400.db2.gz KEYULZOLCLTCBK-YXBWYFRISA-N -1 0 397.412 3.334 20 5 GGBDRM C[C@](NC(=O)/C=C/c1nc2ccccc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010825 980244460 /nfs/dbraw/zinc/24/44/60/980244460.db2.gz KEYULZOLCLTCBK-JBVUFVISSA-N -1 0 397.412 3.334 20 5 GGBDRM C[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593020108 980278200 /nfs/dbraw/zinc/27/82/00/980278200.db2.gz UZKZSNRBWZNISI-DYVFJYSZSA-N -1 0 388.395 3.115 20 5 GGBDRM CC[C@](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)(C(=O)[O-])c1ccccc1 ZINC001595265890 980278508 /nfs/dbraw/zinc/27/85/08/980278508.db2.gz JQRRRVSNEJLFJJ-OAQYLSRUSA-N -1 0 393.399 3.450 20 5 GGBDRM C[C@H](NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001593036485 980314404 /nfs/dbraw/zinc/31/44/04/980314404.db2.gz NKCDSTNZUFOQPY-JTQLQIEISA-N -1 0 378.768 3.203 20 5 GGBDRM C[C@@](NC(=O)Cc1cccc(C(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593040140 980322590 /nfs/dbraw/zinc/32/25/90/980322590.db2.gz NGTLLYVXKWTCFR-KRWDZBQOSA-N -1 0 396.321 3.272 20 5 GGBDRM C[C@](NC(=O)Cc1ccc(Cl)c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593040079 980322717 /nfs/dbraw/zinc/32/27/17/980322717.db2.gz MABZORLRLVMDJH-QGZVFWFLSA-N -1 0 380.759 3.046 20 5 GGBDRM C[C@@](NC(=O)Cc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593040520 980324158 /nfs/dbraw/zinc/32/41/58/980324158.db2.gz RVWBXYRVOYAWEU-KRWDZBQOSA-N -1 0 396.321 3.272 20 5 GGBDRM C[C@](NC(=O)Cc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593040521 980324581 /nfs/dbraw/zinc/32/45/81/980324581.db2.gz RVWBXYRVOYAWEU-QGZVFWFLSA-N -1 0 396.321 3.272 20 5 GGBDRM C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593040768 980326299 /nfs/dbraw/zinc/32/62/99/980326299.db2.gz XOORVYBSDCGYIU-DYVFJYSZSA-N -1 0 395.415 3.067 20 5 GGBDRM C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593040770 980326353 /nfs/dbraw/zinc/32/63/53/980326353.db2.gz XOORVYBSDCGYIU-SUMWQHHRSA-N -1 0 395.415 3.067 20 5 GGBDRM C[C@](NC(=O)Cc1ccccc1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593044903 980333891 /nfs/dbraw/zinc/33/38/91/980333891.db2.gz SFDHMFKVVCMXEW-QGZVFWFLSA-N -1 0 396.321 3.272 20 5 GGBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001593050632 980343357 /nfs/dbraw/zinc/34/33/57/980343357.db2.gz DOSYOIBCYONNII-LLVKDONJSA-N -1 0 392.437 3.431 20 5 GGBDRM CC[C@@](NCC(=O)Nc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595288081 980373867 /nfs/dbraw/zinc/37/38/67/980373867.db2.gz ZUGLRYIGALLOSV-SFHVURJKSA-N -1 0 391.811 3.166 20 5 GGBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001595361145 980759268 /nfs/dbraw/zinc/75/92/68/980759268.db2.gz TWFNVZCOWKXEFB-GOSISDBHSA-N -1 0 397.431 3.022 20 5 GGBDRM CC[C@]1(C(=O)OC(C)(C)C)CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001595368625 980829392 /nfs/dbraw/zinc/82/93/92/980829392.db2.gz LMUVTXDYYXQCAC-SFHVURJKSA-N -1 0 379.413 3.026 20 5 GGBDRM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H](CC)O1 ZINC001595481097 981200616 /nfs/dbraw/zinc/20/06/16/981200616.db2.gz RVLOPGRSSIAVNG-OKILXGFUSA-N -1 0 396.465 3.191 20 5 GGBDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000908029570 981254630 /nfs/dbraw/zinc/25/46/30/981254630.db2.gz SYCLNUFMIYGHPL-GOSISDBHSA-N -1 0 380.444 3.160 20 5 GGBDRM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595492902 981256117 /nfs/dbraw/zinc/25/61/17/981256117.db2.gz ZJXJNEWZXHHTQF-INIZCTEOSA-N -1 0 383.404 3.034 20 5 GGBDRM CCC[C@](C)(NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595554403 981436750 /nfs/dbraw/zinc/43/67/50/981436750.db2.gz YVSIIULFJPLSEI-MNVSYLFESA-N -1 0 391.468 3.450 20 5 GGBDRM CCCC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1CC1CC1 ZINC001595618687 981668502 /nfs/dbraw/zinc/66/85/02/981668502.db2.gz FGKSBPPGIRYBTJ-INIZCTEOSA-N -1 0 377.372 3.349 20 5 GGBDRM CC[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001594770465 981739360 /nfs/dbraw/zinc/73/93/60/981739360.db2.gz QBYZHPDXICCYAU-HNNXBMFYSA-N -1 0 392.433 3.270 20 5 GGBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594792788 981863145 /nfs/dbraw/zinc/86/31/45/981863145.db2.gz RAWKIVHHHTUMRV-QGZVFWFLSA-N -1 0 386.351 3.302 20 5 GGBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594792787 981863669 /nfs/dbraw/zinc/86/36/69/981863669.db2.gz RAWKIVHHHTUMRV-KRWDZBQOSA-N -1 0 386.351 3.302 20 5 GGBDRM CCCC[C@@H](CNC(=O)OC(C)(C)C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001595633814 981877279 /nfs/dbraw/zinc/87/72/79/981877279.db2.gz XHDQWQLVBDLDAR-LBPRGKRZSA-N -1 0 382.417 3.183 20 5 GGBDRM CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595635915 981910417 /nfs/dbraw/zinc/91/04/17/981910417.db2.gz PHMTVOYUTYSREO-CQSZACIVSA-N -1 0 395.412 3.315 20 5 GGBDRM 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20 5 GGBDRM CC(C)(C)C[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001589751109 988049055 /nfs/dbraw/zinc/04/90/55/988049055.db2.gz IMUQZHZGUNYLSO-LLVKDONJSA-N -1 0 392.330 3.155 20 5 GGBDRM CC(C)(C)C[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001589752457 988062795 /nfs/dbraw/zinc/06/27/95/988062795.db2.gz WPGKJESHQULHQS-LBPRGKRZSA-N -1 0 377.422 3.338 20 5 GGBDRM CCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)cc1[N+](=O)[O-] ZINC001597503323 988071347 /nfs/dbraw/zinc/07/13/47/988071347.db2.gz PQYPJOCSUMZNIF-UHFFFAOYSA-N -1 0 395.371 3.421 20 5 GGBDRM CSCC[C@H](OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)[O-] ZINC001599798812 988140608 /nfs/dbraw/zinc/14/06/08/988140608.db2.gz XEBSECHXNUTUSB-NSHDSACASA-N -1 0 392.227 3.029 20 5 GGBDRM CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001589780199 988149325 /nfs/dbraw/zinc/14/93/25/988149325.db2.gz RQQGSSWYBFRMCZ-UHFFFAOYSA-N -1 0 394.424 3.123 20 5 GGBDRM CCc1ccc(N2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1Cl ZINC001597534835 988200660 /nfs/dbraw/zinc/20/06/60/988200660.db2.gz ALSYMFQSWDJSNU-UHFFFAOYSA-N -1 0 390.827 3.230 20 5 GGBDRM CSc1c(F)cccc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599806494 988264329 /nfs/dbraw/zinc/26/43/29/988264329.db2.gz XVDZGOYZVXPZQR-KRWDZBQOSA-N -1 0 378.381 3.186 20 5 GGBDRM CCc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C(=O)[O-])c1 ZINC001597550509 988268281 /nfs/dbraw/zinc/26/82/81/988268281.db2.gz GOGYPRCJESGAEU-UHFFFAOYSA-N -1 0 380.360 3.293 20 5 GGBDRM CCc1ccc(OS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001597557480 988297596 /nfs/dbraw/zinc/29/75/96/988297596.db2.gz IHMDEAHGMQOODG-UHFFFAOYSA-N -1 0 385.781 3.277 20 5 GGBDRM CCc1ccc(S(=O)(=O)N(CC)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001597557800 988299178 /nfs/dbraw/zinc/29/91/78/988299178.db2.gz SHFQCCMPMWOTKP-UHFFFAOYSA-N -1 0 378.406 3.071 20 5 GGBDRM CCc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC001597562343 988305223 /nfs/dbraw/zinc/30/52/23/988305223.db2.gz DKGOEMYKNBCCKC-UHFFFAOYSA-N -1 0 385.781 3.277 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001597563225 988312471 /nfs/dbraw/zinc/31/24/71/988312471.db2.gz BTJUCBNEJGCFLW-DLBZAZTESA-N -1 0 399.403 3.195 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001597563659 988317202 /nfs/dbraw/zinc/31/72/02/988317202.db2.gz RNNNLABJVWAVFQ-UHFFFAOYSA-N -1 0 399.403 3.454 20 5 GGBDRM CSc1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001599810086 988319243 /nfs/dbraw/zinc/31/92/43/988319243.db2.gz DNKBJYVFCJSMNL-UHFFFAOYSA-N -1 0 376.390 3.423 20 5 GGBDRM CSc1ccc(C(=O)Nc2c3cccnc3n(C)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599810160 988319829 /nfs/dbraw/zinc/31/98/29/988319829.db2.gz ITRLETDYXYOQJE-UHFFFAOYSA-N -1 0 386.389 3.154 20 5 GGBDRM CSc1ccc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001599810272 988322381 /nfs/dbraw/zinc/32/23/81/988322381.db2.gz NUQHJOXBJYIHPP-UHFFFAOYSA-N -1 0 375.358 3.055 20 5 GGBDRM CSc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1C(=O)[O-] ZINC001599817101 988446081 /nfs/dbraw/zinc/44/60/81/988446081.db2.gz GXWBBCCQWVCYBP-UHFFFAOYSA-N -1 0 390.373 3.038 20 5 GGBDRM CC(C)(C)OC(=O)[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])Cc2ccccc21 ZINC001589866001 988463830 /nfs/dbraw/zinc/46/38/30/988463830.db2.gz JKLLUHYAXQRTLF-HNNXBMFYSA-N -1 0 399.403 3.134 20 5 GGBDRM CC(C)(C)OC(=O)[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])Cc2ccccc21 ZINC001589867269 988485034 /nfs/dbraw/zinc/48/50/34/988485034.db2.gz VJIIGTGQTZBCDX-OAHLLOKOSA-N -1 0 399.403 3.134 20 5 GGBDRM CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001597611737 988510267 /nfs/dbraw/zinc/51/02/67/988510267.db2.gz PQVGNGJRPVJZIB-NSHDSACASA-N -1 0 386.360 3.039 20 5 GGBDRM CSc1cccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1[N+](=O)[O-] ZINC001599821475 988521989 /nfs/dbraw/zinc/52/19/89/988521989.db2.gz 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GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001599823047 988547795 /nfs/dbraw/zinc/54/77/95/988547795.db2.gz UUMXVNPMMMHIBG-CQSZACIVSA-N -1 0 378.381 3.402 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001599823046 988547970 /nfs/dbraw/zinc/54/79/70/988547970.db2.gz UUMXVNPMMMHIBG-AWEZNQCLSA-N -1 0 378.381 3.402 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001599823067 988548007 /nfs/dbraw/zinc/54/80/07/988548007.db2.gz WCLMZUCHBKNJKS-UHFFFAOYSA-N -1 0 390.392 3.353 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599823014 988548124 /nfs/dbraw/zinc/54/81/24/988548124.db2.gz RYOYHSPEOGBSLA-UHFFFAOYSA-N -1 0 390.417 3.052 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001599823080 988548887 /nfs/dbraw/zinc/54/88/87/988548887.db2.gz XDUJWCYACMFVKG-LJQANCHMSA-N -1 0 386.429 3.185 20 5 GGBDRM CSc1ccccc1NC(=O)CN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001599825354 988589162 /nfs/dbraw/zinc/58/91/62/988589162.db2.gz UYFDPNGIOCBEPJ-UHFFFAOYSA-N -1 0 389.433 3.398 20 5 GGBDRM CC(C)(C)OC(=O)N1CC(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001589930636 988695160 /nfs/dbraw/zinc/69/51/60/988695160.db2.gz XNLUFCJGESBLCI-UHFFFAOYSA-N -1 0 385.804 3.225 20 5 GGBDRM C[C@@H](NC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001599838672 988786449 /nfs/dbraw/zinc/78/64/49/988786449.db2.gz PSNTYJFKXNLYAE-ZYHUDNBSSA-N -1 0 390.421 3.010 20 5 GGBDRM C[C@@H](NC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001599838671 988786540 /nfs/dbraw/zinc/78/65/40/988786540.db2.gz PSNTYJFKXNLYAE-PWSUYJOCSA-N -1 0 390.421 3.010 20 5 GGBDRM CCc1nc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001597685264 988831156 /nfs/dbraw/zinc/83/11/56/988831156.db2.gz NTTXTLCQOWWYRU-UHFFFAOYSA-N -1 0 387.320 3.166 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC001590005260 988949576 /nfs/dbraw/zinc/94/95/76/988949576.db2.gz PDCLXMRUJIVYBR-UONOGXRCSA-N -1 0 391.424 3.129 20 5 GGBDRM C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599847563 988959292 /nfs/dbraw/zinc/95/92/92/988959292.db2.gz QZAGCSZIPMMSCE-JTQLQIEISA-N -1 0 398.824 3.328 20 5 GGBDRM CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC001590015753 988989195 /nfs/dbraw/zinc/98/91/95/988989195.db2.gz QLVAWXDVLWTPMV-LBPRGKRZSA-N -1 0 380.397 3.319 20 5 GGBDRM CC(C)(C)OC(=O)N1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590016442 988995063 /nfs/dbraw/zinc/99/50/63/988995063.db2.gz ZLFNGXACJORSFT-GFCCVEGCSA-N -1 0 379.413 3.352 20 5 GGBDRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Oc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001597790469 989310502 /nfs/dbraw/zinc/31/05/02/989310502.db2.gz CVRSONVIRUWAKG-UHFFFAOYSA-N -1 0 393.732 3.009 20 5 GGBDRM CC(C)(C)OC(=O)N[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001590124870 989355707 /nfs/dbraw/zinc/35/57/07/989355707.db2.gz BTIKATIQYVQBHI-HMZQOCAUSA-N -1 0 391.424 3.408 20 5 GGBDRM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001590146820 989421903 /nfs/dbraw/zinc/42/19/03/989421903.db2.gz GLROVGORYXPVSI-OAHLLOKOSA-N -1 0 393.440 3.028 20 5 GGBDRM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC001590146819 989422094 /nfs/dbraw/zinc/42/20/94/989422094.db2.gz GLROVGORYXPVSI-HNNXBMFYSA-N -1 0 393.440 3.028 20 5 GGBDRM CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597822647 989467257 /nfs/dbraw/zinc/46/72/57/989467257.db2.gz GVEOMZJKUMHJKY-UHFFFAOYSA-N -1 0 381.392 3.208 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001590176534 989508092 /nfs/dbraw/zinc/50/80/92/989508092.db2.gz JTCBLJZQUICCHW-SNVBAGLBSA-N -1 0 399.831 3.297 20 5 GGBDRM CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001590262962 989653401 /nfs/dbraw/zinc/65/34/01/989653401.db2.gz AHAGCUYYWZXVTM-SECBINFHSA-N -1 0 385.804 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COc1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c2ncccc12 ZINC001599597202 993764008 /nfs/dbraw/zinc/76/40/08/993764008.db2.gz LPHCJVMCCDXGCF-UHFFFAOYSA-N -1 0 383.360 3.227 20 5 GGBDRM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001599603224 993847644 /nfs/dbraw/zinc/84/76/44/993847644.db2.gz PCIUWBRSSGWWIQ-ZBFHGGJFSA-N -1 0 386.360 3.052 20 5 GGBDRM COc1ccc(OCCN(C)c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001599605920 993885021 /nfs/dbraw/zinc/88/50/21/993885021.db2.gz OQDSYMWSJMLVLN-UHFFFAOYSA-N -1 0 380.784 3.470 20 5 GGBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001599608245 993915883 /nfs/dbraw/zinc/91/58/83/993915883.db2.gz IXTUREVTTIFMMK-ZDUSSCGKSA-N -1 0 398.371 3.299 20 5 GGBDRM C[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593147009 993948596 /nfs/dbraw/zinc/94/85/96/993948596.db2.gz WZTHWVNHDWLONO-OCCSQVGLSA-N -1 0 381.388 3.138 20 5 GGBDRM C[C@@](NC(=O)c1cc(C2CCCCC2)n[nH]1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593150114 993956831 /nfs/dbraw/zinc/95/68/31/993956831.db2.gz OGTMCBUIZQFSRJ-IBGZPJMESA-N -1 0 386.408 3.095 20 5 GGBDRM C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593154554 993963502 /nfs/dbraw/zinc/96/35/02/993963502.db2.gz GSGPHHBTKNXAFP-JTQLQIEISA-N -1 0 378.768 3.203 20 5 GGBDRM C[C@](NC(=O)c1cc(F)cc2ccncc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593154825 993964637 /nfs/dbraw/zinc/96/46/37/993964637.db2.gz IZBISVVSARFLHL-LJQANCHMSA-N -1 0 383.335 3.012 20 5 GGBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1ccccn1 ZINC001593155765 993970336 /nfs/dbraw/zinc/97/03/36/993970336.db2.gz OFLIRIBECBJFRO-LLVKDONJSA-N -1 0 375.406 3.048 20 5 GGBDRM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)c1C ZINC001599616738 994024298 /nfs/dbraw/zinc/02/42/98/994024298.db2.gz NYKCVFYOAMOOMY-UHFFFAOYSA-N -1 0 394.405 3.028 20 5 GGBDRM C[C@@H](CCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001593170150 994024610 /nfs/dbraw/zinc/02/46/10/994024610.db2.gz JAOSGKHIDSFVOQ-KBPBESRZSA-N -1 0 385.420 3.403 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170209 994024657 /nfs/dbraw/zinc/02/46/57/994024657.db2.gz JPONBTHNZDAMPU-RHSMWYFYSA-N -1 0 397.431 3.009 20 5 GGBDRM COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599616801 994025727 /nfs/dbraw/zinc/02/57/27/994025727.db2.gz QTQVEPYSGFPELE-UHFFFAOYSA-N -1 0 394.405 3.226 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170462 994027187 /nfs/dbraw/zinc/02/71/87/994027187.db2.gz LWQSIGTWTPOAPA-LBPRGKRZSA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NC[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170884 994028790 /nfs/dbraw/zinc/02/87/90/994028790.db2.gz QGEBCKZTUARYLK-KCXAZCMYSA-N -1 0 383.404 3.013 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N[C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171392 994030276 /nfs/dbraw/zinc/03/02/76/994030276.db2.gz UYQKZZFSKWBNCB-UWVGGRQHSA-N -1 0 393.346 3.249 20 5 GGBDRM C[C@H](NC(=O)c1ccc(NCC(C)(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171433 994031269 /nfs/dbraw/zinc/03/12/69/994031269.db2.gz VMOBPWAPXXDJDF-ZDUSSCGKSA-N -1 0 385.420 3.187 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171727 994034626 /nfs/dbraw/zinc/03/46/26/994034626.db2.gz ZDISIPDAEVXCRK-WMLDXEAASA-N -1 0 397.431 3.182 20 5 GGBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593172505 994038293 /nfs/dbraw/zinc/03/82/93/994038293.db2.gz NXVGXMUIAUAHQZ-SMDDNHRTSA-N -1 0 376.796 3.310 20 5 GGBDRM C[C@@](NC(=O)c1ccccc1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178553 994057103 /nfs/dbraw/zinc/05/71/03/994057103.db2.gz BJFSGLADTKYCGI-INIZCTEOSA-N -1 0 382.294 3.343 20 5 GGBDRM C[C@](NC(=O)c1ccccc1C(F)(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593178555 994057666 /nfs/dbraw/zinc/05/76/66/994057666.db2.gz BJFSGLADTKYCGI-MRXNPFEDSA-N -1 0 382.294 3.343 20 5 GGBDRM C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593181740 994072888 /nfs/dbraw/zinc/07/28/88/994072888.db2.gz UYJCHETZBRHHSP-SNVBAGLBSA-N -1 0 398.400 3.303 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001599621846 994094141 /nfs/dbraw/zinc/09/41/41/994094141.db2.gz CSEGRUNSRRNQBM-KBXCAEBGSA-N -1 0 398.415 3.297 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001599621827 994094189 /nfs/dbraw/zinc/09/41/89/994094189.db2.gz CDTJDGVKRKAHHP-CQSZACIVSA-N -1 0 383.715 3.379 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001599621853 994094349 /nfs/dbraw/zinc/09/43/49/994094349.db2.gz CSEGRUNSRRNQBM-RDTXWAMCSA-N -1 0 398.415 3.297 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3ccccc3C(=O)[O-])n2)c1 ZINC001599621957 994096373 /nfs/dbraw/zinc/09/63/73/994096373.db2.gz HFYJYUAMRBRRHT-UHFFFAOYSA-N -1 0 383.360 3.061 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001599622093 994098297 /nfs/dbraw/zinc/09/82/97/994098297.db2.gz QFINSPRAFKYMAY-UHFFFAOYSA-N -1 0 396.149 3.283 20 5 GGBDRM C[C@](NC(=O)c1snc(Cl)c1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593188280 994099158 /nfs/dbraw/zinc/09/91/58/994099158.db2.gz AGEGRSYIIZJSJC-CYBMUJFWSA-N -1 0 390.204 3.088 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001599622439 994102535 /nfs/dbraw/zinc/10/25/35/994102535.db2.gz NBDJNBWCLTWBBX-SWLSCSKDSA-N -1 0 387.392 3.057 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001599622553 994103802 /nfs/dbraw/zinc/10/38/02/994103802.db2.gz SFGGZRBWXWQMRA-UHFFFAOYSA-N -1 0 384.344 3.069 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(Nc3ccc(OCCC(=O)[O-])cc3)c2c1 ZINC001599637633 994312499 /nfs/dbraw/zinc/31/24/99/994312499.db2.gz GOPNQICBVMMNKT-UHFFFAOYSA-N -1 0 383.360 3.171 20 5 GGBDRM COc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)c1[N+](=O)[O-] ZINC001599640883 994356712 /nfs/dbraw/zinc/35/67/12/994356712.db2.gz HAPQSZQDFDORKN-CQSZACIVSA-N -1 0 390.417 3.271 20 5 GGBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001599644579 994406590 /nfs/dbraw/zinc/40/65/90/994406590.db2.gz DDXNHIBYCRAIHM-UHFFFAOYSA-N -1 0 380.303 3.056 20 5 GGBDRM C[C@@](NCC(=O)Nc1ccc2ccccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593236984 994410196 /nfs/dbraw/zinc/41/01/96/994410196.db2.gz MBATUTCPBDKWLZ-NRFANRHFSA-N -1 0 393.399 3.276 20 5 GGBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001599646089 994427142 /nfs/dbraw/zinc/42/71/42/994427142.db2.gz PPPXRZYLJVDUPW-UHFFFAOYSA-N -1 0 376.340 3.036 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001599649098 994468369 /nfs/dbraw/zinc/46/83/69/994468369.db2.gz IHMMAVPVFNUQFB-WFXMLNOXSA-N -1 0 398.415 3.213 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001599649094 994468676 /nfs/dbraw/zinc/46/86/76/994468676.db2.gz IHMMAVPVFNUQFB-LQWHRVPQSA-N -1 0 398.415 3.213 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC001599653551 994542580 /nfs/dbraw/zinc/54/25/80/994542580.db2.gz LSLBZYIXDJWDGG-FQEVSTJZSA-N -1 0 397.387 3.205 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001599654067 994549875 /nfs/dbraw/zinc/54/98/75/994549875.db2.gz ROJBXXCTLCVEDD-GOSISDBHSA-N -1 0 392.795 3.377 20 5 GGBDRM C[C@@](NCc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298549 994715458 /nfs/dbraw/zinc/71/54/58/994715458.db2.gz LHGDIUYGFMIVDH-INIZCTEOSA-N -1 0 379.756 3.246 20 5 GGBDRM C[C@@](NCc1csc(-c2ccccn2)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593311524 994783623 /nfs/dbraw/zinc/78/36/23/994783623.db2.gz GXHPWZLKDFRXEC-SFHVURJKSA-N -1 0 384.417 3.203 20 5 GGBDRM CNc1c(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC001598677129 994864599 /nfs/dbraw/zinc/86/45/99/994864599.db2.gz GSBGZEBVVVOEMH-UHFFFAOYSA-N -1 0 397.431 3.430 20 5 GGBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001598678979 994894724 /nfs/dbraw/zinc/89/47/24/994894724.db2.gz YBXRYROYENRNSN-CQSZACIVSA-N -1 0 397.309 3.211 20 5 GGBDRM CNc1ccc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC001598678948 994894864 /nfs/dbraw/zinc/89/48/64/994894864.db2.gz WWEARUADSZOYHB-KDOFPFPSSA-N -1 0 397.431 3.330 20 5 GGBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001598678978 994895175 /nfs/dbraw/zinc/89/51/75/994895175.db2.gz YBXRYROYENRNSN-AWEZNQCLSA-N -1 0 397.309 3.211 20 5 GGBDRM COc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Br ZINC001599677177 994916908 /nfs/dbraw/zinc/91/69/08/994916908.db2.gz UCERQEGFDHOVJT-UHFFFAOYSA-N -1 0 395.165 3.316 20 5 GGBDRM CNc1nccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001598681370 994933889 /nfs/dbraw/zinc/93/38/89/994933889.db2.gz IFFUPFOYYSKNNY-MRXNPFEDSA-N -1 0 394.387 3.131 20 5 GGBDRM COC(=O)[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC001598705336 995278261 /nfs/dbraw/zinc/27/82/61/995278261.db2.gz ZGVJCOOKRQFJGY-WWRUEGTHSA-N -1 0 376.409 3.474 20 5 GGBDRM COC(=O)C1CC2(C1)C[C@H](Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])CCS2 ZINC001598761608 995783101 /nfs/dbraw/zinc/78/31/01/995783101.db2.gz XEESSRVBZZLUTI-BJCXPLBRSA-N -1 0 394.449 3.231 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001593619704 995863142 /nfs/dbraw/zinc/86/31/42/995863142.db2.gz LYEFTHDMJLNUIP-OQPBUACISA-N -1 0 384.797 3.019 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001593619931 995866194 /nfs/dbraw/zinc/86/61/94/995866194.db2.gz UAUWFBRDYJMFAF-MPXAEWJHSA-N -1 0 396.827 3.260 20 5 GGBDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593622575 995876544 /nfs/dbraw/zinc/87/65/44/995876544.db2.gz DSZVKAIODJPXEN-MRVPVSSYSA-N -1 0 383.715 3.458 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F)C(=O)[O-] ZINC001593624232 995884983 /nfs/dbraw/zinc/88/49/83/995884983.db2.gz IGWLFQIWLFMYSC-WDEREUQCSA-N -1 0 376.340 3.328 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F)C(=O)[O-] ZINC001593624231 995885049 /nfs/dbraw/zinc/88/50/49/995885049.db2.gz IGWLFQIWLFMYSC-QWRGUYRKSA-N -1 0 376.340 3.328 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1F)C(=O)[O-] ZINC001593626090 995893896 /nfs/dbraw/zinc/89/38/96/995893896.db2.gz GJVFONRLDKQMBU-NSHDSACASA-N -1 0 391.355 3.027 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1F)C(=O)[O-] ZINC001593630250 995913092 /nfs/dbraw/zinc/91/30/92/995913092.db2.gz YLGGKDCJJPWEAL-JTQLQIEISA-N -1 0 389.339 3.134 20 5 GGBDRM C[C@@H](NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001593632249 995919112 /nfs/dbraw/zinc/91/91/12/995919112.db2.gz SEIBKSVJNWBSTJ-GHMZBOCLSA-N -1 0 391.355 3.469 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F)C(=O)[O-] ZINC001593632252 995919150 /nfs/dbraw/zinc/91/91/50/995919150.db2.gz SEIBKSVJNWBSTJ-WDEREUQCSA-N -1 0 391.355 3.469 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1F)C(=O)[O-] ZINC001593633515 995923717 /nfs/dbraw/zinc/92/37/17/995923717.db2.gz HFNYKCUNJUMMAO-MRVPVSSYSA-N -1 0 382.731 3.492 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F)C(=O)[O-] ZINC001593634658 995927544 /nfs/dbraw/zinc/92/75/44/995927544.db2.gz XLKORFPGKJXFEJ-QMMMGPOBSA-N -1 0 382.731 3.492 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001593666859 996053633 /nfs/dbraw/zinc/05/36/33/996053633.db2.gz CBLGQPBQOUTYNF-OCCSQVGLSA-N -1 0 386.429 3.366 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593667096 996055746 /nfs/dbraw/zinc/05/57/46/996055746.db2.gz KNDOWKHOQDFWJV-ZMZPIMSZSA-N -1 0 392.408 3.331 20 5 GGBDRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593692904 996141268 /nfs/dbraw/zinc/14/12/68/996141268.db2.gz FVFVSGPKVADAAL-JTQLQIEISA-N -1 0 394.330 3.170 20 5 GGBDRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001593697967 996159691 /nfs/dbraw/zinc/15/96/91/996159691.db2.gz TUFSKEBQUKKPQI-NSHDSACASA-N -1 0 376.340 3.031 20 5 GGBDRM C[C@H](c1ccc(F)cc1)N(C)C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001593697965 996159785 /nfs/dbraw/zinc/15/97/85/996159785.db2.gz TUFSKEBQUKKPQI-LLVKDONJSA-N -1 0 376.340 3.031 20 5 GGBDRM C[C@@H](c1ccccc1)n1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001593714084 996227519 /nfs/dbraw/zinc/22/75/19/996227519.db2.gz SEIJBKUDGNRIJS-AWEZNQCLSA-N -1 0 396.403 3.476 20 5 GGBDRM 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ZINC001598975291 998591999 /nfs/dbraw/zinc/59/19/99/998591999.db2.gz BTBMNVMZMIGORK-UHFFFAOYSA-N -1 0 382.731 3.484 20 5 GGBDRM COC(=O)c1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC001598975791 998598286 /nfs/dbraw/zinc/59/82/86/998598286.db2.gz PJIVBPRGLVNRQZ-YVMONPNESA-N -1 0 386.360 3.100 20 5 GGBDRM COC(=O)c1ccc(Cl)c(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001598976408 998604171 /nfs/dbraw/zinc/60/41/71/998604171.db2.gz VQMNYMNADRGAPB-SFHVURJKSA-N -1 0 392.795 3.124 20 5 GGBDRM COC(=O)c1ccc(NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001598978589 998630229 /nfs/dbraw/zinc/63/02/29/998630229.db2.gz DIUFQJCGYUDLTF-PKNBQFBNSA-N -1 0 384.344 3.122 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC001598988044 998712143 /nfs/dbraw/zinc/71/21/43/998712143.db2.gz NOGCTRHHHBYFAE-AWEZNQCLSA-N -1 0 386.404 3.104 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cc3ccc(C(=O)[O-])cc3o2)c1 ZINC001598989055 998719885 /nfs/dbraw/zinc/71/98/85/998719885.db2.gz ZELQJLNVYBYIPG-UHFFFAOYSA-N -1 0 384.344 3.480 20 5 GGBDRM COC(=O)c1ccc2c(c1)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC001598989584 998724259 /nfs/dbraw/zinc/72/42/59/998724259.db2.gz DJGJYWDXMFSNRW-ZDUSSCGKSA-N -1 0 385.376 3.007 20 5 GGBDRM COC(=O)c1ccc2cc(CCNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])oc2c1 ZINC001598991584 998742436 /nfs/dbraw/zinc/74/24/36/998742436.db2.gz OSSFNKXPKMOTNH-UHFFFAOYSA-N -1 0 384.344 3.480 20 5 GGBDRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001594207100 998796809 /nfs/dbraw/zinc/79/68/09/998796809.db2.gz WMRXKWWRMDNMCY-IUCAKERBSA-N -1 0 385.214 3.071 20 5 GGBDRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001594207292 998798045 /nfs/dbraw/zinc/79/80/45/998798045.db2.gz ZKKAUXSVSXIZDY-RKDXNWHRSA-N -1 0 385.214 3.071 20 5 GGBDRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001594207290 998798286 /nfs/dbraw/zinc/79/82/86/998798286.db2.gz ZKKAUXSVSXIZDY-DOFRTFSJSA-N -1 0 385.214 3.071 20 5 GGBDRM COC(=O)c1ccnc(Oc2ccc(C(=O)[O-])cc2Br)c1[N+](=O)[O-] ZINC001599004591 998846451 /nfs/dbraw/zinc/84/64/51/998846451.db2.gz MTQFCTSYWNEZOD-UHFFFAOYSA-N -1 0 397.137 3.029 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(C)(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594230372 998874686 /nfs/dbraw/zinc/87/46/86/998874686.db2.gz JRJHYIICTHTZNB-KBPBESRZSA-N -1 0 391.468 3.308 20 5 GGBDRM C[C@@H]1C[C@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC(C)(C)C1 ZINC001594236341 998901333 /nfs/dbraw/zinc/90/13/33/998901333.db2.gz QBEIGUDRRWJHHK-OLZOCXBDSA-N -1 0 398.481 3.424 20 5 GGBDRM COC(=O)c1nc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])ccc1Cl ZINC001599015987 998938567 /nfs/dbraw/zinc/93/85/67/998938567.db2.gz WFJSTHPPFQIALE-CLTKARDFSA-N -1 0 391.767 3.140 20 5 GGBDRM COC(=O)c1nc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])ccc1Cl ZINC001599015994 998939375 /nfs/dbraw/zinc/93/93/75/998939375.db2.gz WFJSTHPPFQIALE-XVNBXDOJSA-N -1 0 391.767 3.140 20 5 GGBDRM C[C@H]1CC(F)(F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001594246181 998942273 /nfs/dbraw/zinc/94/22/73/998942273.db2.gz UHSWOYBTVYFDFA-JTQLQIEISA-N -1 0 388.392 3.421 20 5 GGBDRM CO[C@@](C)(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1F ZINC001599030358 999046362 /nfs/dbraw/zinc/04/63/62/999046362.db2.gz VGFHJWNCPBXMOG-GOSISDBHSA-N -1 0 376.340 3.241 20 5 GGBDRM CO[C@](C)([C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C1CC1 ZINC001599034766 999075149 /nfs/dbraw/zinc/07/51/49/999075149.db2.gz HYXRFSMZHVOYFZ-ADLMAVQZSA-N -1 0 396.465 3.095 20 5 GGBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001594278674 999079907 /nfs/dbraw/zinc/07/99/07/999079907.db2.gz UBZDTFDYMMZSCQ-MHDGFBEUSA-N -1 0 378.450 3.184 20 5 GGBDRM CO[C@](C)(CNC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1 ZINC001599037468 999093404 /nfs/dbraw/zinc/09/34/04/999093404.db2.gz ZJVNETMNCGRSJV-LJQANCHMSA-N -1 0 387.392 3.285 20 5 GGBDRM C[C@@H]1C[C@]2(CCO1)CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C[C@H](C)O2 ZINC001594283298 999096895 /nfs/dbraw/zinc/09/68/95/999096895.db2.gz FHSJNITXVYBVJG-VGTOOOLASA-N -1 0 384.816 3.109 20 5 GGBDRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594299376 999155900 /nfs/dbraw/zinc/15/59/00/999155900.db2.gz YNPWNYLELOSBEL-IPYPFGDCSA-N -1 0 398.481 3.280 20 5 GGBDRM CO[C@@H](COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001599054992 999223131 /nfs/dbraw/zinc/22/31/31/999223131.db2.gz BFEIWGWRIFVZJE-HNNXBMFYSA-N -1 0 379.752 3.491 20 5 GGBDRM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599063586 999283376 /nfs/dbraw/zinc/28/33/76/999283376.db2.gz LLUHPBRIWJEAIB-QLJPJBMISA-N -1 0 392.795 3.452 20 5 GGBDRM CC1CCC2(CC1)OC[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])O2 ZINC001594334676 999284667 /nfs/dbraw/zinc/28/46/67/999284667.db2.gz TWDOFDRXHQUIHM-GECYLPQSSA-N -1 0 376.409 3.426 20 5 GGBDRM 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ZINC000007417583 564237288 /nfs/dbraw/zinc/23/72/88/564237288.db2.gz GGYAUGFPVXFEGF-UHFFFAOYSA-N -1 0 384.797 3.144 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435403 564240816 /nfs/dbraw/zinc/24/08/16/564240816.db2.gz ORUAQZNCKRJLLT-ZDUSSCGKSA-N -1 0 378.303 3.316 20 5 GGBDRM CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119104665 564254919 /nfs/dbraw/zinc/25/49/19/564254919.db2.gz ZQKNCXHEUKHECY-UHFFFAOYSA-N -1 0 391.377 3.002 20 5 GGBDRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119162719 564257174 /nfs/dbraw/zinc/25/71/74/564257174.db2.gz HQRHCWXDAINYKE-UHFFFAOYSA-N -1 0 378.435 3.260 20 5 GGBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119153507 564257527 /nfs/dbraw/zinc/25/75/27/564257527.db2.gz RPMWPHOVDPSDDO-UHFFFAOYSA-N -1 0 389.842 3.377 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1[N+](=O)[O-] ZINC000119298154 564263693 /nfs/dbraw/zinc/26/36/93/564263693.db2.gz MCWDVJNFFIILKE-UHFFFAOYSA-N -1 0 393.240 3.234 20 5 GGBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2C)o1 ZINC000119387123 564267584 /nfs/dbraw/zinc/26/75/84/564267584.db2.gz YUDBAAKSZUHYCH-UHFFFAOYSA-N -1 0 382.423 3.365 20 5 GGBDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119424867 564270184 /nfs/dbraw/zinc/27/01/84/564270184.db2.gz NJDQFHKVUMBXOO-UHFFFAOYSA-N -1 0 378.435 3.260 20 5 GGBDRM CCOCc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119543995 564276447 /nfs/dbraw/zinc/27/64/47/564276447.db2.gz CZPBBVKITRGLHU-UHFFFAOYSA-N -1 0 384.841 3.263 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000119665745 564281677 /nfs/dbraw/zinc/28/16/77/564281677.db2.gz OXLUTJLEEXHKOM-UHFFFAOYSA-N -1 0 387.211 3.167 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000119663341 564282075 /nfs/dbraw/zinc/28/20/75/564282075.db2.gz QQFCMQUGDUZTBB-UHFFFAOYSA-N -1 0 376.312 3.423 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000119663687 564282100 /nfs/dbraw/zinc/28/21/00/564282100.db2.gz CZWRGWQGVXHRCR-UHFFFAOYSA-N -1 0 376.312 3.423 20 5 GGBDRM COc1cc(OC)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000016095776 564290767 /nfs/dbraw/zinc/29/07/67/564290767.db2.gz IPNPVPYLKUYWOQ-UHFFFAOYSA-N -1 0 386.813 3.375 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1[O-] ZINC000024101111 564328543 /nfs/dbraw/zinc/32/85/43/564328543.db2.gz NMGUUHCAUZBTMV-UHFFFAOYSA-N -1 0 391.174 3.003 20 5 GGBDRM Cc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Br ZINC000024101115 564328748 /nfs/dbraw/zinc/32/87/48/564328748.db2.gz YWXPKSRZDMCIGO-UHFFFAOYSA-N -1 0 387.211 3.172 20 5 GGBDRM O=C(COc1ccc(Br)cc1F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120883915 564341110 /nfs/dbraw/zinc/34/11/10/564341110.db2.gz LDMWPXFJQKQYFV-UHFFFAOYSA-N -1 0 385.145 3.220 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000121285914 564363111 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COc1c(F)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000055682015 564629569 /nfs/dbraw/zinc/62/95/69/564629569.db2.gz TVIPJLQXDAFNTD-UHFFFAOYSA-N -1 0 378.740 3.336 20 5 GGBDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000128969142 564635019 /nfs/dbraw/zinc/63/50/19/564635019.db2.gz JDBINCUKWYCZQL-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000129485314 564650102 /nfs/dbraw/zinc/65/01/02/564650102.db2.gz OODBKMBYFNETPN-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2C)cc1[N+](=O)[O-] ZINC000129605023 564654217 /nfs/dbraw/zinc/65/42/17/564654217.db2.gz QTGUSSZJUPCRSO-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM O=C(NC1(c2cccc(Br)c2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000129923239 564665219 /nfs/dbraw/zinc/66/52/19/564665219.db2.gz QDGZPLFIZWELIH-UHFFFAOYSA-N -1 0 377.194 3.482 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1[N+](=O)[O-] ZINC000057717522 564672730 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382.398 3.295 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)o1 ZINC000153583005 565001640 /nfs/dbraw/zinc/00/16/40/565001640.db2.gz QCSCENAOZOMWPA-UHFFFAOYSA-N -1 0 380.769 3.099 20 5 GGBDRM CC(C)c1csc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000154086442 565025381 /nfs/dbraw/zinc/02/53/81/565025381.db2.gz IQVOAQNHIMJTNL-UHFFFAOYSA-N -1 0 375.859 3.307 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000110590451 565042744 /nfs/dbraw/zinc/04/27/44/565042744.db2.gz GZBNDJNSRDPVJF-UHFFFAOYSA-N -1 0 375.175 3.297 20 5 GGBDRM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000111363221 565053545 /nfs/dbraw/zinc/05/35/45/565053545.db2.gz FKGOMRRECPCDSB-QMMMGPOBSA-N -1 0 375.859 3.307 20 5 GGBDRM Cc1csc(C2([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCCC2)n1 ZINC000112707273 565065818 /nfs/dbraw/zinc/06/58/18/565065818.db2.gz QJRYSEPRSRIMNS-UHFFFAOYSA-N -1 0 385.442 3.247 20 5 GGBDRM CCCc1[nH]nc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c1[N+](=O)[O-] 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565238462 /nfs/dbraw/zinc/23/84/62/565238462.db2.gz OENIQOGNKKUKHC-WCQYABFASA-N -1 0 377.194 3.349 20 5 GGBDRM COc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161571971 565287486 /nfs/dbraw/zinc/28/74/86/565287486.db2.gz FCFIQNILTDLTOY-UHFFFAOYSA-N -1 0 376.312 3.423 20 5 GGBDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O ZINC000161682416 565289849 /nfs/dbraw/zinc/28/98/49/565289849.db2.gz FDILKHUVLHKFKJ-UHFFFAOYSA-N -1 0 376.312 3.428 20 5 GGBDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186944602 565297911 /nfs/dbraw/zinc/29/79/11/565297911.db2.gz CJSHRCPNYOBLGW-UHFFFAOYSA-N -1 0 376.312 3.445 20 5 GGBDRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000187030043 565304282 /nfs/dbraw/zinc/30/42/82/565304282.db2.gz NYYNWKSVAQCXCH-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)sc1C ZINC000162319286 565312211 /nfs/dbraw/zinc/31/22/11/565312211.db2.gz WJVFPHVVTVRPBQ-UHFFFAOYSA-N -1 0 381.357 3.488 20 5 GGBDRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187166622 565313454 /nfs/dbraw/zinc/31/34/54/565313454.db2.gz LCOGIWOMEGGJAN-UHFFFAOYSA-N -1 0 388.561 3.069 20 5 GGBDRM CCc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000162341944 565313588 /nfs/dbraw/zinc/31/35/88/565313588.db2.gz AAIMBQHQESDGGM-UHFFFAOYSA-N -1 0 381.357 3.433 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000162680463 565324889 /nfs/dbraw/zinc/32/48/89/565324889.db2.gz AVKRFMGQYUSMLI-GXFFZTMASA-N -1 0 395.264 3.138 20 5 GGBDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000187374123 565327778 /nfs/dbraw/zinc/32/77/78/565327778.db2.gz ZJZBQETWFRTLLB-UHFFFAOYSA-N -1 0 383.382 3.153 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2ncc(C3CCOCC3)s2)ccc1[N+](=O)[O-] ZINC000296767091 565335596 /nfs/dbraw/zinc/33/55/96/565335596.db2.gz RBOOKJMMQYRBKQ-UHFFFAOYSA-N -1 0 383.451 3.055 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncc(C2CCOCC2)s1 ZINC000296803280 565337379 /nfs/dbraw/zinc/33/73/79/565337379.db2.gz ULOCVNJNKMDJKJ-UHFFFAOYSA-N -1 0 383.451 3.055 20 5 GGBDRM CCSCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163402331 565344747 /nfs/dbraw/zinc/34/47/47/565344747.db2.gz HZMXHIRSPGISHJ-SECBINFHSA-N -1 0 386.417 3.424 20 5 GGBDRM Cc1nc([N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1[N+](=O)[O-] ZINC000165232601 565369020 /nfs/dbraw/zinc/36/90/20/565369020.db2.gz QPQZUKXNUKTUFA-UHFFFAOYSA-N -1 0 390.190 3.001 20 5 GGBDRM Cc1nc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000165237772 565369187 /nfs/dbraw/zinc/36/91/87/565369187.db2.gz PHNUVEZYRCFFBB-UHFFFAOYSA-N -1 0 393.755 3.354 20 5 GGBDRM Cc1nc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)ccc1[N+](=O)[O-] ZINC000165243836 565369988 /nfs/dbraw/zinc/36/99/88/565369988.db2.gz HVXFXFSWIIMBGG-QMMMGPOBSA-N -1 0 383.813 3.076 20 5 GGBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000274999162 565388113 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3.316 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000172907084 565511869 /nfs/dbraw/zinc/51/18/69/565511869.db2.gz PRVCBJDZEYHKRM-UHFFFAOYSA-N -1 0 376.312 3.445 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)ccc1[O-] ZINC000172901242 565512206 /nfs/dbraw/zinc/51/22/06/565512206.db2.gz MDQNJEARFFDMHJ-UHFFFAOYSA-N -1 0 376.312 3.206 20 5 GGBDRM O=C1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000378611345 565536326 /nfs/dbraw/zinc/53/63/26/565536326.db2.gz SZWZQZRURGEAOD-UHFFFAOYSA-N -1 0 382.781 3.014 20 5 GGBDRM Cc1cc(Br)cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000389423888 565554875 /nfs/dbraw/zinc/55/48/75/565554875.db2.gz WGCDJYJCJHGAHC-UHFFFAOYSA-N -1 0 387.211 3.172 20 5 GGBDRM COc1cc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000393136123 565569025 /nfs/dbraw/zinc/56/90/25/565569025.db2.gz VOFABBUEAYVKQL-UHFFFAOYSA-N -1 0 390.776 3.205 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)ccc1[O-] ZINC000315745170 565590021 /nfs/dbraw/zinc/59/00/21/565590021.db2.gz MGWTZYAGRQYEKM-UHFFFAOYSA-N -1 0 391.174 3.003 20 5 GGBDRM Cc1cc(Br)cnc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000317128060 565594064 /nfs/dbraw/zinc/59/40/64/565594064.db2.gz DNSUBXACQYJZKH-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM O=[N+]([O-])c1ccc(O)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000318535203 565597354 /nfs/dbraw/zinc/59/73/54/565597354.db2.gz JTLPBFSMICWMMH-UHFFFAOYSA-N -1 0 391.174 3.003 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)ccc1[O-] ZINC000323944377 565616324 /nfs/dbraw/zinc/61/63/24/565616324.db2.gz LDSIWTCBKAFMJA-UHFFFAOYSA-N -1 0 391.232 3.128 20 5 GGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2cc(Br)ccc2C1 ZINC000191608324 565617269 /nfs/dbraw/zinc/61/72/69/565617269.db2.gz RTROMGMDZNRPFI-UHFFFAOYSA-N -1 0 377.194 3.261 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000191750472 565629121 /nfs/dbraw/zinc/62/91/21/565629121.db2.gz ZJRDMIUJURZOHZ-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)n2)ccc1[N+](=O)[O-] ZINC000174326938 565629560 /nfs/dbraw/zinc/62/95/60/565629560.db2.gz BZFRYZJIRXZTMR-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] ZINC000191789323 565631992 /nfs/dbraw/zinc/63/19/92/565631992.db2.gz CGBDAQUAEDMCRX-UHFFFAOYSA-N -1 0 375.328 3.426 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327758799 565632888 /nfs/dbraw/zinc/63/28/88/565632888.db2.gz ORQNSLVHUVDGIM-UHFFFAOYSA-N -1 0 384.797 3.310 20 5 GGBDRM COc1cc(OC)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC000328004457 565634487 /nfs/dbraw/zinc/63/44/87/565634487.db2.gz JWOZZYGEJTXTGZ-UHFFFAOYSA-N -1 0 390.776 3.205 20 5 GGBDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000191842031 565637184 /nfs/dbraw/zinc/63/71/84/565637184.db2.gz DDQSYXNOMYVWFF-UHFFFAOYSA-N -1 0 382.829 3.279 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000191878951 565638804 /nfs/dbraw/zinc/63/88/04/565638804.db2.gz PRJVQVBXAYYITO-UHFFFAOYSA-N -1 0 393.165 3.436 20 5 GGBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000191902037 565641464 /nfs/dbraw/zinc/64/14/64/565641464.db2.gz VKVXMHQXMJAUDF-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000410406365 565683075 /nfs/dbraw/zinc/68/30/75/565683075.db2.gz KXIHTPZPEPKNHZ-UHFFFAOYSA-N -1 0 376.312 3.212 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000410407460 565684292 /nfs/dbraw/zinc/68/42/92/565684292.db2.gz NSEKBYYOIPSZQU-UHFFFAOYSA-N -1 0 391.199 3.150 20 5 GGBDRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000192714076 565706672 /nfs/dbraw/zinc/70/66/72/565706672.db2.gz WQLIOCGAHNFJHW-UHFFFAOYSA-N -1 0 387.211 3.167 20 5 GGBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ncc1Br ZINC000175655276 565713789 /nfs/dbraw/zinc/71/37/89/565713789.db2.gz LKIWRQZXCAJSIC-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ncc1Br ZINC000175658410 565714714 /nfs/dbraw/zinc/71/47/14/565714714.db2.gz FMRRCEOZTKVEQO-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c([N+](=O)[O-])c1 ZINC000193211919 565739045 /nfs/dbraw/zinc/73/90/45/565739045.db2.gz BEIWGBQVJOGNNR-UHFFFAOYSA-N -1 0 383.451 3.130 20 5 GGBDRM C[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000193686938 565770162 /nfs/dbraw/zinc/77/01/62/565770162.db2.gz BZAVWBGNHZHEAO-ZETCQYMHSA-N -1 0 378.303 3.191 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000176597523 565787494 /nfs/dbraw/zinc/78/74/94/565787494.db2.gz NJKDIAWABHJSJM-UHFFFAOYSA-N -1 0 376.847 3.332 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)cc1 ZINC000176600592 565788944 /nfs/dbraw/zinc/78/89/44/565788944.db2.gz STLMPROXBMWAHN-UHFFFAOYSA-N -1 0 382.467 3.370 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000176670702 565792292 /nfs/dbraw/zinc/79/22/92/565792292.db2.gz GWCLLAGSGFYDDE-UHFFFAOYSA-N -1 0 387.211 3.167 20 5 GGBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)Cc3ccc(F)c(Cl)c3)c2c1 ZINC000194631200 565827911 /nfs/dbraw/zinc/82/79/11/565827911.db2.gz VBRZAYADGUYPPA-UHFFFAOYSA-N -1 0 384.776 3.206 20 5 GGBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)c2c1 ZINC000194631317 565828005 /nfs/dbraw/zinc/82/80/05/565828005.db2.gz XWVQXBIJWLIAQM-UHFFFAOYSA-N -1 0 384.776 3.206 20 5 GGBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000194652494 565828937 /nfs/dbraw/zinc/82/89/37/565828937.db2.gz MIFXUUPZNYMRCC-UHFFFAOYSA-N -1 0 388.804 3.476 20 5 GGBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000194652297 565829067 /nfs/dbraw/zinc/82/90/67/565829067.db2.gz SVUPTVGMFJLVBW-UHFFFAOYSA-N -1 0 388.804 3.476 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)o1 ZINC000194785375 565837720 /nfs/dbraw/zinc/83/77/20/565837720.db2.gz 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567426545 /nfs/dbraw/zinc/42/65/45/567426545.db2.gz OLRRNKWJUPMXQY-UHFFFAOYSA-N -1 0 376.312 3.144 20 5 GGBDRM CN(Cc1ccc(F)cc1Br)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436595741 567436591 /nfs/dbraw/zinc/43/65/91/567436591.db2.gz NSALOSVSLXIRAU-UHFFFAOYSA-N -1 0 383.173 3.474 20 5 GGBDRM CN(Cc1ccc(F)cc1Br)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436593373 567437554 /nfs/dbraw/zinc/43/75/54/567437554.db2.gz DLRVLBXDGVPTFD-UHFFFAOYSA-N -1 0 383.173 3.474 20 5 GGBDRM CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccc(Br)cc21 ZINC000436628547 567438056 /nfs/dbraw/zinc/43/80/56/567438056.db2.gz ZZBPNRIPZGLHFQ-UHFFFAOYSA-N -1 0 392.209 3.160 20 5 GGBDRM O=C(N[C@H]1CCc2c1cccc2Br)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436635328 567440261 /nfs/dbraw/zinc/44/02/61/567440261.db2.gz TUCLBGUUQIWXFG-ZDUSSCGKSA-N -1 0 377.194 3.480 20 5 GGBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccc(Br)cc2C1 ZINC000436703398 567444387 /nfs/dbraw/zinc/44/43/87/567444387.db2.gz IISPWWCBTPYTCJ-UHFFFAOYSA-N -1 0 377.194 3.261 20 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3.410 20 5 GGBDRM Cc1ccc(I)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436929220 567466611 /nfs/dbraw/zinc/46/66/11/567466611.db2.gz YOKNRKGSPOYTMH-UHFFFAOYSA-N -1 0 398.156 3.466 20 5 GGBDRM C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436947528 567467943 /nfs/dbraw/zinc/46/79/43/567467943.db2.gz FDWXDSWGTZDBCE-SNVBAGLBSA-N -1 0 379.210 3.424 20 5 GGBDRM CN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436953657 567468449 /nfs/dbraw/zinc/46/84/49/567468449.db2.gz AXUUNXOJGYJTKV-UHFFFAOYSA-N -1 0 395.209 3.214 20 5 GGBDRM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436947527 567468982 /nfs/dbraw/zinc/46/89/82/567468982.db2.gz FDWXDSWGTZDBCE-JTQLQIEISA-N -1 0 379.210 3.424 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000619620714 567469314 /nfs/dbraw/zinc/46/93/14/567469314.db2.gz BMHODVZPYCBAJP-UHFFFAOYSA-N -1 0 386.813 3.456 20 5 GGBDRM COc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1OC ZINC000436958715 567470259 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384.351 3.381 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479254171 567518735 /nfs/dbraw/zinc/51/87/35/567518735.db2.gz SKYRUBSKGSFCAC-UHFFFAOYSA-N -1 0 384.797 3.364 20 5 GGBDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000438223193 567523398 /nfs/dbraw/zinc/52/33/98/567523398.db2.gz DFLDFVJLTHBMDL-UHFFFAOYSA-N -1 0 378.332 3.008 20 5 GGBDRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000479334538 567526207 /nfs/dbraw/zinc/52/62/07/567526207.db2.gz LQLRZKOAVWQFGB-UHFFFAOYSA-N -1 0 384.797 3.080 20 5 GGBDRM O=C([O-])c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c(F)c1 ZINC000479526035 567541931 /nfs/dbraw/zinc/54/19/31/567541931.db2.gz JCSKOWTYPWHDLI-UHFFFAOYSA-N -1 0 397.156 3.376 20 5 GGBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000438719697 567542155 /nfs/dbraw/zinc/54/21/55/567542155.db2.gz UTSYSSAFUOUZCO-UHFFFAOYSA-N -1 0 384.797 3.144 20 5 GGBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000571212129 567546034 /nfs/dbraw/zinc/54/60/34/567546034.db2.gz MNXIQOKYNYQEBD-RYUDHWBXSA-N -1 0 386.857 3.081 20 5 GGBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000438798120 567546717 /nfs/dbraw/zinc/54/67/17/567546717.db2.gz WTTIEZOFYJMMAB-UHFFFAOYSA-N -1 0 378.193 3.106 20 5 GGBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000571212128 567546911 /nfs/dbraw/zinc/54/69/11/567546911.db2.gz MNXIQOKYNYQEBD-NWDGAFQWSA-N -1 0 386.857 3.081 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1C ZINC000480009158 567574866 /nfs/dbraw/zinc/57/48/66/567574866.db2.gz HUKGDQFNRQOCHF-UHFFFAOYSA-N -1 0 378.435 3.464 20 5 GGBDRM O=C([O-])COc1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000439513391 567590631 /nfs/dbraw/zinc/59/06/31/567590631.db2.gz NEOMELBYLNNKOD-HNQUOIGGSA-N -1 0 379.166 3.386 20 5 GGBDRM Cc1nc([N-]S(=O)(=O)c2cccc(Br)c2F)ccc1[N+](=O)[O-] ZINC000571836745 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CC(C)[C@@](C)(O)CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000826676050 600802339 /nfs/dbraw/zinc/80/23/39/600802339.db2.gz AMWMFEBVZWJWCF-FQEVSTJZSA-N -1 0 386.404 3.343 20 5 GGBDRM CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000826611425 600803241 /nfs/dbraw/zinc/80/32/41/600803241.db2.gz HMZPCVZNFJQCSC-VQHVLOKHSA-N -1 0 379.413 3.408 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000776673577 600803849 /nfs/dbraw/zinc/80/38/49/600803849.db2.gz NIYGHPGYDFIUBV-CQSZACIVSA-N -1 0 388.767 3.070 20 5 GGBDRM CN(CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000776676055 600804268 /nfs/dbraw/zinc/80/42/68/600804268.db2.gz CSKSIVFEKTZUDW-CQSZACIVSA-N -1 0 391.811 3.017 20 5 GGBDRM COc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000776671387 600806268 /nfs/dbraw/zinc/80/62/68/600806268.db2.gz BIGDCLFYNVHPKV-CQSZACIVSA-N -1 0 392.795 3.132 20 5 GGBDRM 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ZINC000832858054 601064811 /nfs/dbraw/zinc/06/48/11/601064811.db2.gz GEYIUXMYHYMFRN-UHFFFAOYSA-N -1 0 375.308 3.089 20 5 GGBDRM Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)sc1C ZINC000262584194 601064843 /nfs/dbraw/zinc/06/48/43/601064843.db2.gz GIPCJFIXCJQXAT-GFCCVEGCSA-N -1 0 389.433 3.386 20 5 GGBDRM COc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000832213892 601064904 /nfs/dbraw/zinc/06/49/04/601064904.db2.gz VOGVYYYUPURGEV-UHFFFAOYSA-N -1 0 395.751 3.191 20 5 GGBDRM COc1ccc(CSCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000486286130 601065556 /nfs/dbraw/zinc/06/55/56/601065556.db2.gz UVUNTWYWVLKXPJ-UHFFFAOYSA-N -1 0 390.417 3.482 20 5 GGBDRM CCOc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000830038597 601068561 /nfs/dbraw/zinc/06/85/61/601068561.db2.gz PTACUHHUNCRLHI-MRXNPFEDSA-N -1 0 393.323 3.124 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000830049545 601069509 /nfs/dbraw/zinc/06/95/09/601069509.db2.gz GKWIZJSSJSMHJH-MRXNPFEDSA-N -1 0 393.323 3.124 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000486357631 601071105 /nfs/dbraw/zinc/07/11/05/601071105.db2.gz LPHSTIPMDGBSCA-HNNXBMFYSA-N -1 0 397.412 3.317 20 5 GGBDRM Cn1c(C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)ccc1[N+](=O)[O-] ZINC000833039144 601077870 /nfs/dbraw/zinc/07/78/70/601077870.db2.gz XRQKIMBSPJGVPQ-UHFFFAOYSA-N -1 0 387.373 3.112 20 5 GGBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833091022 601078093 /nfs/dbraw/zinc/07/80/93/601078093.db2.gz HMXUTRIRKOQVJN-CYBMUJFWSA-N -1 0 385.159 3.467 20 5 GGBDRM CCOc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830059545 601081353 /nfs/dbraw/zinc/08/13/53/601081353.db2.gz DLVIZTRVPSGJMX-RDJZCZTQSA-N -1 0 390.436 3.489 20 5 GGBDRM CCOc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830059544 601081387 /nfs/dbraw/zinc/08/13/87/601081387.db2.gz DLVIZTRVPSGJMX-NVXWUHKLSA-N -1 0 390.436 3.489 20 5 GGBDRM CNc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598660589 601089051 /nfs/dbraw/zinc/08/90/51/601089051.db2.gz BSPOAPITWOVRQT-RHSMWYFYSA-N -1 0 375.425 3.132 20 5 GGBDRM COc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598661941 601092728 /nfs/dbraw/zinc/09/27/28/601092728.db2.gz PFGQDRVVYGRGCQ-HOCLYGCPSA-N -1 0 376.409 3.099 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832957386 601105288 /nfs/dbraw/zinc/10/52/88/601105288.db2.gz CARYUYJIOGVMKR-QGZVFWFLSA-N -1 0 377.324 3.180 20 5 GGBDRM O=C([O-])[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000739373378 601124936 /nfs/dbraw/zinc/12/49/36/601124936.db2.gz PXSFSYKTATWQQA-GOSISDBHSA-N -1 0 392.371 3.289 20 5 GGBDRM O=C([O-])c1cc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc([N+](=O)[O-])c1 ZINC000833300088 601138963 /nfs/dbraw/zinc/13/89/63/601138963.db2.gz KICDFNKRXNJGOG-UHFFFAOYSA-N -1 0 379.328 3.104 20 5 GGBDRM O=C([O-])C1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCCC1 ZINC000833128189 601149137 /nfs/dbraw/zinc/14/91/37/601149137.db2.gz ALHQDXNBYVWBQX-UHFFFAOYSA-N -1 0 385.214 3.265 20 5 GGBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833181392 601150881 /nfs/dbraw/zinc/15/08/81/601150881.db2.gz NXGLIFMNHCFSOF-LQJRIPTKSA-N -1 0 397.225 3.215 20 5 GGBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833249799 601151900 /nfs/dbraw/zinc/15/19/00/601151900.db2.gz ZQEDJBUAXHZABL-UHFFFAOYSA-N -1 0 393.193 3.084 20 5 GGBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000486049468 601165926 /nfs/dbraw/zinc/16/59/26/601165926.db2.gz BBXKJVRXELSEFF-DJJJIMSYSA-N -1 0 381.388 3.128 20 5 GGBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832855812 601170442 /nfs/dbraw/zinc/17/04/42/601170442.db2.gz DUXAQWSAEWWGAK-MEDUHNTESA-N -1 0 387.348 3.003 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000595999047 601185061 /nfs/dbraw/zinc/18/50/61/601185061.db2.gz INSIODLDPBYPHJ-NSHDSACASA-N -1 0 384.816 3.309 20 5 GGBDRM Cc1cc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832886206 601194606 /nfs/dbraw/zinc/19/46/06/601194606.db2.gz VZEJGKSYSJSWBN-UHFFFAOYSA-N -1 0 384.138 3.314 20 5 GGBDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833025189 601194829 /nfs/dbraw/zinc/19/48/29/601194829.db2.gz GPNGSRICFOOKQV-UHFFFAOYSA-N -1 0 384.138 3.314 20 5 GGBDRM O=C([O-])[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1F ZINC000833350983 601194967 /nfs/dbraw/zinc/19/49/67/601194967.db2.gz HMHOWYRBLDRFSI-ZDUSSCGKSA-N -1 0 398.140 3.479 20 5 GGBDRM O=C([O-])c1ccsc1N1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000833341855 601201274 /nfs/dbraw/zinc/20/12/74/601201274.db2.gz RKVBHSYRXMVHAQ-NSHDSACASA-N -1 0 381.797 3.225 20 5 GGBDRM C[C@H](C(=O)[O-])[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000826054830 601201523 /nfs/dbraw/zinc/20/15/23/601201523.db2.gz QXGFTNUKAKXEKX-YVEFUNNKSA-N -1 0 382.376 3.196 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000827703881 601201589 /nfs/dbraw/zinc/20/15/89/601201589.db2.gz SVVADMDCWHMGSU-MJBXVCDLSA-N -1 0 385.420 3.402 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N(C)Cc2cc3ccccc3o2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827694108 601201657 /nfs/dbraw/zinc/20/16/57/601201657.db2.gz BGAIOQWOMLBQDO-GFCCVEGCSA-N -1 0 397.387 3.180 20 5 GGBDRM C[C@H](C(=O)[O-])[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000826051893 601202729 /nfs/dbraw/zinc/20/27/29/601202729.db2.gz DXFPGSCSNZROSP-SJCJKPOMSA-N -1 0 382.376 3.196 20 5 GGBDRM Cc1ccc([C@H]2CCCN2c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000832928818 601209078 /nfs/dbraw/zinc/20/90/78/601209078.db2.gz WXTPECDKAQBOOI-QGZVFWFLSA-N -1 0 397.431 3.368 20 5 GGBDRM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000833009469 601241805 /nfs/dbraw/zinc/24/18/05/601241805.db2.gz WQHLUZXGZBAHDC-LBPRGKRZSA-N -1 0 394.387 3.278 20 5 GGBDRM Cc1ccccc1[C@@H]1CCCN1c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977496 601250423 /nfs/dbraw/zinc/25/04/23/601250423.db2.gz LOULGYRBVGVMHB-PBHICJAKSA-N -1 0 397.431 3.448 20 5 GGBDRM Cc1ccccc1[C@@H](C)N(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977208 601250466 /nfs/dbraw/zinc/25/04/66/601250466.db2.gz PQWBRRVNXNPGJP-ZIAGYGMSSA-N -1 0 385.420 3.304 20 5 GGBDRM CN(C[C@H]1CCCO1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830718354 601250819 /nfs/dbraw/zinc/25/08/19/601250819.db2.gz QDXMAMJLBNQMKF-CQSZACIVSA-N -1 0 384.388 3.139 20 5 GGBDRM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000828994178 601269194 /nfs/dbraw/zinc/26/91/94/601269194.db2.gz HGTDZPSAJXEBQB-MRXNPFEDSA-N -1 0 378.406 3.031 20 5 GGBDRM CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828994412 601269333 /nfs/dbraw/zinc/26/93/33/601269333.db2.gz ZHFRAAPEXIBJBC-MRXNPFEDSA-N -1 0 378.406 3.031 20 5 GGBDRM CC[C@@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828994205 601269345 /nfs/dbraw/zinc/26/93/45/601269345.db2.gz KLTNZZGRQMSWOO-VGMNTSGFSA-N -1 0 390.417 3.122 20 5 GGBDRM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000828989186 601269854 /nfs/dbraw/zinc/26/98/54/601269854.db2.gz SIFRXNAOXWNOMD-AWEZNQCLSA-N -1 0 398.824 3.376 20 5 GGBDRM CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000828994156 601269938 /nfs/dbraw/zinc/26/99/38/601269938.db2.gz GHHVFCHEFBWKCQ-OAHLLOKOSA-N -1 0 378.406 3.031 20 5 GGBDRM Nc1c(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000237877482 601284951 /nfs/dbraw/zinc/28/49/51/601284951.db2.gz DGFNERPUZMBCNC-INIZCTEOSA-N -1 0 393.399 3.004 20 5 GGBDRM Nc1c(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000486394051 601284968 /nfs/dbraw/zinc/28/49/68/601284968.db2.gz MGOWEMPCDIAGAW-HNNXBMFYSA-N -1 0 393.399 3.004 20 5 GGBDRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000833300773 601287796 /nfs/dbraw/zinc/28/77/96/601287796.db2.gz PGNOHWFRIUGTLQ-KRWDZBQOSA-N -1 0 387.367 3.035 20 5 GGBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237630078 601298836 /nfs/dbraw/zinc/29/88/36/601298836.db2.gz QTKZQSHWXGDNCC-SGTLLEGYSA-N -1 0 383.404 3.361 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832481423 601308646 /nfs/dbraw/zinc/30/86/46/601308646.db2.gz GSODGOFGLNRAIF-CYBMUJFWSA-N -1 0 377.328 3.080 20 5 GGBDRM O=C([O-])CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)c(F)c1 ZINC000833249220 601317319 /nfs/dbraw/zinc/31/73/19/601317319.db2.gz MHPOXBKPWVNZJF-UHFFFAOYSA-N -1 0 377.303 3.101 20 5 GGBDRM CC[C@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828951284 601332531 /nfs/dbraw/zinc/33/25/31/601332531.db2.gz IWZRVASHIJCQNE-INIZCTEOSA-N -1 0 387.392 3.252 20 5 GGBDRM CC[C@@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828951285 601332556 /nfs/dbraw/zinc/33/25/56/601332556.db2.gz IWZRVASHIJCQNE-MRXNPFEDSA-N -1 0 387.392 3.252 20 5 GGBDRM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000833323522 601335728 /nfs/dbraw/zinc/33/57/28/601335728.db2.gz LCNKSSBDXXFSGV-UHFFFAOYSA-N -1 0 392.723 3.025 20 5 GGBDRM CC[C@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000828943522 601336944 /nfs/dbraw/zinc/33/69/44/601336944.db2.gz NRTAJSOLQRDJMH-INIZCTEOSA-N -1 0 375.381 3.487 20 5 GGBDRM O=C([O-])Nc1ccc(CNC(=O)COc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000833285703 601347870 /nfs/dbraw/zinc/34/78/70/601347870.db2.gz HFJWDEPMKRDHAJ-UHFFFAOYSA-N -1 0 379.756 3.033 20 5 GGBDRM NC(COc1cccc(C(=O)[O-])c1)=NOCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833089321 601352798 /nfs/dbraw/zinc/35/27/98/601352798.db2.gz MRFBTQHNYYPQHO-UHFFFAOYSA-N -1 0 379.756 3.024 20 5 GGBDRM O=C([O-])c1cccc(OCc2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)c1 ZINC000833332037 601366331 /nfs/dbraw/zinc/36/63/31/601366331.db2.gz GXDKVZCQGIMDJU-UHFFFAOYSA-N -1 0 380.316 3.403 20 5 GGBDRM O=C([O-])c1cc(-c2nc(-c3ccc(Br)o3)no2)cc([N+](=O)[O-])c1 ZINC000833293519 601370093 /nfs/dbraw/zinc/37/00/93/601370093.db2.gz AHYUDXSYXGBEDD-UHFFFAOYSA-N -1 0 380.110 3.366 20 5 GGBDRM Cc1ccc(NC(=O)c2ccc(N3CC[C@@](F)(C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000832947720 601379210 /nfs/dbraw/zinc/37/92/10/601379210.db2.gz BKJKVCINHPAWMJ-IBGZPJMESA-N -1 0 387.367 3.159 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1c(F)c(F)cc(F)c1F ZINC000833308332 601383758 /nfs/dbraw/zinc/38/37/58/601383758.db2.gz VQMPLDBAEXHWKE-UHFFFAOYSA-N -1 0 389.217 3.370 20 5 GGBDRM O=C([O-])c1cc(O[C@@H]2CCN(c3cccc(Cl)c3)C2=O)ccc1[N+](=O)[O-] ZINC000833300476 601389622 /nfs/dbraw/zinc/38/96/22/601389622.db2.gz GBNAFZBGKMRSOQ-OAHLLOKOSA-N -1 0 376.752 3.131 20 5 GGBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832856291 601394129 /nfs/dbraw/zinc/39/41/29/601394129.db2.gz PAKHBDRZWCUBRC-ZDUSSCGKSA-N -1 0 398.824 3.051 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000486039743 601394571 /nfs/dbraw/zinc/39/45/71/601394571.db2.gz JYZOCQGEZPSKOV-ADLMAVQZSA-N -1 0 395.371 3.040 20 5 GGBDRM Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000832903508 601394720 /nfs/dbraw/zinc/39/47/20/601394720.db2.gz KKRNRDBDGYFHFA-AWEZNQCLSA-N -1 0 398.824 3.051 20 5 GGBDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000832921617 601399260 /nfs/dbraw/zinc/39/92/60/601399260.db2.gz SZKROSHPEVWJRY-SNVBAGLBSA-N -1 0 398.824 3.294 20 5 GGBDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832920841 601399467 /nfs/dbraw/zinc/39/94/67/601399467.db2.gz IGIQUTDLSQRAER-AGEOTTOMSA-N -1 0 390.417 3.041 20 5 GGBDRM CC(C)(NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000826630806 601405820 /nfs/dbraw/zinc/40/58/20/601405820.db2.gz SCFHEOCXYRNWII-UHFFFAOYSA-N -1 0 398.824 3.160 20 5 GGBDRM CCS[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830157253 601410750 /nfs/dbraw/zinc/41/07/50/601410750.db2.gz GRIFUQLZMGVZOR-DJSGYFEHSA-N -1 0 395.481 3.274 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000833265427 601411959 /nfs/dbraw/zinc/41/19/59/601411959.db2.gz BIRYPDDPRVTZQQ-HNNXBMFYSA-N -1 0 377.784 3.263 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000593922566 601433970 /nfs/dbraw/zinc/43/39/70/601433970.db2.gz OQJWRUDKIDZBFA-CYBMUJFWSA-N -1 0 398.419 3.290 20 5 GGBDRM O=C([O-])CC1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC1 ZINC000262526033 601438952 /nfs/dbraw/zinc/43/89/52/601438952.db2.gz RSLJOGPVOJAJBH-UHFFFAOYSA-N -1 0 383.404 3.334 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000547886105 601476264 /nfs/dbraw/zinc/47/62/64/601476264.db2.gz OEOTZAAGGYRUDN-UHFFFAOYSA-N -1 0 390.417 3.051 20 5 GGBDRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262526930 601489155 /nfs/dbraw/zinc/48/91/55/601489155.db2.gz NTHCNIWAAODCIA-LJQANCHMSA-N -1 0 395.415 3.019 20 5 GGBDRM O=C([O-])c1cn(CC(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c2ccccc12 ZINC000833120473 601505772 /nfs/dbraw/zinc/50/57/72/601505772.db2.gz YBRCNNNYIGCIQK-UHFFFAOYSA-N -1 0 390.355 3.435 20 5 GGBDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832918994 601507620 /nfs/dbraw/zinc/50/76/20/601507620.db2.gz SADZZEJLCYWEDP-UHFFFAOYSA-N -1 0 385.781 3.331 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)Oc2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832886141 601513850 /nfs/dbraw/zinc/51/38/50/601513850.db2.gz YGPBHYLUZMTTJT-UHFFFAOYSA-N -1 0 377.783 3.084 20 5 GGBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000833234264 601518139 /nfs/dbraw/zinc/51/81/39/601518139.db2.gz GNQRJWWUBYMOCF-UHFFFAOYSA-N -1 0 385.401 3.322 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000832973201 601539876 /nfs/dbraw/zinc/53/98/76/601539876.db2.gz ZSVNZHGNZQSOAX-RDJZCZTQSA-N -1 0 389.452 3.197 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C1CC1 ZINC000767078652 601540074 /nfs/dbraw/zinc/54/00/74/601540074.db2.gz UYBIUMJTNOJEFU-QGZVFWFLSA-N -1 0 383.404 3.190 20 5 GGBDRM Cc1cc(NCc2cccc(CN3CCOCC3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583384599 601545170 /nfs/dbraw/zinc/54/51/70/601545170.db2.gz ZMXOSGFOLZFGBI-UHFFFAOYSA-N -1 0 385.420 3.046 20 5 GGBDRM Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890167 601545540 /nfs/dbraw/zinc/54/55/40/601545540.db2.gz UYYPEFCEEIFKJN-UHFFFAOYSA-N -1 0 379.413 3.095 20 5 GGBDRM Cc1cc(NCCNC(=O)c2ccccc2Cl)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897615 601545550 /nfs/dbraw/zinc/54/55/50/601545550.db2.gz WKFJCRQBGMRUHC-UHFFFAOYSA-N -1 0 377.784 3.097 20 5 GGBDRM Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898465 601545984 /nfs/dbraw/zinc/54/59/84/601545984.db2.gz LHALEFBKFYAPHK-KRWDZBQOSA-N -1 0 399.403 3.331 20 5 GGBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833233992 601559805 /nfs/dbraw/zinc/55/98/05/601559805.db2.gz KGCIPJNNTMDYOU-UHFFFAOYSA-N -1 0 397.309 3.126 20 5 GGBDRM Cc1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c(N2CCOCC2)c1 ZINC000832933713 601562548 /nfs/dbraw/zinc/56/25/48/601562548.db2.gz DHDAXCOKTMNRBV-DAXSKMNVSA-N -1 0 397.431 3.450 20 5 GGBDRM Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)[C@H](C(=O)[O-])C3)c([N+](=O)[O-])c2)cc1 ZINC000595973132 601562703 /nfs/dbraw/zinc/56/27/03/601562703.db2.gz FTPMHKUJGQNGFU-CZUORRHYSA-N -1 0 383.404 3.312 20 5 GGBDRM Cc1ccc([C@@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000832920559 601566277 /nfs/dbraw/zinc/56/62/77/601566277.db2.gz CZBPWKVRHOMRLP-VXGBXAGGSA-N -1 0 389.383 3.418 20 5 GGBDRM Cc1ccc([C@H](C)Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000832920469 601566278 /nfs/dbraw/zinc/56/62/78/601566278.db2.gz ATCJETQAQRQVKK-NSHDSACASA-N -1 0 375.356 3.030 20 5 GGBDRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833195793 601575209 /nfs/dbraw/zinc/57/52/09/601575209.db2.gz MZTAAJRBFSZWNF-OAHLLOKOSA-N -1 0 394.305 3.438 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833296008 601584362 /nfs/dbraw/zinc/58/43/62/601584362.db2.gz MJZRBWINHJOVJC-INIZCTEOSA-N -1 0 382.372 3.171 20 5 GGBDRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832849924 601584450 /nfs/dbraw/zinc/58/44/50/601584450.db2.gz XLZPKFYJJIXBIH-CQSZACIVSA-N -1 0 393.739 3.021 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000833296010 601584517 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HNLLWVXAXPGNBO-SUMWQHHRSA-N -1 0 398.419 3.242 20 5 GGBDRM CCCCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000776664249 601632652 /nfs/dbraw/zinc/63/26/52/601632652.db2.gz ORIYAAPQSUBYKQ-JTQLQIEISA-N -1 0 391.193 3.260 20 5 GGBDRM O=C([O-])c1ccc(OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000833117722 601641763 /nfs/dbraw/zinc/64/17/63/601641763.db2.gz UMCKWPXMIDASEG-UHFFFAOYSA-N -1 0 380.150 3.204 20 5 GGBDRM O=C([O-])Cc1ccc(OC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000833265420 601647877 /nfs/dbraw/zinc/64/78/77/601647877.db2.gz AMNVWTLHMRHZFO-UHFFFAOYSA-N -1 0 394.177 3.133 20 5 GGBDRM O=C([O-])c1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000833117226 601671511 /nfs/dbraw/zinc/67/15/11/601671511.db2.gz FWMISOLONAVNGC-UHFFFAOYSA-N -1 0 385.195 3.298 20 5 GGBDRM O=C([O-])Nc1ccc(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000833287292 601674643 /nfs/dbraw/zinc/67/46/43/601674643.db2.gz IIQHLZFPEHVIGM-UHFFFAOYSA-N -1 0 392.799 3.380 20 5 GGBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000833332539 601681367 /nfs/dbraw/zinc/68/13/67/601681367.db2.gz FAOWAHIQTZDMGR-OAQYLSRUSA-N -1 0 396.399 3.141 20 5 GGBDRM O=C([O-])[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000833116191 601698807 /nfs/dbraw/zinc/69/88/07/601698807.db2.gz NMKULAKQQUZYKT-OAHLLOKOSA-N -1 0 380.809 3.282 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000833116190 601699015 /nfs/dbraw/zinc/69/90/15/601699015.db2.gz NMKULAKQQUZYKT-HNNXBMFYSA-N -1 0 380.809 3.282 20 5 GGBDRM Cc1csc(Sc2ccc(C(=O)NCC(C)(C)C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000832989554 601707784 /nfs/dbraw/zinc/70/77/84/601707784.db2.gz MESNXFDQPYYOCP-UHFFFAOYSA-N -1 0 395.462 3.352 20 5 GGBDRM CCOc1cc(C(=O)OCc2cc(C(=O)[O-])sc2C)c([N+](=O)[O-])cc1OC ZINC000830038781 601711623 /nfs/dbraw/zinc/71/16/23/601711623.db2.gz SWWPRWIPTVGBJB-UHFFFAOYSA-N -1 0 395.389 3.427 20 5 GGBDRM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 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COC(=O)c1ccc2c(c1)CN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000831448769 604265494 /nfs/dbraw/zinc/26/54/94/604265494.db2.gz HJPBNSKZDSUIFS-UHFFFAOYSA-N -1 0 376.752 3.253 20 5 GGBDRM Cc1nc(C)n(C[C@H]2CCCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000832996429 604265913 /nfs/dbraw/zinc/26/59/13/604265913.db2.gz WIGGCYPWRBUVCM-LBPRGKRZSA-N -1 0 393.831 3.071 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCCNC(=O)c2ccc(F)cc2)cc1Cl ZINC000833140421 604265919 /nfs/dbraw/zinc/26/59/19/604265919.db2.gz RVTMCOKMCNATTH-UHFFFAOYSA-N -1 0 395.774 3.318 20 5 GGBDRM Cc1nc(C)n(C[C@@H]2CCCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000832996428 604266071 /nfs/dbraw/zinc/26/60/71/604266071.db2.gz WIGGCYPWRBUVCM-GFCCVEGCSA-N -1 0 393.831 3.071 20 5 GGBDRM CN(CCCNC(=O)OC(C)(C)C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830772318 604267482 /nfs/dbraw/zinc/26/74/82/604267482.db2.gz GTWNIXVQSSMEMF-UHFFFAOYSA-N -1 0 387.820 3.297 20 5 GGBDRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000833172506 604275962 /nfs/dbraw/zinc/27/59/62/604275962.db2.gz IQOPYPPCRWGWAF-CQSZACIVSA-N -1 0 381.841 3.258 20 5 GGBDRM Cc1cccc(C)c1CCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832964176 604283485 /nfs/dbraw/zinc/28/34/85/604283485.db2.gz FWODNQXIYORANX-CQSZACIVSA-N -1 0 385.420 3.069 20 5 GGBDRM Cc1cccc(C)c1CCNc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832964175 604283528 /nfs/dbraw/zinc/28/35/28/604283528.db2.gz FWODNQXIYORANX-AWEZNQCLSA-N -1 0 385.420 3.069 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCc2c(F)cc(F)cc2C1 ZINC000833308292 604285216 /nfs/dbraw/zinc/28/52/16/604285216.db2.gz UYCMHGMAKMEANE-UHFFFAOYSA-N -1 0 379.275 3.042 20 5 GGBDRM CC1(C)C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000538465162 604301404 /nfs/dbraw/zinc/30/14/04/604301404.db2.gz RJUOGHZMQRPRNU-HNNXBMFYSA-N -1 0 388.351 3.464 20 5 GGBDRM O=C([O-])CCN(C[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000833232821 604349791 /nfs/dbraw/zinc/34/97/91/604349791.db2.gz NWVCBEIRZWSVKM-KRWDZBQOSA-N -1 0 398.415 3.286 20 5 GGBDRM COc1ccccc1[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000832596913 604353997 /nfs/dbraw/zinc/35/39/97/604353997.db2.gz RZLTVIWRLHQXTC-GOSISDBHSA-N -1 0 396.355 3.414 20 5 GGBDRM COc1cc(CC2CN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)cc(OC)c1 ZINC000831982709 604373432 /nfs/dbraw/zinc/37/34/32/604373432.db2.gz CLHIQHFCPPLADB-UHFFFAOYSA-N -1 0 386.404 3.298 20 5 GGBDRM COc1ccc(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832287259 604376027 /nfs/dbraw/zinc/37/60/27/604376027.db2.gz KNHVBNGQDOCRRZ-GOSISDBHSA-N -1 0 386.404 3.114 20 5 GGBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826090071 604383876 /nfs/dbraw/zinc/38/38/76/604383876.db2.gz PGSIDFVSGUIKSH-GOSISDBHSA-N -1 0 386.404 3.332 20 5 GGBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000826089069 604386883 /nfs/dbraw/zinc/38/68/83/604386883.db2.gz HMDXIDVYIWYDQJ-QGZVFWFLSA-N -1 0 390.367 3.081 20 5 GGBDRM O=C([O-])c1cccc(NC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000833332754 604422891 /nfs/dbraw/zinc/42/28/91/604422891.db2.gz XJFZTTFMHOYWFC-UHFFFAOYSA-N -1 0 384.392 3.401 20 5 GGBDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000833026057 604435813 /nfs/dbraw/zinc/43/58/13/604435813.db2.gz UOFVDFDAUKPAFD-UHFFFAOYSA-N -1 0 384.138 3.314 20 5 GGBDRM O=C([O-])[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000833350367 604436324 /nfs/dbraw/zinc/43/63/24/604436324.db2.gz KAXQHXNVBAGJLO-CYBMUJFWSA-N -1 0 398.140 3.479 20 5 GGBDRM O=C([O-])[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833349390 604436490 /nfs/dbraw/zinc/43/64/90/604436490.db2.gz CXNKLKLCSLQRIJ-ZDUSSCGKSA-N -1 0 380.150 3.340 20 5 GGBDRM 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ZINC000832957774 604788761 /nfs/dbraw/zinc/78/87/61/604788761.db2.gz KLFLOTIQXIWSAT-UHFFFAOYSA-N -1 0 383.404 3.318 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000832905916 604791054 /nfs/dbraw/zinc/79/10/54/604791054.db2.gz YYHDGBLKZLOUDT-UHFFFAOYSA-N -1 0 383.404 3.318 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000833306613 604812075 /nfs/dbraw/zinc/81/20/75/604812075.db2.gz DMLRDCQJDKQWCJ-SNVBAGLBSA-N -1 0 397.409 3.058 20 5 GGBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000591674852 604847196 /nfs/dbraw/zinc/84/71/96/604847196.db2.gz XVAYGFIUQKRZMZ-QGZVFWFLSA-N -1 0 399.403 3.124 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000738560904 604858813 /nfs/dbraw/zinc/85/88/13/604858813.db2.gz IPVGXZCJGDIKKF-ZDUSSCGKSA-N -1 0 393.193 3.303 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000238176057 604863540 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NEWBKIKZHHZNHI-NSHDSACASA-N -1 0 380.788 3.041 20 5 GGBDRM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833408622 604937326 /nfs/dbraw/zinc/93/73/26/604937326.db2.gz HBNSVSBAKKDFGI-NWDGAFQWSA-N -1 0 397.859 3.398 20 5 GGBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000833531764 604938992 /nfs/dbraw/zinc/93/89/92/604938992.db2.gz CVFZAHYRROKNCV-SNVBAGLBSA-N -1 0 383.316 3.261 20 5 GGBDRM O=C([O-])COc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000833261889 604948099 /nfs/dbraw/zinc/94/80/99/604948099.db2.gz RPYWGAAMQBKCOD-UHFFFAOYSA-N -1 0 385.376 3.255 20 5 GGBDRM C[C@@]1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833567012 604964505 /nfs/dbraw/zinc/96/45/05/604964505.db2.gz DFAIODUDTQOCHZ-IAQYHMDHSA-N -1 0 385.214 3.121 20 5 GGBDRM C[C@@]1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC[C@H]1C(=O)[O-] ZINC000262774380 604964717 /nfs/dbraw/zinc/96/47/17/604964717.db2.gz LQHQSHDEZFWDEA-SCLBCKFNSA-N -1 0 389.433 3.482 20 5 GGBDRM C[C@@]1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000262774377 604964730 /nfs/dbraw/zinc/96/47/30/604964730.db2.gz LQHQSHDEZFWDEA-FZKQIMNGSA-N -1 0 389.433 3.482 20 5 GGBDRM C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC[C@H]1C(=O)[O-] ZINC000833567793 604965825 /nfs/dbraw/zinc/96/58/25/604965825.db2.gz QNNUWQKPFNGVGA-NHYWBVRUSA-N -1 0 385.214 3.121 20 5 GGBDRM C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC[C@@H]1C(=O)[O-] ZINC000833570561 604968018 /nfs/dbraw/zinc/96/80/18/604968018.db2.gz CPBXSBGVRXJLRI-ABAIWWIYSA-N -1 0 385.214 3.121 20 5 GGBDRM C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC[C@@H]1C(=O)[O-] ZINC000833570562 604968144 /nfs/dbraw/zinc/96/81/44/604968144.db2.gz CPBXSBGVRXJLRI-IAQYHMDHSA-N -1 0 385.214 3.121 20 5 GGBDRM C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC[C@H]1C(=O)[O-] ZINC000833570564 604968397 /nfs/dbraw/zinc/96/83/97/604968397.db2.gz CPBXSBGVRXJLRI-XHDPSFHLSA-N -1 0 385.214 3.121 20 5 GGBDRM 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ZINC000833530839 605007794 /nfs/dbraw/zinc/00/77/94/605007794.db2.gz GIXCYHIQCYPIGM-LLVKDONJSA-N -1 0 376.390 3.475 20 5 GGBDRM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1ccncc1 ZINC000833530186 605018420 /nfs/dbraw/zinc/01/84/20/605018420.db2.gz BHWDRNMLAYVVBS-NSHDSACASA-N -1 0 376.390 3.475 20 5 GGBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833498346 605021130 /nfs/dbraw/zinc/02/11/30/605021130.db2.gz NNZIPOHZWHNQLI-UHFFFAOYSA-N -1 0 396.396 3.031 20 5 GGBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@@H](C)S1 ZINC000833620959 605021259 /nfs/dbraw/zinc/02/12/59/605021259.db2.gz IURHYFJZTGHPQC-GHMZBOCLSA-N -1 0 384.479 3.128 20 5 GGBDRM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCS1 ZINC000833559716 605021933 /nfs/dbraw/zinc/02/19/33/605021933.db2.gz FPMIRTYKEKUKQM-UHFFFAOYSA-N -1 0 384.479 3.129 20 5 GGBDRM CCc1cc(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])[nH]n1 ZINC000833672040 605036493 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ZINC000108759292 1411600443 /nfs/dbraw/zinc/60/04/43/1411600443.db2.gz PZHOJTODYPYBFO-UHFFFAOYSA-N -1 0 399.222 3.361 20 5 GGBDRM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1C(=O)NC(C)C ZINC000108762731 1411601686 /nfs/dbraw/zinc/60/16/86/1411601686.db2.gz QYKNOUZNLNVEFD-UHFFFAOYSA-N -1 0 391.449 3.151 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)c([N+](=O)[O-])c1 ZINC000108762690 1411601902 /nfs/dbraw/zinc/60/19/02/1411601902.db2.gz HSCUCNIHILYFHH-UHFFFAOYSA-N -1 0 391.449 3.151 20 5 GGBDRM Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000112160503 1412084857 /nfs/dbraw/zinc/08/48/57/1412084857.db2.gz IZDMKTNDKQUKGF-UHFFFAOYSA-N -1 0 382.463 3.183 20 5 GGBDRM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470306 1428627062 /nfs/dbraw/zinc/62/70/62/1428627062.db2.gz LRTNHGYLFPBMBK-UHFFFAOYSA-N -1 0 392.400 3.193 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000115924664 1412815992 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/nfs/dbraw/zinc/88/52/25/1412885225.db2.gz GMYQGJFKLBYGAV-CYBMUJFWSA-N -1 0 376.434 3.210 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000116601638 1412885697 /nfs/dbraw/zinc/88/56/97/1412885697.db2.gz BCCXPRMKGVCPAR-UHFFFAOYSA-N -1 0 376.438 3.089 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1C ZINC000116712010 1412900850 /nfs/dbraw/zinc/90/08/50/1412900850.db2.gz HRGVHPQSYWGMHC-VWLOTQADSA-N -1 0 396.490 3.199 20 5 GGBDRM CC(C)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCCO1 ZINC000819984035 1428690024 /nfs/dbraw/zinc/69/00/24/1428690024.db2.gz NYODAHSUHBYMMI-MRXNPFEDSA-N -1 0 397.439 3.330 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C)c1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822271161 1428712561 /nfs/dbraw/zinc/71/25/61/1428712561.db2.gz OXGIDVUXEAAYIF-UHFFFAOYSA-N -1 0 392.379 3.054 20 5 GGBDRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000119078139 1413327985 /nfs/dbraw/zinc/32/79/85/1413327985.db2.gz VDNUSKOULYRUPK-MRVPVSSYSA-N -1 0 386.330 3.167 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000119080871 1413328672 /nfs/dbraw/zinc/32/86/72/1413328672.db2.gz ZGSAIEOQUVMFTJ-UHFFFAOYSA-N -1 0 397.478 3.294 20 5 GGBDRM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920146 1428723589 /nfs/dbraw/zinc/72/35/89/1428723589.db2.gz LUPBADFBWDHYBH-PXAZEXFGSA-N -1 0 395.423 3.286 20 5 GGBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000119151347 1413356644 /nfs/dbraw/zinc/35/66/44/1413356644.db2.gz NGGVBYLXMRHTRN-CYBMUJFWSA-N -1 0 393.440 3.374 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)cc1[N+](=O)[O-] ZINC000119170845 1413364377 /nfs/dbraw/zinc/36/43/77/1413364377.db2.gz UMZIKNJYPVTREA-UHFFFAOYSA-N -1 0 397.478 3.212 20 5 GGBDRM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc2)o1 ZINC000119273453 1413396420 /nfs/dbraw/zinc/39/64/20/1413396420.db2.gz GPWBHQNBMGLGDE-UHFFFAOYSA-N -1 0 394.434 3.378 20 5 GGBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)nn1-c1cccc(F)c1 ZINC000119422756 1413442047 /nfs/dbraw/zinc/44/20/47/1413442047.db2.gz FNFFZTZEYZGMDP-UHFFFAOYSA-N -1 0 396.425 3.399 20 5 GGBDRM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000119648856 1413515669 /nfs/dbraw/zinc/51/56/69/1413515669.db2.gz SJVQAHFEKDMOLQ-UHFFFAOYSA-N -1 0 391.449 3.151 20 5 GGBDRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119769795 1413562768 /nfs/dbraw/zinc/56/27/68/1413562768.db2.gz FSTFOZWEGWHQSV-MRVPVSSYSA-N -1 0 386.330 3.167 20 5 GGBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(c2ccccc2)CCC1 ZINC000119975439 1413638869 /nfs/dbraw/zinc/63/88/69/1413638869.db2.gz IYEJSYJBCHDLIX-UHFFFAOYSA-N -1 0 394.836 3.175 20 5 GGBDRM Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119975242 1413638872 /nfs/dbraw/zinc/63/88/72/1413638872.db2.gz VMEURKIPFFVJMW-UHFFFAOYSA-N -1 0 384.464 3.072 20 5 GGBDRM 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O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cs1 ZINC000120137998 1413702643 /nfs/dbraw/zinc/70/26/43/1413702643.db2.gz KSGXHUWNALISDH-UHFFFAOYSA-N -1 0 382.341 3.398 20 5 GGBDRM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120138508 1413702706 /nfs/dbraw/zinc/70/27/06/1413702706.db2.gz DRXPVSLQZUWTBE-UHFFFAOYSA-N -1 0 396.475 3.342 20 5 GGBDRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(Cl)c3)cc21 ZINC000120194254 1413726619 /nfs/dbraw/zinc/72/66/19/1413726619.db2.gz ACDICYIRUCNKPX-UHFFFAOYSA-N -1 0 395.824 3.279 20 5 GGBDRM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1C(=O)N1CCCC1 ZINC000120226215 1413739299 /nfs/dbraw/zinc/73/92/99/1413739299.db2.gz JLYSWNOVYRJLPN-UHFFFAOYSA-N -1 0 395.462 3.002 20 5 GGBDRM Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120237672 1413745589 /nfs/dbraw/zinc/74/55/89/1413745589.db2.gz NNSZDJZFTUOQSU-UHFFFAOYSA-N -1 0 396.475 3.342 20 5 GGBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120245081 1413748691 /nfs/dbraw/zinc/74/86/91/1413748691.db2.gz VRGCBGUKKXIJQY-UHFFFAOYSA-N -1 0 375.815 3.069 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cs1 ZINC000120291050 1413770147 /nfs/dbraw/zinc/77/01/47/1413770147.db2.gz IWLHEZFBLFXDLU-UHFFFAOYSA-N -1 0 384.826 3.296 20 5 GGBDRM COc1cccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000120493971 1413829805 /nfs/dbraw/zinc/82/98/05/1413829805.db2.gz XYQZQOKHDKNHMR-UHFFFAOYSA-N -1 0 387.211 3.167 20 5 GGBDRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120575792 1413846741 /nfs/dbraw/zinc/84/67/41/1413846741.db2.gz QJMIBOGHPZXXPO-UHFFFAOYSA-N -1 0 399.222 3.361 20 5 GGBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000120639191 1413862591 /nfs/dbraw/zinc/86/25/91/1413862591.db2.gz NVCNASXCRWFVOJ-SSDOTTSWSA-N -1 0 392.817 3.057 20 5 GGBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000120830665 1413918544 /nfs/dbraw/zinc/91/85/44/1413918544.db2.gz CMANXVCLKYDLIX-UHFFFAOYSA-N -1 0 375.175 3.297 20 5 GGBDRM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120880496 1413935656 /nfs/dbraw/zinc/93/56/56/1413935656.db2.gz ZVWNCDXICYTCAM-QGZVFWFLSA-N -1 0 385.420 3.392 20 5 GGBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000121107445 1414009852 /nfs/dbraw/zinc/00/98/52/1414009852.db2.gz OSLFSZLKQLUBAN-UHFFFAOYSA-N -1 0 394.302 3.476 20 5 GGBDRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000121502022 1414153386 /nfs/dbraw/zinc/15/33/86/1414153386.db2.gz IPZIBGAKGDHBLH-CQSZACIVSA-N -1 0 390.461 3.297 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1F ZINC000121877525 1414287789 /nfs/dbraw/zinc/28/77/89/1414287789.db2.gz VDGRLJYTSVGLPA-UHFFFAOYSA-N -1 0 378.381 3.362 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1F ZINC000121938585 1414315207 /nfs/dbraw/zinc/31/52/07/1414315207.db2.gz KJLROLBXYGTQDR-UHFFFAOYSA-N -1 0 382.398 3.295 20 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ZINC000123681523 1414809077 /nfs/dbraw/zinc/80/90/77/1414809077.db2.gz YWXOEQIMVKCHNQ-CYBMUJFWSA-N -1 0 382.413 3.180 20 5 GGBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000123718982 1414814817 /nfs/dbraw/zinc/81/48/17/1414814817.db2.gz BDESNWBISNZUTJ-VIFPVBQESA-N -1 0 390.339 3.375 20 5 GGBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000123719215 1414814905 /nfs/dbraw/zinc/81/49/05/1414814905.db2.gz BDESNWBISNZUTJ-SECBINFHSA-N -1 0 390.339 3.375 20 5 GGBDRM Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)c1 ZINC000123772561 1414822616 /nfs/dbraw/zinc/82/26/16/1414822616.db2.gz MJWAKJGPRDKHGV-AWEZNQCLSA-N -1 0 376.434 3.129 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)ccc1Cl ZINC000123849039 1414834223 /nfs/dbraw/zinc/83/42/23/1414834223.db2.gz OZTYLVYKZCGNPK-UHFFFAOYSA-N -1 0 396.787 3.374 20 5 GGBDRM Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000124382331 1414953666 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376.312 3.179 20 5 GGBDRM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000131224147 1416525912 /nfs/dbraw/zinc/52/59/12/1416525912.db2.gz AKIXNCFYXQEAFQ-UHFFFAOYSA-N -1 0 391.449 3.186 20 5 GGBDRM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131243004 1416528747 /nfs/dbraw/zinc/52/87/47/1416528747.db2.gz XLICURNHEZBAMC-UHFFFAOYSA-N -1 0 395.824 3.176 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000131278980 1416534195 /nfs/dbraw/zinc/53/41/95/1416534195.db2.gz WIONUSVEIOMAJQ-UHFFFAOYSA-N -1 0 392.824 3.294 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000131363796 1416545478 /nfs/dbraw/zinc/54/54/78/1416545478.db2.gz LSORXBXDJXMTCI-UHFFFAOYSA-N -1 0 386.389 3.302 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000131382066 1416548367 /nfs/dbraw/zinc/54/83/67/1416548367.db2.gz IOOBMUNWMWFYGZ-UHFFFAOYSA-N -1 0 396.852 3.339 20 5 GGBDRM 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ZINC000180051706 1429715127 /nfs/dbraw/zinc/71/51/27/1429715127.db2.gz IMZWYRDAZWKFQC-UHFFFAOYSA-N -1 0 383.326 3.258 20 5 GGBDRM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000158645352 1424309039 /nfs/dbraw/zinc/30/90/39/1424309039.db2.gz SOIROJUTYMVOMK-UHFFFAOYSA-N -1 0 392.824 3.294 20 5 GGBDRM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000158653400 1424311316 /nfs/dbraw/zinc/31/13/16/1424311316.db2.gz JLHJSBAYNASOMO-UHFFFAOYSA-N -1 0 397.840 3.187 20 5 GGBDRM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000158671778 1424314645 /nfs/dbraw/zinc/31/46/45/1424314645.db2.gz KDNKTATZAFWROO-CYBMUJFWSA-N -1 0 391.449 3.232 20 5 GGBDRM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc21 ZINC000158726703 1424328523 /nfs/dbraw/zinc/32/85/23/1424328523.db2.gz RDSSYAFZVQPWBV-UHFFFAOYSA-N -1 0 389.433 3.003 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1NC(C)=O ZINC000158737011 1424330726 /nfs/dbraw/zinc/33/07/26/1424330726.db2.gz WFZVPJUHVLZVQK-UHFFFAOYSA-N -1 0 399.375 3.195 20 5 GGBDRM CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000159219837 1424449767 /nfs/dbraw/zinc/44/97/67/1424449767.db2.gz ONXFIMASBLOKBE-UHFFFAOYSA-N -1 0 387.421 3.052 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159828301 1424540805 /nfs/dbraw/zinc/54/08/05/1424540805.db2.gz UDEJFXQJOVQQJE-CJNGLKHVSA-N -1 0 394.424 3.180 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159827874 1424540974 /nfs/dbraw/zinc/54/09/74/1424540974.db2.gz UDEJFXQJOVQQJE-XJKSGUPXSA-N -1 0 394.424 3.180 20 5 GGBDRM C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)C1 ZINC000160101197 1424574119 /nfs/dbraw/zinc/57/41/19/1424574119.db2.gz MRCKDHPFZHCWPW-NSHDSACASA-N -1 0 376.438 3.241 20 5 GGBDRM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160149709 1424580456 /nfs/dbraw/zinc/58/04/56/1424580456.db2.gz JRGNBBCIOPIHHM-UHFFFAOYSA-N -1 0 394.431 3.406 20 5 GGBDRM CCc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cnn1CC(C)C ZINC000160360486 1424598384 /nfs/dbraw/zinc/59/83/84/1424598384.db2.gz HQANNRRMEFMPIA-UHFFFAOYSA-N -1 0 380.470 3.427 20 5 GGBDRM CCc1c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnn1CC(C)C ZINC000160390295 1424600365 /nfs/dbraw/zinc/60/03/65/1424600365.db2.gz VZGCANFVIHKUBI-UHFFFAOYSA-N -1 0 380.470 3.427 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000160479032 1424607689 /nfs/dbraw/zinc/60/76/89/1424607689.db2.gz MCMKYBVSIOOXDT-CYBMUJFWSA-N -1 0 376.434 3.292 20 5 GGBDRM Cc1c(NC(=O)[C@@H](C)O[N-]C(=O)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000160803073 1424635994 /nfs/dbraw/zinc/63/59/94/1424635994.db2.gz FTODTBFAUGFAND-CQSZACIVSA-N -1 0 385.420 3.256 20 5 GGBDRM Cc1c(NC(=O)[C@H](C)O[N-]C(=O)C(C)(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000160803194 1424636246 /nfs/dbraw/zinc/63/62/46/1424636246.db2.gz FTODTBFAUGFAND-AWEZNQCLSA-N -1 0 385.420 3.256 20 5 GGBDRM Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c([N+](=O)[O-])c1 ZINC000826292282 1424656080 /nfs/dbraw/zinc/65/60/80/1424656080.db2.gz ORKGBEYKVAETKE-UHFFFAOYSA-N -1 0 390.197 3.425 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000180121352 1429745999 /nfs/dbraw/zinc/74/59/99/1429745999.db2.gz WLXCMTLPYJGJIS-UHFFFAOYSA-N -1 0 385.401 3.466 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000180123701 1429746855 /nfs/dbraw/zinc/74/68/55/1429746855.db2.gz CODNNDAJNBMALF-UHFFFAOYSA-N -1 0 385.401 3.466 20 5 GGBDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000161534935 1424702470 /nfs/dbraw/zinc/70/24/70/1424702470.db2.gz PCNHZAYCUXVCOM-UHFFFAOYSA-N -1 0 377.422 3.279 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c(C(F)(F)F)c1 ZINC000161593918 1424719754 /nfs/dbraw/zinc/71/97/54/1424719754.db2.gz RJFPZBUDOITHJB-UHFFFAOYSA-N -1 0 398.322 3.358 20 5 GGBDRM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823187104 1424741034 /nfs/dbraw/zinc/74/10/34/1424741034.db2.gz BCGYBVBPYCMPQS-UHFFFAOYSA-N -1 0 399.386 3.058 20 5 GGBDRM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738210627 1424785847 /nfs/dbraw/zinc/78/58/47/1424785847.db2.gz SFQYCOFKDITZMR-UHFFFAOYSA-N -1 0 388.384 3.107 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)c1C ZINC000162142541 1424819558 /nfs/dbraw/zinc/81/95/58/1424819558.db2.gz GGZFXPVZODVZKD-UHFFFAOYSA-N -1 0 391.449 3.151 20 5 GGBDRM CCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000162143551 1424819601 /nfs/dbraw/zinc/81/96/01/1424819601.db2.gz IATLGBVGNIJTEV-UHFFFAOYSA-N -1 0 391.449 3.071 20 5 GGBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162344127 1424840055 /nfs/dbraw/zinc/84/00/55/1424840055.db2.gz VYKMXKDZTBLOAJ-UHFFFAOYSA-N -1 0 391.327 3.126 20 5 GGBDRM CN(Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1)C(=O)C(F)(F)F ZINC000163067329 1424934694 /nfs/dbraw/zinc/93/46/94/1424934694.db2.gz MLNILRIXNCICDI-UHFFFAOYSA-N -1 0 397.309 3.073 20 5 GGBDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1Cl ZINC000820456556 1425007233 /nfs/dbraw/zinc/00/72/33/1425007233.db2.gz VHPMRCRVOYZSHL-ANRSDYALSA-N -1 0 392.778 3.101 20 5 GGBDRM C[C@@H](CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1nccs1 ZINC000824413286 1425030976 /nfs/dbraw/zinc/03/09/76/1425030976.db2.gz KHXITSHIKRQASA-JTQLQIEISA-N -1 0 396.436 3.020 20 5 GGBDRM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000163949417 1425060586 /nfs/dbraw/zinc/06/05/86/1425060586.db2.gz VOKLPFUNQKVFJU-UHFFFAOYSA-N -1 0 397.478 3.248 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000163945671 1425060593 /nfs/dbraw/zinc/06/05/93/1425060593.db2.gz QPYSGXJFRGKODT-UHFFFAOYSA-N -1 0 397.478 3.151 20 5 GGBDRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)n[nH]1 ZINC000164039517 1425070678 /nfs/dbraw/zinc/07/06/78/1425070678.db2.gz AONSJQXJERTFOY-UHFFFAOYSA-N -1 0 392.368 3.359 20 5 GGBDRM O=C(CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000164295094 1425096142 /nfs/dbraw/zinc/09/61/42/1425096142.db2.gz SJOYLWZYLGMROK-UHFFFAOYSA-N -1 0 377.784 3.103 20 5 GGBDRM Cc1ccc(C)c([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)[C@@H](C)CO2)c1 ZINC000822231700 1425099584 /nfs/dbraw/zinc/09/95/84/1425099584.db2.gz DTQKQONCHMYEKN-IFXJQAMLSA-N -1 0 394.435 3.358 20 5 GGBDRM CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164752829 1425140327 /nfs/dbraw/zinc/14/03/27/1425140327.db2.gz HGFLMMICWBJPKV-UHFFFAOYSA-N -1 0 395.415 3.455 20 5 GGBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000164895761 1425149197 /nfs/dbraw/zinc/14/91/97/1425149197.db2.gz OISIVCRFSGXCJQ-SECBINFHSA-N -1 0 388.767 3.495 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCC(F)(F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645954 1425149131 /nfs/dbraw/zinc/14/91/31/1425149131.db2.gz XQHCQQHCMSBONK-SECBINFHSA-N -1 0 375.339 3.313 20 5 GGBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724087 1425155171 /nfs/dbraw/zinc/15/51/71/1425155171.db2.gz YIJFCCHXIRUNTA-NSHDSACASA-N -1 0 390.359 3.241 20 5 GGBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000165235895 1425172441 /nfs/dbraw/zinc/17/24/41/1425172441.db2.gz LADSCHNAYYWUHY-ARFHVFGLSA-N -1 0 380.466 3.147 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1F ZINC000165635767 1425190383 /nfs/dbraw/zinc/19/03/83/1425190383.db2.gz VNRHFLNGQRWTAI-UHFFFAOYSA-N -1 0 390.190 3.001 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166116688 1425206876 /nfs/dbraw/zinc/20/68/76/1425206876.db2.gz RJNNDFODESIUQA-GFCCVEGCSA-N -1 0 385.420 3.355 20 5 GGBDRM 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COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1C ZINC000194221972 1433141753 /nfs/dbraw/zinc/14/17/53/1433141753.db2.gz DVYOXRRNZFLTDA-UHFFFAOYSA-N -1 0 380.426 3.024 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)ccc1[N+](=O)[O-] ZINC000194229957 1433143969 /nfs/dbraw/zinc/14/39/69/1433143969.db2.gz CSNFNZBNSHKVSK-UHFFFAOYSA-N -1 0 380.426 3.024 20 5 GGBDRM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194614727 1433205576 /nfs/dbraw/zinc/20/55/76/1433205576.db2.gz JBRGLVGNWVUIGK-UHFFFAOYSA-N -1 0 387.776 3.147 20 5 GGBDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194722058 1433220010 /nfs/dbraw/zinc/22/00/10/1433220010.db2.gz DTBQLVIYZQETKW-UHFFFAOYSA-N -1 0 390.396 3.337 20 5 GGBDRM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000194725511 1433220523 /nfs/dbraw/zinc/22/05/23/1433220523.db2.gz IQWIEVIKWXEYNK-UHFFFAOYSA-N -1 0 391.449 3.151 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000194765241 1433226964 /nfs/dbraw/zinc/22/69/64/1433226964.db2.gz NWONSVPPVBKUCS-UHFFFAOYSA-N -1 0 390.396 3.088 20 5 GGBDRM Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000194775322 1433229178 /nfs/dbraw/zinc/22/91/78/1433229178.db2.gz KQHIQVJMRHYJOD-UHFFFAOYSA-N -1 0 388.405 3.371 20 5 GGBDRM Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000194775450 1433229480 /nfs/dbraw/zinc/22/94/80/1433229480.db2.gz HOPGPTJJLVOJEK-UHFFFAOYSA-N -1 0 388.405 3.371 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)o1 ZINC000194781860 1433230870 /nfs/dbraw/zinc/23/08/70/1433230870.db2.gz RRJBPHVFLGRMAT-UHFFFAOYSA-N -1 0 380.426 3.389 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c1C ZINC000194782524 1433231244 /nfs/dbraw/zinc/23/12/44/1433231244.db2.gz WMGCSMPRYJOKGT-UHFFFAOYSA-N -1 0 380.426 3.443 20 5 GGBDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)o2)c(C)c1 ZINC000194836565 1433244773 /nfs/dbraw/zinc/24/47/73/1433244773.db2.gz MLBFXFFQJRORJK-UHFFFAOYSA-N -1 0 388.405 3.371 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)o1 ZINC000194894923 1433258817 /nfs/dbraw/zinc/25/88/17/1433258817.db2.gz HMFLNCBEFGUQSS-UHFFFAOYSA-N -1 0 394.453 3.464 20 5 GGBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)cc1[N+](=O)[O-] ZINC000194898849 1433260163 /nfs/dbraw/zinc/26/01/63/1433260163.db2.gz MXQIUVIRZSVDPB-UHFFFAOYSA-N -1 0 380.426 3.128 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC2CCCC2)o1 ZINC000194899214 1433260312 /nfs/dbraw/zinc/26/03/12/1433260312.db2.gz YSDFXPHARJAHTK-UHFFFAOYSA-N -1 0 380.426 3.074 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)c1C ZINC000194899114 1433260359 /nfs/dbraw/zinc/26/03/59/1433260359.db2.gz IXPTVPMTJXTKLQ-UHFFFAOYSA-N -1 0 380.426 3.128 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nnc(CCCc2cccs2)o1 ZINC000194926047 1433265921 /nfs/dbraw/zinc/26/59/21/1433265921.db2.gz ZJTQALJDBWUHHA-UHFFFAOYSA-N -1 0 394.434 3.015 20 5 GGBDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000194958251 1433272431 /nfs/dbraw/zinc/27/24/31/1433272431.db2.gz GAHUMXJXEGPPGM-OAHLLOKOSA-N -1 0 388.405 3.321 20 5 GGBDRM Cc1ccc(F)cc1-c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000194985212 1433276637 /nfs/dbraw/zinc/27/66/37/1433276637.db2.gz ZCSVBDUKNQTJDI-UHFFFAOYSA-N -1 0 392.368 3.202 20 5 GGBDRM Cc1ccc(F)cc1-c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000194986997 1433276972 /nfs/dbraw/zinc/27/69/72/1433276972.db2.gz VZRLOCYEWFHBEC-UHFFFAOYSA-N -1 0 392.368 3.202 20 5 GGBDRM CC(C)CN(CCC(=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236723557 1433377019 /nfs/dbraw/zinc/37/70/19/1433377019.db2.gz IDMVELOUAKQIFL-UHFFFAOYSA-N -1 0 380.444 3.114 20 5 GGBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000236753050 1433377863 /nfs/dbraw/zinc/37/78/63/1433377863.db2.gz KIVUWSDISWRHPI-UHFFFAOYSA-N -1 0 391.468 3.404 20 5 GGBDRM CCC[C@@](C)(NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000236948097 1433383788 /nfs/dbraw/zinc/38/37/88/1433383788.db2.gz RJAVAPQAFKYXHN-OAHLLOKOSA-N -1 0 391.346 3.175 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237930619 1433435339 /nfs/dbraw/zinc/43/53/39/1433435339.db2.gz KSTFNGYRWYTCJY-AWEZNQCLSA-N -1 0 395.774 3.131 20 5 GGBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237940049 1433435875 /nfs/dbraw/zinc/43/58/75/1433435875.db2.gz DDZBCJZFYYJXSD-HNNXBMFYSA-N -1 0 375.425 3.055 20 5 GGBDRM O=C([O-])c1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000237982747 1433438073 /nfs/dbraw/zinc/43/80/73/1433438073.db2.gz RNXBSEGYXIWZFS-UHFFFAOYSA-N -1 0 386.257 3.381 20 5 GGBDRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000238135718 1433444038 /nfs/dbraw/zinc/44/40/38/1433444038.db2.gz CXTKFLZOSQQDJP-UHFFFAOYSA-N -1 0 382.294 3.341 20 5 GGBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238154227 1433444731 /nfs/dbraw/zinc/44/47/31/1433444731.db2.gz LHAYJZQYIITPCQ-UHFFFAOYSA-N -1 0 397.412 3.445 20 5 GGBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245932863 1433546340 /nfs/dbraw/zinc/54/63/40/1433546340.db2.gz QYAOHRFXXXMNIV-RWMBFGLXSA-N -1 0 384.429 3.145 20 5 GGBDRM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000261976336 1433918556 /nfs/dbraw/zinc/91/85/56/1433918556.db2.gz GFHUIRCLBOFVOH-KSSFIOAISA-N -1 0 384.388 3.191 20 5 GGBDRM CC(C)CCSc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262114919 1433927585 /nfs/dbraw/zinc/92/75/85/1433927585.db2.gz FTFJOUWQQPRFGU-IUODEOHRSA-N -1 0 396.465 3.047 20 5 GGBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2 ZINC000262137787 1433928566 /nfs/dbraw/zinc/92/85/66/1433928566.db2.gz IHIHRXGUFADTNQ-UHFFFAOYSA-N -1 0 395.415 3.092 20 5 GGBDRM O=C([O-])CCCCCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262166530 1433929555 /nfs/dbraw/zinc/92/95/55/1433929555.db2.gz KYDMFKHTEDDMGS-UHFFFAOYSA-N -1 0 375.381 3.004 20 5 GGBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000262251273 1433932398 /nfs/dbraw/zinc/93/23/98/1433932398.db2.gz QCBUKRUKNKJORB-LLVKDONJSA-N -1 0 397.387 3.133 20 5 GGBDRM CCOc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000262386488 1433937486 /nfs/dbraw/zinc/93/74/86/1433937486.db2.gz LLDVRDPYORQBLO-UHFFFAOYSA-N -1 0 388.376 3.272 20 5 GGBDRM COCCN(CCCc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262593594 1433945289 /nfs/dbraw/zinc/94/52/89/1433945289.db2.gz IKVIDVZWOPHHCK-UHFFFAOYSA-N -1 0 386.404 3.014 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000262795175 1433956678 /nfs/dbraw/zinc/95/66/78/1433956678.db2.gz CFCAGDKVXWQZIE-DLBZAZTESA-N -1 0 382.416 3.460 20 5 GGBDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000262860087 1433962122 /nfs/dbraw/zinc/96/21/22/1433962122.db2.gz AHCSLQQAZCTDJY-CZUORRHYSA-N -1 0 383.404 3.142 20 5 GGBDRM C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000262933904 1433968179 /nfs/dbraw/zinc/96/81/79/1433968179.db2.gz KFOXBRQOJZIRFC-WMLDXEAASA-N -1 0 397.431 3.390 20 5 GGBDRM C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000262933903 1433968203 /nfs/dbraw/zinc/96/82/03/1433968203.db2.gz KFOXBRQOJZIRFC-RHSMWYFYSA-N -1 0 397.431 3.390 20 5 GGBDRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000262947853 1433969399 /nfs/dbraw/zinc/96/93/99/1433969399.db2.gz LBVDVYLMFGBYNM-HSZRJFAPSA-N -1 0 392.455 3.114 20 5 GGBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263067684 1433981937 /nfs/dbraw/zinc/98/19/37/1433981937.db2.gz TXHKKWMWWFFXDY-QGZVFWFLSA-N -1 0 377.422 3.338 20 5 GGBDRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000263071026 1433982827 /nfs/dbraw/zinc/98/28/27/1433982827.db2.gz UFDNERNAYWZEHP-GOSISDBHSA-N -1 0 389.433 3.291 20 5 GGBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000263136424 1433989001 /nfs/dbraw/zinc/98/90/01/1433989001.db2.gz GIIGBKNWCGXRCB-VHSXEESVSA-N -1 0 394.225 3.453 20 5 GGBDRM CCC[C@@H](CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263171525 1433991986 /nfs/dbraw/zinc/99/19/86/1433991986.db2.gz KQLLIACXQWUSKE-INIZCTEOSA-N -1 0 385.420 3.438 20 5 GGBDRM CCOc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000263191786 1433993420 /nfs/dbraw/zinc/99/34/20/1433993420.db2.gz IPZLKYULKJNTQP-LLVKDONJSA-N -1 0 388.376 3.443 20 5 GGBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000263238240 1433997774 /nfs/dbraw/zinc/99/77/74/1433997774.db2.gz SWVOVWCDZACQRZ-FQLMCAECSA-N -1 0 389.452 3.012 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000263265212 1433999642 /nfs/dbraw/zinc/99/96/42/1433999642.db2.gz VITCPDXFHSNCDN-UHFFFAOYSA-N -1 0 386.404 3.385 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263454581 1434007347 /nfs/dbraw/zinc/00/73/47/1434007347.db2.gz OUIJOTQEXRMFSX-CXAGYDPISA-N -1 0 388.445 3.230 20 5 GGBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000263480645 1434008193 /nfs/dbraw/zinc/00/81/93/1434008193.db2.gz UNVUXILTULLICM-NWDGAFQWSA-N -1 0 388.376 3.235 20 5 GGBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC000263480646 1434008232 /nfs/dbraw/zinc/00/82/32/1434008232.db2.gz UNVUXILTULLICM-RYUDHWBXSA-N -1 0 388.376 3.235 20 5 GGBDRM COc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000263553463 1434012883 /nfs/dbraw/zinc/01/28/83/1434012883.db2.gz XQZNYQHQLGYHHH-INIZCTEOSA-N -1 0 386.404 3.118 20 5 GGBDRM CCC[C@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C(=O)[O-] ZINC000263561467 1434013333 /nfs/dbraw/zinc/01/33/33/1434013333.db2.gz CBKYZRLGVCRDNV-FUHWJXTLSA-N -1 0 385.420 3.426 20 5 GGBDRM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000266771266 1434373611 /nfs/dbraw/zinc/37/36/11/1434373611.db2.gz YESYCFMEUOEXAJ-UHFFFAOYSA-N -1 0 394.449 3.257 20 5 GGBDRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000269089630 1434590442 /nfs/dbraw/zinc/59/04/42/1434590442.db2.gz GOFZNHFNZLJVQF-CHWSQXEVSA-N -1 0 393.440 3.066 20 5 GGBDRM Cc1ccc(Cc2nnc([N-]C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])s2)cc1 ZINC000269496456 1434653817 /nfs/dbraw/zinc/65/38/17/1434653817.db2.gz YNWYXILFSXQPMA-UHFFFAOYSA-N -1 0 386.437 3.444 20 5 GGBDRM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000270243561 1434715954 /nfs/dbraw/zinc/71/59/54/1434715954.db2.gz ONNWYFMIQBODQR-AWEZNQCLSA-N -1 0 380.404 3.263 20 5 GGBDRM 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GGBDRM COc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1[N+](=O)[O-] ZINC001594122267 958606220 /nfs/dbraw/zinc/60/62/20/958606220.db2.gz YESVHPDWXRSXLN-UHFFFAOYSA-N -1 0 376.390 3.494 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c1C ZINC001594378340 958610098 /nfs/dbraw/zinc/61/00/98/958610098.db2.gz WJRMNBDHSNQAHF-UHFFFAOYSA-N -1 0 376.390 3.296 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001594381104 958621307 /nfs/dbraw/zinc/62/13/07/958621307.db2.gz HQLWUDLBCRDRDU-UHFFFAOYSA-N -1 0 386.389 3.316 20 5 GGBDRM O=C([O-])C1(NC(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CCCC1 ZINC001605734825 972370635 /nfs/dbraw/zinc/37/06/35/972370635.db2.gz CHCYDYVMXZIJFL-LLVKDONJSA-N -1 0 393.293 3.034 20 5 GGBDRM Cc1cccc([C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594394129 958756089 /nfs/dbraw/zinc/75/60/89/958756089.db2.gz RDWHPJFFQBMMLP-AWEZNQCLSA-N -1 0 382.294 3.478 20 5 GGBDRM 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C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001573736747 960445704 /nfs/dbraw/zinc/44/57/04/960445704.db2.gz YNTMTEOBGPZSIA-KSSFIOAISA-N -1 0 397.431 3.390 20 5 GGBDRM CN(CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001604102117 972505079 /nfs/dbraw/zinc/50/50/79/972505079.db2.gz KWXQGMMQEKWKDL-HNNXBMFYSA-N -1 0 397.431 3.101 20 5 GGBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2[C@@H](C)O1 ZINC001573745406 960489473 /nfs/dbraw/zinc/48/94/73/960489473.db2.gz CZWAZXZEJQSGRJ-HTQZYQBOSA-N -1 0 377.378 3.024 20 5 GGBDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2[C@H](C)O1 ZINC001573745408 960489700 /nfs/dbraw/zinc/48/97/00/960489700.db2.gz CZWAZXZEJQSGRJ-SFYZADRCSA-N -1 0 377.378 3.024 20 5 GGBDRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000236656982 960726265 /nfs/dbraw/zinc/72/62/65/960726265.db2.gz CSOIFYNOWNWQSQ-MRXNPFEDSA-N -1 0 382.376 3.296 20 5 GGBDRM 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Cc1ccc2c(c1)S[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C2 ZINC001331897903 961409483 /nfs/dbraw/zinc/40/94/83/961409483.db2.gz ZRHCCTBEQLVUSW-VQIMIIECSA-N -1 0 386.429 3.036 20 5 GGBDRM O=C([O-])c1cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc([N+](=O)[O-])c1 ZINC000262112379 961469123 /nfs/dbraw/zinc/46/91/23/961469123.db2.gz AZBGHRHQNMWNKA-QGZVFWFLSA-N -1 0 386.360 3.103 20 5 GGBDRM CC(C)CCSc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000262153128 961504223 /nfs/dbraw/zinc/50/42/23/961504223.db2.gz ADNPLZWTIAFTJR-CQSZACIVSA-N -1 0 396.465 3.049 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262171782 961520723 /nfs/dbraw/zinc/52/07/23/961520723.db2.gz LLOPOBSAQVYHJT-PXAZEXFGSA-N -1 0 386.429 3.286 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000262197679 961544366 /nfs/dbraw/zinc/54/43/66/961544366.db2.gz UFOMHKNNMDDUJM-SJORKVTESA-N -1 0 388.351 3.082 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N3CCC(CC(=O)[O-])CC3)cc2[N+](=O)[O-])CC1 ZINC000262199301 961545601 /nfs/dbraw/zinc/54/56/01/961545601.db2.gz UJEVCEIMROSELL-UHFFFAOYSA-N -1 0 389.452 3.158 20 5 GGBDRM CCc1cc(NC(=O)Cc2ccccc2C(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC001573953612 961655758 /nfs/dbraw/zinc/65/57/58/961655758.db2.gz UGCQDOKYUHZZPM-UHFFFAOYSA-N -1 0 379.372 3.007 20 5 GGBDRM CC(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001588829798 961692110 /nfs/dbraw/zinc/69/21/10/961692110.db2.gz VNIVXSTZEJTOBA-SECBINFHSA-N -1 0 393.621 3.097 20 5 GGBDRM CC(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001588829799 961692227 /nfs/dbraw/zinc/69/22/27/961692227.db2.gz VNIVXSTZEJTOBA-VIFPVBQESA-N -1 0 393.621 3.097 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000262455727 961731857 /nfs/dbraw/zinc/73/18/57/961731857.db2.gz XBSYQZHSZAHXAH-SJCJKPOMSA-N -1 0 386.429 3.114 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000262455735 961732163 /nfs/dbraw/zinc/73/21/63/961732163.db2.gz XBSYQZHSZAHXAH-YVEFUNNKSA-N -1 0 386.429 3.114 20 5 GGBDRM CC(C)C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262487854 961747366 /nfs/dbraw/zinc/74/73/66/961747366.db2.gz LOENSZJFELYXAA-JTQLQIEISA-N -1 0 392.330 3.013 20 5 GGBDRM Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000262649814 961794357 /nfs/dbraw/zinc/79/43/57/961794357.db2.gz RQBPMYSSAFCKEC-AWEZNQCLSA-N -1 0 375.406 3.425 20 5 GGBDRM Nc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc2ccccc2c1[N+](=O)[O-] ZINC001574508379 961797302 /nfs/dbraw/zinc/79/73/02/961797302.db2.gz VRULAXMWAJBVBR-WBVHZDCISA-N -1 0 391.383 3.373 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc2[N+](=O)[O-])C1 ZINC000262693381 961811021 /nfs/dbraw/zinc/81/10/21/961811021.db2.gz FNQFLXQFVZLKPE-UGQVUOCMSA-N -1 0 389.452 3.060 20 5 GGBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262849760 961915934 /nfs/dbraw/zinc/91/59/34/961915934.db2.gz DNJNTYQQZGOXHF-ZLDLUXBVSA-N -1 0 387.417 3.044 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262866596 961936646 /nfs/dbraw/zinc/93/66/46/961936646.db2.gz ATDRAWVXUHWSJS-CQSZACIVSA-N -1 0 386.404 3.474 20 5 GGBDRM COc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000262899311 961976478 /nfs/dbraw/zinc/97/64/78/961976478.db2.gz DOUPYBNKBGGWOI-UHFFFAOYSA-N -1 0 398.415 3.397 20 5 GGBDRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]2C ZINC000262920935 962002493 /nfs/dbraw/zinc/00/24/93/962002493.db2.gz ZJFVQTGMALGILX-NEPJUHHUSA-N -1 0 384.388 3.450 20 5 GGBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c2ccccc21 ZINC001574558434 962004229 /nfs/dbraw/zinc/00/42/29/962004229.db2.gz SDUGFMWRSCVQMF-GXTWGEPZSA-N -1 0 392.314 3.239 20 5 GGBDRM CCOc1ccc(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000262937001 962021729 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HMXFPXLXAFVFOO-VQIMIIECSA-N -1 0 382.416 3.217 20 5 GGBDRM C[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H]1C(=O)[O-] ZINC000262955956 962042038 /nfs/dbraw/zinc/04/20/38/962042038.db2.gz REHSKAGDLJKARC-RFAUZJTJSA-N -1 0 386.354 3.165 20 5 GGBDRM O=C([O-])c1ccccc1CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000263012457 962113920 /nfs/dbraw/zinc/11/39/20/962113920.db2.gz NERPPDKFWMRJQA-UHFFFAOYSA-N -1 0 398.415 3.153 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)cc2[N+](=O)[O-])CC1 ZINC000263016059 962121227 /nfs/dbraw/zinc/12/12/27/962121227.db2.gz OCQUHERYEVJVNG-FQEVSTJZSA-N -1 0 389.452 3.158 20 5 GGBDRM COCc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000263025998 962137108 /nfs/dbraw/zinc/13/71/08/962137108.db2.gz BILQDAXGYMHWBR-UHFFFAOYSA-N -1 0 399.403 3.292 20 5 GGBDRM COc1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263039767 962162058 /nfs/dbraw/zinc/16/20/58/962162058.db2.gz NGEGEJBUQNELDC-YOEHRIQHSA-N -1 0 398.415 3.297 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000263052132 962184278 /nfs/dbraw/zinc/18/42/78/962184278.db2.gz PZVHOLOSNUDPLI-CQSZACIVSA-N -1 0 392.355 3.186 20 5 GGBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263056330 962193699 /nfs/dbraw/zinc/19/36/99/962193699.db2.gz SJBNUGYZHWNSNT-ZSGNIPIJSA-N -1 0 384.841 3.052 20 5 GGBDRM CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(=O)[O-] ZINC001588894280 962222469 /nfs/dbraw/zinc/22/24/69/962222469.db2.gz JNXBVHZBAHTMQZ-JTQLQIEISA-N -1 0 376.331 3.480 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263081482 962225367 /nfs/dbraw/zinc/22/53/67/962225367.db2.gz GYXCYNICKVOFNS-RYUDHWBXSA-N -1 0 384.816 3.119 20 5 GGBDRM O=C([O-])CC[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000263088205 962236893 /nfs/dbraw/zinc/23/68/93/962236893.db2.gz HQKBOYFFPIONPI-GFCCVEGCSA-N -1 0 384.816 3.121 20 5 GGBDRM CC(C)C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588899282 962243143 /nfs/dbraw/zinc/24/31/43/962243143.db2.gz BNMHFDXNICEEKO-JTQLQIEISA-N -1 0 394.371 3.321 20 5 GGBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263102846 962253971 /nfs/dbraw/zinc/25/39/71/962253971.db2.gz WADOWOLJJOOJFQ-KYOSRNDESA-N -1 0 387.417 3.044 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000263149693 962303265 /nfs/dbraw/zinc/30/32/65/962303265.db2.gz IWYKHSYCDAEBDR-FQEVSTJZSA-N -1 0 386.404 3.042 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001574092422 962353193 /nfs/dbraw/zinc/35/31/93/962353193.db2.gz WRBGUWNUGIFZCR-AWEZNQCLSA-N -1 0 398.415 3.425 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000263293527 962435197 /nfs/dbraw/zinc/43/51/97/962435197.db2.gz MOEJEBKFKQSKBQ-LLVKDONJSA-N -1 0 388.376 3.443 20 5 GGBDRM 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377.422 3.170 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595364686 980796746 /nfs/dbraw/zinc/79/67/46/980796746.db2.gz VWGHNSXWCVQWNJ-INIZCTEOSA-N -1 0 392.433 3.455 20 5 GGBDRM CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001595384074 980930184 /nfs/dbraw/zinc/93/01/84/980930184.db2.gz LQQWMZSPEBEXCX-OAHLLOKOSA-N -1 0 399.451 3.345 20 5 GGBDRM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2C1 ZINC001595468298 981161077 /nfs/dbraw/zinc/16/10/77/981161077.db2.gz SARKUNJPSSYURK-SNVBAGLBSA-N -1 0 385.376 3.161 20 5 GGBDRM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C[C@H](CC)O1 ZINC001595481096 981200538 /nfs/dbraw/zinc/20/05/38/981200538.db2.gz RVLOPGRSSIAVNG-KBPBESRZSA-N -1 0 396.465 3.191 20 5 GGBDRM CC[C@H]1CN(c2ccccc2)CCN1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595492309 981253191 /nfs/dbraw/zinc/25/31/91/981253191.db2.gz LCVBQJQDWBFUGY-KRWDZBQOSA-N -1 0 399.447 3.159 20 5 GGBDRM 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CC[C@H](C)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC001594951742 982661720 /nfs/dbraw/zinc/66/17/20/982661720.db2.gz BCYPTBYNZLOQKU-OIBJUYFYSA-N -1 0 399.252 3.069 20 5 GGBDRM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3csc([N+](=O)[O-])c3)nc2c1 ZINC000917142760 982679493 /nfs/dbraw/zinc/67/94/93/982679493.db2.gz OVXRIUVZRHTUCX-XCVCLJGOSA-N -1 0 377.765 3.328 20 5 GGBDRM CCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001595824650 982705882 /nfs/dbraw/zinc/70/58/82/982705882.db2.gz PUXMDLCTQJYYLJ-ZDUSSCGKSA-N -1 0 399.403 3.172 20 5 GGBDRM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](F)(C(=O)[O-])C2)cc1OC ZINC001594964033 982716632 /nfs/dbraw/zinc/71/66/32/982716632.db2.gz BLIYAYREEHNTDB-XIKOKIGWSA-N -1 0 384.404 3.027 20 5 GGBDRM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](F)(C(=O)[O-])C2)cc1OC ZINC001594964029 982716794 /nfs/dbraw/zinc/71/67/94/982716794.db2.gz BLIYAYREEHNTDB-KZULUSFZSA-N -1 0 384.404 3.027 20 5 GGBDRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001594991104 982852174 /nfs/dbraw/zinc/85/21/74/982852174.db2.gz ATOFFSJZLZNDIJ-NSHDSACASA-N -1 0 385.376 3.074 20 5 GGBDRM CC[C@@H](C)NC(=O)c1cccc(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001594994091 982868940 /nfs/dbraw/zinc/86/89/40/982868940.db2.gz GGUJWUKGOKMDTG-LLVKDONJSA-N -1 0 386.408 3.137 20 5 GGBDRM CC[C@H](C)Oc1cccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001595004636 982917487 /nfs/dbraw/zinc/91/74/87/982917487.db2.gz JBKLSGYSROXURR-NSHDSACASA-N -1 0 395.389 3.238 20 5 GGBDRM CC[C@H](C)Oc1cccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001595005203 982919861 /nfs/dbraw/zinc/91/98/61/982919861.db2.gz OBBXTRKADMMUTP-NSHDSACASA-N -1 0 395.389 3.238 20 5 GGBDRM CCCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595894536 982930212 /nfs/dbraw/zinc/93/02/12/982930212.db2.gz JOMXTBLTVIGMGB-UHFFFAOYSA-N -1 0 392.433 3.461 20 5 GGBDRM 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Cc1[nH]c(C(=O)CSCCOc2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC001599949729 985587416 /nfs/dbraw/zinc/58/74/16/985587416.db2.gz RAKUOEOWTPBZAS-UHFFFAOYSA-N -1 0 378.406 3.233 20 5 GGBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001599957175 985708799 /nfs/dbraw/zinc/70/87/99/985708799.db2.gz HUTYLLCWVXPZPL-UHFFFAOYSA-N -1 0 385.298 3.187 20 5 GGBDRM Cc1c(Br)cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC001599970195 985993198 /nfs/dbraw/zinc/99/31/98/985993198.db2.gz CIRQGJGDYNQJJT-ZDUSSCGKSA-N -1 0 387.230 3.237 20 5 GGBDRM Cc1c(Br)cc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC001599970219 985993303 /nfs/dbraw/zinc/99/33/03/985993303.db2.gz DQVWNMSFBHYBAR-VIFPVBQESA-N -1 0 385.214 3.134 20 5 GGBDRM Cc1c(Br)cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1[N+](=O)[O-] ZINC001599970240 985994140 /nfs/dbraw/zinc/99/41/40/985994140.db2.gz FMFCLEYEZZJRSD-AWEZNQCLSA-N -1 0 399.241 3.429 20 5 GGBDRM Cc1c(Br)cc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1[N+](=O)[O-] ZINC001599970335 985995960 /nfs/dbraw/zinc/99/59/60/985995960.db2.gz GEGWJCPODYHMOK-GFCCVEGCSA-N -1 0 399.222 3.283 20 5 GGBDRM Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-] ZINC001599970523 985998939 /nfs/dbraw/zinc/99/89/39/985998939.db2.gz LAIQZFZMJRSXSQ-UHFFFAOYSA-N -1 0 395.165 3.322 20 5 GGBDRM Cc1c(Br)cc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599971127 986007494 /nfs/dbraw/zinc/00/74/94/986007494.db2.gz VAAYFBVXDMRJIG-JOYOIKCWSA-N -1 0 385.214 3.039 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001599971230 986009852 /nfs/dbraw/zinc/00/98/52/986009852.db2.gz ANXXOARAHZWYPF-UHFFFAOYSA-N -1 0 386.198 3.466 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001599971258 986010333 /nfs/dbraw/zinc/01/03/33/986010333.db2.gz AWEJHZUSCSIISS-HNNXBMFYSA-N -1 0 385.214 3.039 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001599971748 986018624 /nfs/dbraw/zinc/01/86/24/986018624.db2.gz LMMTVENUCAPCDQ-UHFFFAOYSA-N -1 0 397.225 3.278 20 5 GGBDRM Cc1c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cnc2ccccc12 ZINC001599978099 986123336 /nfs/dbraw/zinc/12/33/36/986123336.db2.gz TZVWBOGLWFLZOL-FQEVSTJZSA-N -1 0 379.372 3.181 20 5 GGBDRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2Br)cccc1[N+](=O)[O-] ZINC001599981773 986172758 /nfs/dbraw/zinc/17/27/58/986172758.db2.gz SDXANRDTLNUXQT-UHFFFAOYSA-N -1 0 393.193 3.294 20 5 GGBDRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589341524 986251351 /nfs/dbraw/zinc/25/13/51/986251351.db2.gz FHHFPRKGDVYHHF-SNVBAGLBSA-N -1 0 396.321 3.229 20 5 GGBDRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589341523 986251401 /nfs/dbraw/zinc/25/14/01/986251401.db2.gz FHHFPRKGDVYHHF-JTQLQIEISA-N -1 0 396.321 3.229 20 5 GGBDRM CCOc1c(Cl)cccc1CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001596993194 986281952 /nfs/dbraw/zinc/28/19/52/986281952.db2.gz YQVQJMRFCDFIRO-UHFFFAOYSA-N -1 0 379.752 3.493 20 5 GGBDRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC001589346919 986292606 /nfs/dbraw/zinc/29/26/06/986292606.db2.gz YFXQHQUWYIZIGH-SIUGBPQLSA-N -1 0 378.400 3.329 20 5 GGBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001594561234 986314545 /nfs/dbraw/zinc/31/45/45/986314545.db2.gz HYZROPGIKMWZSX-TXEJJXNPSA-N -1 0 379.413 3.127 20 5 GGBDRM C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCN1CC(F)(F)F ZINC001594561594 986321124 /nfs/dbraw/zinc/32/11/24/986321124.db2.gz KTIPLMBCGXQWRT-MRVPVSSYSA-N -1 0 381.738 3.019 20 5 GGBDRM C[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC001594562402 986332895 /nfs/dbraw/zinc/33/28/95/986332895.db2.gz QTNGBUZUNLBMEL-JGVFFNPUSA-N -1 0 382.722 3.493 20 5 GGBDRM CCOc1cc(C(=O)Nc2ccc(F)cc2C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001597009136 986341305 /nfs/dbraw/zinc/34/13/05/986341305.db2.gz GFJNEFXPLLRIFG-UHFFFAOYSA-N -1 0 378.312 3.092 20 5 GGBDRM CCOc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c([N+](=O)[O-])cc1OC ZINC001597010062 986348754 /nfs/dbraw/zinc/34/87/54/986348754.db2.gz XHIGWQNIJPZICB-UHFFFAOYSA-N -1 0 396.302 3.231 20 5 GGBDRM C[C@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1cccc([N+](=O)[O-])c1 ZINC001589364337 986384150 /nfs/dbraw/zinc/38/41/50/986384150.db2.gz FZHMOOLXBBJOMB-LBPRGKRZSA-N -1 0 393.399 3.463 20 5 GGBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001594576909 986424361 /nfs/dbraw/zinc/42/43/61/986424361.db2.gz IJYNKGRNBXOYRT-BETUJISGSA-N -1 0 393.440 3.056 20 5 GGBDRM CCOc1cc(C(=O)OCc2csc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC001597028173 986438010 /nfs/dbraw/zinc/43/80/10/986438010.db2.gz JKZWLUMYJCXVED-UHFFFAOYSA-N -1 0 381.362 3.119 20 5 GGBDRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589378956 986451500 /nfs/dbraw/zinc/45/15/00/986451500.db2.gz WTKUVYLRHBERMQ-LRTDBIEQSA-N -1 0 395.415 3.306 20 5 GGBDRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1cn(C)c2ccccc12 ZINC001589378955 986451630 /nfs/dbraw/zinc/45/16/30/986451630.db2.gz WTKUVYLRHBERMQ-ASSNKEHSSA-N -1 0 395.415 3.306 20 5 GGBDRM C[C@H](C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589380863 986460099 /nfs/dbraw/zinc/46/00/99/986460099.db2.gz HUUCKZITIYXPRL-DCGLDWPTSA-N -1 0 388.395 3.286 20 5 GGBDRM CCOc1cc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001597042312 986491934 /nfs/dbraw/zinc/49/19/34/986491934.db2.gz MNCOWRFPVXNADG-GFCCVEGCSA-N -1 0 379.413 3.348 20 5 GGBDRM CCOc1cc(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)ccc1[N+](=O)[O-] ZINC001597042856 986496291 /nfs/dbraw/zinc/49/62/91/986496291.db2.gz DXEOJDLVYDJHJM-UHFFFAOYSA-N -1 0 394.771 3.062 20 5 GGBDRM C[C@H](C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589388783 986498699 /nfs/dbraw/zinc/49/86/99/986498699.db2.gz QBQPEELPCYLSRS-YVEFUNNKSA-N -1 0 382.372 3.257 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cccc(C(=O)[O-])c2)cc1OC ZINC001597044121 986502630 /nfs/dbraw/zinc/50/26/30/986502630.db2.gz BXFDRKAJEJUHEK-UHFFFAOYSA-N -1 0 375.333 3.057 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1OC ZINC001597044969 986506497 /nfs/dbraw/zinc/50/64/97/986506497.db2.gz POZDWAKAAMOTID-UHFFFAOYSA-N -1 0 395.755 3.001 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)sc2C(=O)[O-])cc1OC ZINC001597045303 986507468 /nfs/dbraw/zinc/50/74/68/986507468.db2.gz WKNAKJWFQGLVSY-UHFFFAOYSA-N -1 0 380.378 3.323 20 5 GGBDRM CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1[N+](=O)[O-] ZINC001597062067 986551813 /nfs/dbraw/zinc/55/18/13/986551813.db2.gz DQXKZUXKYIDRCB-HNNXBMFYSA-N -1 0 378.425 3.395 20 5 GGBDRM C[C@H]1Cc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001594618928 986644682 /nfs/dbraw/zinc/64/46/82/986644682.db2.gz ODEJHNGQNRWFTO-VIFPVBQESA-N -1 0 396.808 3.086 20 5 GGBDRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001589428731 986703873 /nfs/dbraw/zinc/70/38/73/986703873.db2.gz IDMYROJMADTFAD-SNVBAGLBSA-N -1 0 393.396 3.020 20 5 GGBDRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001589431961 986735842 /nfs/dbraw/zinc/73/58/42/986735842.db2.gz UMEDKPXNLDIMLP-SNVBAGLBSA-N -1 0 375.356 3.240 20 5 GGBDRM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589439020 986769747 /nfs/dbraw/zinc/76/97/47/986769747.db2.gz RQRLAXBCBMYJLN-RYUDHWBXSA-N -1 0 383.832 3.152 20 5 GGBDRM CCOc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1F ZINC001597112760 986781272 /nfs/dbraw/zinc/78/12/72/986781272.db2.gz WSUDBQIMJKMIGW-UHFFFAOYSA-N -1 0 392.339 3.238 20 5 GGBDRM C[C@@H]1OC[C@]2(CC[C@@H](CNc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])O2)[C@H]1C ZINC001594639990 986783030 /nfs/dbraw/zinc/78/30/30/986783030.db2.gz MDHZBNGIJNMATF-WOLPVMLTSA-N -1 0 384.816 3.331 20 5 GGBDRM C[C@@H]1OC[C@]2(CC[C@H](CNc3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])O2)[C@H]1C ZINC001594639985 986783179 /nfs/dbraw/zinc/78/31/79/986783179.db2.gz MDHZBNGIJNMATF-OXKORPGDSA-N -1 0 384.816 3.331 20 5 GGBDRM CCOc1ccc(NC(=O)CNc2c(F)cc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1 ZINC001597117673 986794395 /nfs/dbraw/zinc/79/43/95/986794395.db2.gz MNMACDBEOPFTLC-UHFFFAOYSA-N -1 0 395.318 3.021 20 5 GGBDRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccc([N+](=O)[O-])cc1F ZINC001589448641 986828753 /nfs/dbraw/zinc/82/87/53/986828753.db2.gz QYBZVOSIZCTORA-MRVPVSSYSA-N -1 0 394.380 3.309 20 5 GGBDRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccc([N+](=O)[O-])cc1F ZINC001589448642 986829294 /nfs/dbraw/zinc/82/92/94/986829294.db2.gz QYBZVOSIZCTORA-QMMMGPOBSA-N -1 0 394.380 3.309 20 5 GGBDRM CCOc1ccc(OCCCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001597132612 986857181 /nfs/dbraw/zinc/85/71/81/986857181.db2.gz LLAUJHPRVVLKAL-UHFFFAOYSA-N -1 0 389.360 3.456 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC001589462581 986919351 /nfs/dbraw/zinc/91/93/51/986919351.db2.gz QJVWUDDAQCDKFK-PSLIRLAXSA-N -1 0 377.784 3.022 20 5 GGBDRM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594671767 986987188 /nfs/dbraw/zinc/98/71/88/986987188.db2.gz VYJHIABKPPWSSP-GFCCVEGCSA-N -1 0 385.424 3.119 20 5 GGBDRM CCOc1ccccc1CN(C)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001597172275 987003267 /nfs/dbraw/zinc/00/32/67/987003267.db2.gz HJRPDXREJILNBX-UHFFFAOYSA-N -1 0 375.337 3.236 20 5 GGBDRM C[C@H](C(=O)[O-])N(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC001589479837 987013467 /nfs/dbraw/zinc/01/34/67/987013467.db2.gz YDNWAAXDVYCMHY-SNVBAGLBSA-N -1 0 375.406 3.186 20 5 GGBDRM CCOc1cn(-c2ccccc2)nc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001597186085 987055106 /nfs/dbraw/zinc/05/51/06/987055106.db2.gz MESILKYUCRFKJJ-UHFFFAOYSA-N -1 0 397.343 3.097 20 5 GGBDRM CC(C)(C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589566820 987330647 /nfs/dbraw/zinc/33/06/47/987330647.db2.gz GFLPLHGACWLHNA-CYBMUJFWSA-N -1 0 380.416 3.409 20 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CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001589643963 987576339 /nfs/dbraw/zinc/57/63/39/987576339.db2.gz JQPNELYDFSJTSG-UHFFFAOYSA-N -1 0 399.808 3.378 20 5 GGBDRM CC(C)(C(=O)[O-])c1cccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001589649181 987587102 /nfs/dbraw/zinc/58/71/02/987587102.db2.gz LVALYKOBOMQVDB-UHFFFAOYSA-N -1 0 399.808 3.378 20 5 GGBDRM CCc1[nH]nc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC001597399901 987659651 /nfs/dbraw/zinc/65/96/51/987659651.db2.gz PKPBVKJCKCWUIU-GFCCVEGCSA-N -1 0 388.163 3.170 20 5 GGBDRM CC(C)(C)[C@@H](NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001589718340 987873876 /nfs/dbraw/zinc/87/38/76/987873876.db2.gz AOYZIIJKLTVZQO-KRWDZBQOSA-N -1 0 386.404 3.403 20 5 GGBDRM CC(C)(C)C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001589751934 988058229 /nfs/dbraw/zinc/05/82/29/988058229.db2.gz NHXLALUEVCMGTK-GFCCVEGCSA-N -1 0 377.422 3.338 20 5 GGBDRM CC(C)(C)C[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001589752456 988063053 /nfs/dbraw/zinc/06/30/53/988063053.db2.gz WPGKJESHQULHQS-GFCCVEGCSA-N -1 0 377.422 3.338 20 5 GGBDRM CC(C)(C)C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589756610 988065916 /nfs/dbraw/zinc/06/59/16/988065916.db2.gz BBEBDLOQTWKHKX-JTQLQIEISA-N -1 0 398.359 3.190 20 5 GGBDRM CSCC[C@@H](OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001599798355 988134913 /nfs/dbraw/zinc/13/49/13/988134913.db2.gz NCDWBUPGLIRCDL-BLLLJJGKSA-N -1 0 396.465 3.194 20 5 GGBDRM CCc1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001597531814 988190390 /nfs/dbraw/zinc/19/03/90/988190390.db2.gz AZBVUZZARRBIQW-UHFFFAOYSA-N -1 0 378.406 3.071 20 5 GGBDRM CSCc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1F ZINC001599802067 988193597 /nfs/dbraw/zinc/19/35/97/988193597.db2.gz RTVPDKDBDYINBM-GOSISDBHSA-N -1 0 392.408 3.327 20 5 GGBDRM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001597543091 988237841 /nfs/dbraw/zinc/23/78/41/988237841.db2.gz SEXSMACXBMSZCH-LLVKDONJSA-N -1 0 386.360 3.039 20 5 GGBDRM CSc1c(F)cccc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599806496 988264631 /nfs/dbraw/zinc/26/46/31/988264631.db2.gz XVDZGOYZVXPZQR-QGZVFWFLSA-N -1 0 378.381 3.186 20 5 GGBDRM CCc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c([N+](=O)[O-])c1 ZINC001597557601 988298706 /nfs/dbraw/zinc/29/87/06/988298706.db2.gz NBNKOJANBXGAIF-UHFFFAOYSA-N -1 0 379.390 3.240 20 5 GGBDRM CCc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1CC ZINC001597562855 988311563 /nfs/dbraw/zinc/31/15/63/988311563.db2.gz WLWORACLVOTKQF-UHFFFAOYSA-N -1 0 379.390 3.186 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001597563306 988314334 /nfs/dbraw/zinc/31/43/34/988314334.db2.gz IISYHBDLNPSVQR-UHFFFAOYSA-N -1 0 384.454 3.003 20 5 GGBDRM CSc1ccc(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)cc1[N+](=O)[O-] ZINC001599810105 988318770 /nfs/dbraw/zinc/31/87/70/988318770.db2.gz GGCOXSKMSHLVMU-UHFFFAOYSA-N -1 0 387.373 3.020 20 5 GGBDRM CC(C)(C)OC(=O)[C@@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC001589842959 988335975 /nfs/dbraw/zinc/33/59/75/988335975.db2.gz HFYBZGYIBNLZSG-OAHLLOKOSA-N -1 0 393.392 3.347 20 5 GGBDRM CSc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599815904 988422970 /nfs/dbraw/zinc/42/29/70/988422970.db2.gz ZUFGVRCULOVFGI-UHFFFAOYSA-N -1 0 376.390 3.423 20 5 GGBDRM CCc1cccc(OC[C@H](O)COc2c(C(=O)[O-])cc(Cl)cc2[N+](=O)[O-])c1 ZINC001597598168 988450445 /nfs/dbraw/zinc/45/04/45/988450445.db2.gz RAFTZYZZWBZKBR-ZDUSSCGKSA-N -1 0 395.795 3.328 20 5 GGBDRM CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001597611598 988510639 /nfs/dbraw/zinc/51/06/39/988510639.db2.gz PQVGNGJRPVJZIB-LLVKDONJSA-N -1 0 386.360 3.039 20 5 GGBDRM CC(C)(C)OC(=O)CCC1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001589873439 988518201 /nfs/dbraw/zinc/51/82/01/988518201.db2.gz OVMTYZVLIZHYNE-UHFFFAOYSA-N -1 0 379.413 3.026 20 5 GGBDRM CC(C)(C)OC(=O)CC[C@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001589873455 988518680 /nfs/dbraw/zinc/51/86/80/988518680.db2.gz PJHUDBAXWVZEJZ-GFCCVEGCSA-N -1 0 379.413 3.026 20 5 GGBDRM CSc1cccc(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1[N+](=O)[O-] ZINC001599821415 988520411 /nfs/dbraw/zinc/52/04/11/988520411.db2.gz AFUXXFUUDHZLDU-SECBINFHSA-N -1 0 393.446 3.101 20 5 GGBDRM CSc1cccc(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)c1[N+](=O)[O-] ZINC001599822155 988532252 /nfs/dbraw/zinc/53/22/52/988532252.db2.gz ONZLETFHDDBASI-UHFFFAOYSA-N -1 0 386.389 3.003 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001599822599 988540531 /nfs/dbraw/zinc/54/05/31/988540531.db2.gz MEWHQJLUTZTXOH-UHFFFAOYSA-N -1 0 381.435 3.433 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001599822583 988540763 /nfs/dbraw/zinc/54/07/63/988540763.db2.gz MBSGUGPYNVKPTG-UHFFFAOYSA-N -1 0 376.390 3.423 20 5 GGBDRM CSc1cccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001599822757 988542814 /nfs/dbraw/zinc/54/28/14/988542814.db2.gz VZMXCHKOESMGMF-LLVKDONJSA-N -1 0 390.417 3.271 20 5 GGBDRM CSc1cccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC001599822758 988542974 /nfs/dbraw/zinc/54/29/74/988542974.db2.gz VZMXCHKOESMGMF-NSHDSACASA-N -1 0 390.417 3.271 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001599822984 988546910 /nfs/dbraw/zinc/54/69/10/988546910.db2.gz QMMRKGSVVLSSOG-INIZCTEOSA-N -1 0 399.428 3.224 20 5 GGBDRM CC(C)(C)OC(=O)N(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001589907305 988622731 /nfs/dbraw/zinc/62/27/31/988622731.db2.gz ADONOXYUXSJKJS-UHFFFAOYSA-N -1 0 379.413 3.033 20 5 GGBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001599831592 988683281 /nfs/dbraw/zinc/68/32/81/988683281.db2.gz IARRPBSTISOCRC-LBPRGKRZSA-N -1 0 378.331 3.189 20 5 GGBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001599832436 988693907 /nfs/dbraw/zinc/69/39/07/988693907.db2.gz QALHPTIQFAKLIX-NSHDSACASA-N -1 0 394.330 3.312 20 5 GGBDRM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001599838727 988787470 /nfs/dbraw/zinc/78/74/70/988787470.db2.gz SBSHYRFMGHRJRH-FSPWUOQZSA-N -1 0 383.404 3.166 20 5 GGBDRM CCc1nc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])sc1C(=O)[O-] ZINC001597679796 988803613 /nfs/dbraw/zinc/80/36/13/988803613.db2.gz CNNGUMCJTUMEHB-UHFFFAOYSA-N -1 0 387.776 3.286 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@H](CCOc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001589973808 988819679 /nfs/dbraw/zinc/81/96/79/988819679.db2.gz KMVPWVGHLLMWFT-GFCCVEGCSA-N -1 0 380.397 3.319 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@@H](CCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001589975261 988829476 /nfs/dbraw/zinc/82/94/76/988829476.db2.gz XSBQKMWHAMYMHL-LBPRGKRZSA-N -1 0 380.397 3.319 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@H](CCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001589975256 988830637 /nfs/dbraw/zinc/83/06/37/988830637.db2.gz XSBQKMWHAMYMHL-GFCCVEGCSA-N -1 0 380.397 3.319 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001599842098 988858336 /nfs/dbraw/zinc/85/83/36/988858336.db2.gz FIVWFEGFEJIEJM-SNVBAGLBSA-N -1 0 377.784 3.236 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC001589985097 988879017 /nfs/dbraw/zinc/87/90/17/988879017.db2.gz LCBYEGXBCKJHNW-HNNXBMFYSA-N -1 0 393.440 3.422 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001590005257 988949743 /nfs/dbraw/zinc/94/97/43/988949743.db2.gz PDCLXMRUJIVYBR-KGLIPLIRSA-N -1 0 391.424 3.129 20 5 GGBDRM C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001599846986 988949841 /nfs/dbraw/zinc/94/98/41/988949841.db2.gz DNWISODXXSYZSV-JTQLQIEISA-N -1 0 398.824 3.328 20 5 GGBDRM C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001599847067 988950799 /nfs/dbraw/zinc/95/07/99/988950799.db2.gz FXPVWZYOENCOQN-PIGZYNQJSA-N -1 0 384.454 3.176 20 5 GGBDRM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590016446 988995121 /nfs/dbraw/zinc/99/51/21/988995121.db2.gz ZLFNGXACJORSFT-LBPRGKRZSA-N -1 0 379.413 3.352 20 5 GGBDRM CCc1nnc(-c2cccc(NCc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)c2)o1 ZINC001597724785 989024510 /nfs/dbraw/zinc/02/45/10/989024510.db2.gz XZELWLWGMKGOEK-UHFFFAOYSA-N -1 0 398.375 3.283 20 5 GGBDRM C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H](C(=O)[O-])O1 ZINC001599866792 989279693 /nfs/dbraw/zinc/27/96/93/989279693.db2.gz VFOFSKCQEDGJJD-HWPZZCPQSA-N -1 0 380.784 3.182 20 5 GGBDRM CCc1oc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1C(=O)[O-] ZINC001597791819 989326530 /nfs/dbraw/zinc/32/65/30/989326530.db2.gz SPDOQFSDJJELDU-KPKJPENVSA-N -1 0 390.735 3.446 20 5 GGBDRM CC(C)(C)OC(=O)N[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001590124871 989355231 /nfs/dbraw/zinc/35/52/31/989355231.db2.gz BTIKATIQYVQBHI-ZHMISCPASA-N -1 0 391.424 3.408 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590171822 989500322 /nfs/dbraw/zinc/50/03/22/989500322.db2.gz YSUVNBIIIRVGBZ-WCQYABFASA-N -1 0 379.413 3.398 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590171823 989500808 /nfs/dbraw/zinc/50/08/08/989500808.db2.gz YSUVNBIIIRVGBZ-YPMHNXCESA-N -1 0 379.413 3.398 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590176493 989507030 /nfs/dbraw/zinc/50/70/30/989507030.db2.gz JOMNAZRRPDLTKG-JTQLQIEISA-N -1 0 399.831 3.297 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590176494 989507242 /nfs/dbraw/zinc/50/72/42/989507242.db2.gz JOMNAZRRPDLTKG-SNVBAGLBSA-N -1 0 399.831 3.297 20 5 GGBDRM CC(C)(C)OC(=O)NCCCCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001590184755 989534162 /nfs/dbraw/zinc/53/41/62/989534162.db2.gz GQLYMZLBXQKMSB-UHFFFAOYSA-N -1 0 382.417 3.185 20 5 GGBDRM CC(C)(C)OC(=O)NCCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001590185327 989540951 /nfs/dbraw/zinc/54/09/51/989540951.db2.gz OSXHWWZXZKJBMG-CLFYSBASSA-N -1 0 379.413 3.409 20 5 GGBDRM CCn1c(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC001597860573 989636370 /nfs/dbraw/zinc/63/63/70/989636370.db2.gz WASCJELDZFINST-UHFFFAOYSA-N -1 0 388.355 3.179 20 5 GGBDRM CCn1c(=O)c2cc3ccccc3cc2nc1SCC(=O)C(C)(C)C(=O)[O-] ZINC001597864342 989646934 /nfs/dbraw/zinc/64/69/34/989646934.db2.gz FGCLKWZTPRTMPD-UHFFFAOYSA-N -1 0 384.457 3.342 20 5 GGBDRM CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001590282556 989690222 /nfs/dbraw/zinc/69/02/22/989690222.db2.gz AHAGCUYYWZXVTM-VIFPVBQESA-N -1 0 385.804 3.050 20 5 GGBDRM CC(C)(C)OC(=O)N[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001590284057 989695148 /nfs/dbraw/zinc/69/51/48/989695148.db2.gz VNXCAOUHPHEXLC-VIFPVBQESA-N -1 0 385.804 3.050 20 5 GGBDRM CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC001597899775 989771913 /nfs/dbraw/zinc/77/19/13/989771913.db2.gz RONGJDWTWDDESO-LBPRGKRZSA-N -1 0 388.163 3.101 20 5 GGBDRM CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)n1 ZINC001597900314 989773904 /nfs/dbraw/zinc/77/39/04/989773904.db2.gz YWAAKHKUGWPKDR-CQSZACIVSA-N -1 0 388.424 3.055 20 5 GGBDRM CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC001597943255 989921803 /nfs/dbraw/zinc/92/18/03/989921803.db2.gz PMLHEDPXGLYSFW-KGLIPLIRSA-N -1 0 378.816 3.078 20 5 GGBDRM CC(C)(C)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])s1 ZINC001590487865 990089998 /nfs/dbraw/zinc/08/99/98/990089998.db2.gz VACZRKOMTBGTJU-UHFFFAOYSA-N -1 0 398.462 3.131 20 5 GGBDRM CC(C)(C)c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC001590501109 990117517 /nfs/dbraw/zinc/11/75/17/990117517.db2.gz UIRJHLYDFWWUHJ-UHFFFAOYSA-N -1 0 385.419 3.420 20 5 GGBDRM CC(C)(C)c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001590501355 990118286 /nfs/dbraw/zinc/11/82/86/990118286.db2.gz XGVQDCVTWHZTHJ-UHFFFAOYSA-N -1 0 379.390 3.358 20 5 GGBDRM CC(C)(C)c1csc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001590533228 990146488 /nfs/dbraw/zinc/14/64/88/990146488.db2.gz SPBNODPQVWSVRG-UHFFFAOYSA-N -1 0 379.438 3.102 20 5 GGBDRM CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598010568 990176946 /nfs/dbraw/zinc/17/69/46/990176946.db2.gz KDCUNVMWGZWLRT-CYBMUJFWSA-N -1 0 377.224 3.413 20 5 GGBDRM CC(C)(C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1)C(N)=O ZINC001590653643 990343173 /nfs/dbraw/zinc/34/31/73/990343173.db2.gz BEVGKXAFYILLAY-SNVBAGLBSA-N -1 0 383.832 3.064 20 5 GGBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001598079172 990392132 /nfs/dbraw/zinc/39/21/32/990392132.db2.gz 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C[C@@](NC(=O)c1[nH]c2ccccc2c1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593139914 993918410 /nfs/dbraw/zinc/91/84/10/993918410.db2.gz CKURKBOATAITQJ-SFHVURJKSA-N -1 0 387.779 3.459 20 5 GGBDRM C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593149248 993952783 /nfs/dbraw/zinc/95/27/83/993952783.db2.gz HFYZKMUYNDZSAZ-SECBINFHSA-N -1 0 396.758 3.342 20 5 GGBDRM C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(OCC(=O)[O-])cc1 ZINC001593155764 993970350 /nfs/dbraw/zinc/97/03/50/993970350.db2.gz OBJBNCDDDJWVLK-NSHDSACASA-N -1 0 383.360 3.031 20 5 GGBDRM C[C@](NC(=O)c1cc(F)c2ncccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593156585 993975490 /nfs/dbraw/zinc/97/54/90/993975490.db2.gz UGCAHWCUNNBIFR-LJQANCHMSA-N -1 0 383.335 3.012 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593163757 994003432 /nfs/dbraw/zinc/00/34/32/994003432.db2.gz UCWNXHGOGDNTIS-BXUZGUMPSA-N -1 0 376.796 3.310 20 5 GGBDRM C[C@H](NC(=O)c1ccc(NCCC2Cc3ccccc3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593169780 994022836 /nfs/dbraw/zinc/02/28/36/994022836.db2.gz FFVHFDPFESGTHW-ZDUSSCGKSA-N -1 0 397.431 3.015 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170540 994026893 /nfs/dbraw/zinc/02/68/93/994026893.db2.gz NNAJYDMCDBZYAE-OCCSQVGLSA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NC2CCC(C(F)F)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170888 994029099 /nfs/dbraw/zinc/02/90/99/994029099.db2.gz QGXZZPIGLXWSGA-GRZMOONWSA-N -1 0 385.367 3.034 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N[C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171178 994029587 /nfs/dbraw/zinc/02/95/87/994029587.db2.gz SJWWIUFHCDNHOK-NXEZZACHSA-N -1 0 393.346 3.249 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NC[C@H]2CCCCC(F)(F)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171398 994030315 /nfs/dbraw/zinc/03/03/15/994030315.db2.gz UYQYUGSFFVBIKR-NEPJUHHUSA-N -1 0 399.394 3.425 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1F ZINC001593171183 994030686 /nfs/dbraw/zinc/03/06/86/994030686.db2.gz SJWWIUFHCDNHOK-ZJUUUORDSA-N -1 0 393.346 3.249 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NCCc2ccc(Cl)s2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171427 994030849 /nfs/dbraw/zinc/03/08/49/994030849.db2.gz VMJRGFUZUBXIRB-SECBINFHSA-N -1 0 397.840 3.167 20 5 GGBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593171559 994031696 /nfs/dbraw/zinc/03/16/96/994031696.db2.gz AOXSJLZUNPZSDS-DYVFJYSZSA-N -1 0 393.399 3.205 20 5 GGBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593172503 994037861 /nfs/dbraw/zinc/03/78/61/994037861.db2.gz NXVGXMUIAUAHQZ-FZMZJTMJSA-N -1 0 376.796 3.310 20 5 GGBDRM C[C@](NC(=O)c1cccc([N+](=O)[O-])c1N)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593175800 994049442 /nfs/dbraw/zinc/04/94/42/994049442.db2.gz COIGFJSRHGVGHD-MRXNPFEDSA-N -1 0 398.202 3.214 20 5 GGBDRM C[C@@](NC(=O)c1ccccc1OCC1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593179845 994066043 /nfs/dbraw/zinc/06/60/43/994066043.db2.gz ZBFKTRHOZUOUOZ-FQEVSTJZSA-N -1 0 384.388 3.113 20 5 GGBDRM C[C@](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001593181320 994070366 /nfs/dbraw/zinc/07/03/66/994070366.db2.gz NLGRBYSMVRJDRA-OAQYLSRUSA-N -1 0 391.383 3.387 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC001599621241 994086258 /nfs/dbraw/zinc/08/62/58/994086258.db2.gz DUTKLWIBORQZMH-AWEZNQCLSA-N -1 0 398.293 3.178 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC001599621242 994086609 /nfs/dbraw/zinc/08/66/09/994086609.db2.gz DUTKLWIBORQZMH-CQSZACIVSA-N -1 0 398.293 3.178 20 5 GGBDRM C[C@](NC(=O)c1csc(-c2ccco2)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593184745 994092267 /nfs/dbraw/zinc/09/22/67/994092267.db2.gz MBUCCMSLZONEEW-QGZVFWFLSA-N -1 0 387.373 3.041 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001599621907 994095157 /nfs/dbraw/zinc/09/51/57/994095157.db2.gz HDSAXKYRKJWIPD-UHFFFAOYSA-N -1 0 396.149 3.283 20 5 GGBDRM C[C@@](NC(=O)c1snc(Cl)c1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593188283 994099169 /nfs/dbraw/zinc/09/91/69/994099169.db2.gz AGEGRSYIIZJSJC-ZDUSSCGKSA-N -1 0 390.204 3.088 20 5 GGBDRM CN1CCc2[nH]c3ccc(C(=O)Nc4cc(C(=O)[O-])cc([N+](=O)[O-])c4)cc3c2C1 ZINC001598626823 994110982 /nfs/dbraw/zinc/11/09/82/994110982.db2.gz QGTNOYBMGSHVGB-UHFFFAOYSA-N -1 0 394.387 3.015 20 5 GGBDRM COc1ccc2c(c1)CN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CCO2 ZINC001599630732 994213857 /nfs/dbraw/zinc/21/38/57/994213857.db2.gz ONZXMLLQPUHHDD-UHFFFAOYSA-N -1 0 378.768 3.354 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CCOc4cc(C(=O)[O-])ccc4C3)c2c1 ZINC001599637438 994309399 /nfs/dbraw/zinc/30/93/99/994309399.db2.gz CDFXUVFQUWYDIM-UHFFFAOYSA-N -1 0 395.371 3.249 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(N(C)Cc3ccc(OCC(=O)[O-])cc3)c2c1 ZINC001599637872 994315570 /nfs/dbraw/zinc/31/55/70/994315570.db2.gz LOWZAEDRHQANFC-UHFFFAOYSA-N -1 0 397.387 3.251 20 5 GGBDRM COc1cccc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001599641492 994365518 /nfs/dbraw/zinc/36/55/18/994365518.db2.gz PSPIYCUYXGTRGH-AWEZNQCLSA-N -1 0 398.293 3.335 20 5 GGBDRM COc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2Br)c1[N+](=O)[O-] ZINC001599642347 994377421 /nfs/dbraw/zinc/37/74/21/994377421.db2.gz HEOAIQBCTDVHAC-UHFFFAOYSA-N -1 0 395.165 3.316 20 5 GGBDRM COc1cccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c1[N+](=O)[O-] ZINC001599645809 994423529 /nfs/dbraw/zinc/42/35/29/994423529.db2.gz HAVTVTIGVVDIEY-UHFFFAOYSA-N -1 0 395.751 3.191 20 5 GGBDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001599649587 994475850 /nfs/dbraw/zinc/47/58/50/994475850.db2.gz QYJZIFXPPAUCFO-HNNXBMFYSA-N -1 0 378.768 3.155 20 5 GGBDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC001599650235 994486630 /nfs/dbraw/zinc/48/66/30/994486630.db2.gz VLKLSIDMEKROKA-MRXNPFEDSA-N -1 0 390.417 3.223 20 5 GGBDRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001599651374 994507906 /nfs/dbraw/zinc/50/79/06/994507906.db2.gz XNOCFRVTRRBNIQ-QGZVFWFLSA-N -1 0 378.356 3.009 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001599652156 994521882 /nfs/dbraw/zinc/52/18/82/994521882.db2.gz GMBLPIRQVWLPHL-GOSISDBHSA-N -1 0 392.795 3.377 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC001599652570 994528489 /nfs/dbraw/zinc/52/84/89/994528489.db2.gz ADYHRQNSGTVFCY-KRWDZBQOSA-N -1 0 378.406 3.093 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001599652827 994531334 /nfs/dbraw/zinc/53/13/34/994531334.db2.gz QRJJQNWIEADPDG-IBGZPJMESA-N -1 0 387.392 3.423 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001599653630 994543555 /nfs/dbraw/zinc/54/35/55/994543555.db2.gz WRANBUIBVUKEKB-GOSISDBHSA-N -1 0 392.795 3.377 20 5 GGBDRM COc1cccc([C@@H](OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC001599658137 994613520 /nfs/dbraw/zinc/61/35/20/994613520.db2.gz BSYRPRMKJLOWMB-QLJPJBMISA-N -1 0 377.324 3.215 20 5 GGBDRM C[C@](NCc1csc(-c2ccccn2)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593311523 994783496 /nfs/dbraw/zinc/78/34/96/994783496.db2.gz GXHPWZLKDFRXEC-GOSISDBHSA-N -1 0 384.417 3.203 20 5 GGBDRM CNc1c(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cccc1[N+](=O)[O-] ZINC001598675678 994838148 /nfs/dbraw/zinc/83/81/48/994838148.db2.gz DBZDEODDTARSOU-UHFFFAOYSA-N -1 0 387.377 3.039 20 5 GGBDRM COc1cccc(CN2C(=O)N[C@@H](c3ccc([N+](=O)[O-])cc3)C(C(=O)[O-])=C2C)c1 ZINC001599673373 994854242 /nfs/dbraw/zinc/85/42/42/994854242.db2.gz RFBCHCLSAWVQKX-SFHVURJKSA-N -1 0 397.387 3.229 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001598680436 994919423 /nfs/dbraw/zinc/91/94/23/994919423.db2.gz IKKPQGGOQBAZQM-AWEZNQCLSA-N -1 0 383.404 3.185 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598680543 994920826 /nfs/dbraw/zinc/92/08/26/994920826.db2.gz NRVUZIIOACWLHP-UHFFFAOYSA-N -1 0 397.343 3.347 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001598680954 994927343 /nfs/dbraw/zinc/92/73/43/994927343.db2.gz WZNDWJYGTGGIGQ-UHFFFAOYSA-N -1 0 378.410 3.341 20 5 GGBDRM C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(OCC(=O)[O-])cc1 ZINC001593373934 995070576 /nfs/dbraw/zinc/07/05/76/995070576.db2.gz LIBQALRNPSULBV-VIFPVBQESA-N -1 0 396.197 3.389 20 5 GGBDRM C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593374066 995071349 /nfs/dbraw/zinc/07/13/49/995071349.db2.gz NRQYRCLKSOQTRR-GXFFZTMASA-N -1 0 394.225 3.496 20 5 GGBDRM C[C@@H](O)C[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001593450984 995348260 /nfs/dbraw/zinc/34/82/60/995348260.db2.gz PTBJQYZSIUGWMB-HIFRSBDPSA-N -1 0 398.415 3.264 20 5 GGBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccs2)no1 ZINC001593556130 995639430 /nfs/dbraw/zinc/63/94/30/995639430.db2.gz ANACKEYFJJJSOS-QMMMGPOBSA-N -1 0 389.345 3.323 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593619231 995860713 /nfs/dbraw/zinc/86/07/13/995860713.db2.gz BBJJWHVBXVBHPI-ZMZPIMSZSA-N -1 0 392.795 3.132 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001593619803 995864506 /nfs/dbraw/zinc/86/45/06/995864506.db2.gz PGVXSANNBOAZEF-QMMMGPOBSA-N -1 0 382.731 3.492 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001593619791 995864664 /nfs/dbraw/zinc/86/46/64/995864664.db2.gz ONMHUJRFAATWIV-ONGXEEELSA-N -1 0 398.824 3.409 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001593619855 995865277 /nfs/dbraw/zinc/86/52/77/995865277.db2.gz QWEXUQYSZSRKSE-JTQLQIEISA-N -1 0 382.800 3.014 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1F)C(=O)[O-] ZINC001593624053 995884247 /nfs/dbraw/zinc/88/42/47/995884247.db2.gz FOZAANCYKWVVRE-UWVGGRQHSA-N -1 0 394.330 3.467 20 5 GGBDRM C[C@@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC001593624055 995884334 /nfs/dbraw/zinc/88/43/34/995884334.db2.gz FOZAANCYKWVVRE-ZJUUUORDSA-N -1 0 394.330 3.467 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1F)C(=O)[O-] ZINC001593626089 995893885 /nfs/dbraw/zinc/89/38/85/995893885.db2.gz GJVFONRLDKQMBU-LLVKDONJSA-N -1 0 391.355 3.027 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1F)C(=O)[O-] ZINC001593627749 995900178 /nfs/dbraw/zinc/90/01/78/995900178.db2.gz XHCQIXMAEHLPIQ-NSHDSACASA-N -1 0 376.340 3.157 20 5 GGBDRM C[C@H](NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001593628085 995901674 /nfs/dbraw/zinc/90/16/74/995901674.db2.gz AJQZULMQFQPAJW-QWRGUYRKSA-N -1 0 391.355 3.469 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F)C(=O)[O-] ZINC001593632167 995919135 /nfs/dbraw/zinc/91/91/35/995919135.db2.gz RGVXRNMXQCZRIJ-SECBINFHSA-N -1 0 387.323 3.319 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F)C(=O)[O-] ZINC001593634410 995925600 /nfs/dbraw/zinc/92/56/00/995925600.db2.gz RSRCGOMPVNYJQN-MRVPVSSYSA-N -1 0 382.731 3.492 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593667095 996055574 /nfs/dbraw/zinc/05/55/74/996055574.db2.gz KNDOWKHOQDFWJV-VOJFVSQTSA-N -1 0 392.408 3.331 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593667329 996057222 /nfs/dbraw/zinc/05/72/22/996057222.db2.gz NMJXQJXVADWNMY-BDJLRTHQSA-N -1 0 392.408 3.199 20 5 GGBDRM C[C@@H](Sc1ccccc1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C(=O)[O-] ZINC001593672590 996077686 /nfs/dbraw/zinc/07/76/86/996077686.db2.gz GVQOIAWUYACIFM-SECBINFHSA-N -1 0 396.371 3.368 20 5 GGBDRM 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/nfs/dbraw/zinc/25/92/21/564259221.db2.gz GYZCQUXCRRSDKV-UHFFFAOYSA-N -1 0 379.419 3.322 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c([N+](=O)[O-])c1 ZINC000119233032 564261132 /nfs/dbraw/zinc/26/11/32/564261132.db2.gz GWQGPOQTCJFDEY-UHFFFAOYSA-N -1 0 379.419 3.322 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000014205629 564280402 /nfs/dbraw/zinc/28/04/02/564280402.db2.gz HUOGHORZCREHBA-UHFFFAOYSA-N -1 0 376.312 3.337 20 5 GGBDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000119994062 564299250 /nfs/dbraw/zinc/29/92/50/564299250.db2.gz WURDMQREFDANCD-UHFFFAOYSA-N -1 0 376.312 3.445 20 5 GGBDRM COc1ccc(Br)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017957917 564300035 /nfs/dbraw/zinc/30/00/35/564300035.db2.gz YGFAIMHORITYIS-UHFFFAOYSA-N -1 0 395.209 3.344 20 5 GGBDRM O=[N+]([O-])c1ccc(C([O-])=CS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000019822960 564304387 /nfs/dbraw/zinc/30/43/87/564304387.db2.gz JJTKKHFODSMPRL-UHFFFAOYSA-N -1 0 384.207 3.014 20 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564362779 /nfs/dbraw/zinc/36/27/79/564362779.db2.gz FDMSTSAVEFXRHP-UHFFFAOYSA-N -1 0 379.419 3.322 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000121735829 564384254 /nfs/dbraw/zinc/38/42/54/564384254.db2.gz JKINIQAYQTYETB-UHFFFAOYSA-N -1 0 376.419 3.223 20 5 GGBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000121737004 564384340 /nfs/dbraw/zinc/38/43/40/564384340.db2.gz GJSADQNCBGIYLL-UHFFFAOYSA-N -1 0 376.419 3.223 20 5 GGBDRM Cc1c(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC000122102743 564400165 /nfs/dbraw/zinc/40/01/65/564400165.db2.gz XXSSYRRTMFPCBQ-UHFFFAOYSA-N -1 0 384.175 3.493 20 5 GGBDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000032589657 564402325 /nfs/dbraw/zinc/40/23/25/564402325.db2.gz IBUUFWBXMBOWKJ-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000123711802 564459699 /nfs/dbraw/zinc/45/96/99/564459699.db2.gz HJAIFYIJWHAGBR-GFCCVEGCSA-N -1 0 386.401 3.388 20 5 GGBDRM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124108204 564471587 /nfs/dbraw/zinc/47/15/87/564471587.db2.gz CXALSYNJRRCHAR-JTQLQIEISA-N -1 0 399.296 3.225 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000124348466 564479955 /nfs/dbraw/zinc/47/99/55/564479955.db2.gz PEJFHECVUCSKPY-UHFFFAOYSA-N -1 0 387.211 3.167 20 5 GGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1I ZINC000124908970 564497403 /nfs/dbraw/zinc/49/74/03/564497403.db2.gz ZDZWDMAINVENCC-UHFFFAOYSA-N -1 0 384.129 3.157 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000048440661 564539409 /nfs/dbraw/zinc/53/94/09/564539409.db2.gz DAWHQOQLKYTGPG-UHFFFAOYSA-N -1 0 393.240 3.228 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(Cl)c1 ZINC000052798224 564576211 /nfs/dbraw/zinc/57/62/11/564576211.db2.gz HOSJSJKOAXYQDU-UHFFFAOYSA-N -1 0 378.797 3.439 20 5 GGBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000055589963 564625431 /nfs/dbraw/zinc/62/54/31/564625431.db2.gz XUQRWUNJRMHAGS-UHFFFAOYSA-N -1 0 380.275 3.275 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c(Cl)c1 ZINC000055589771 564625535 /nfs/dbraw/zinc/62/55/35/564625535.db2.gz FJLMVDFOZCXKFG-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM O=[N+]([O-])c1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000055589967 564625811 /nfs/dbraw/zinc/62/58/11/564625811.db2.gz CDMYKBVFWIQYDZ-UHFFFAOYSA-N -1 0 380.275 3.275 20 5 GGBDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C ZINC000055615179 564626238 /nfs/dbraw/zinc/62/62/38/564626238.db2.gz JYVOHHIHDXBSLE-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)n1 ZINC000128696778 564626722 /nfs/dbraw/zinc/62/67/22/564626722.db2.gz PEZQQZDEZOOBDW-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1 ZINC000055633793 564627007 /nfs/dbraw/zinc/62/70/07/564627007.db2.gz BUHNIHFEOKGNTE-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000055634019 564627116 /nfs/dbraw/zinc/62/71/16/564627116.db2.gz CPTSARPMZZORAU-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1Cl ZINC000055632980 564627675 /nfs/dbraw/zinc/62/76/75/564627675.db2.gz WLJWQXZOAQAALE-UHFFFAOYSA-N -1 0 386.813 3.456 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129350887 564646099 /nfs/dbraw/zinc/64/60/99/564646099.db2.gz ZFOPNUBCXQMIRQ-XWIASGKRSA-N -1 0 395.264 3.138 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncc(Br)cc1C ZINC000129595652 564653568 /nfs/dbraw/zinc/65/35/68/564653568.db2.gz HRLXQQDUCONWLA-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000057120215 564660436 /nfs/dbraw/zinc/66/04/36/564660436.db2.gz JBXYVJORCSDCMH-UHFFFAOYSA-N -1 0 376.419 3.223 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000057120292 564660724 /nfs/dbraw/zinc/66/07/24/564660724.db2.gz PODSHEMNPYQUHZ-UHFFFAOYSA-N -1 0 376.419 3.223 20 5 GGBDRM COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000058161066 564680116 /nfs/dbraw/zinc/68/01/16/564680116.db2.gz SBQOFMPTVIZECN-UHFFFAOYSA-N -1 0 376.312 3.423 20 5 GGBDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000131251181 564706578 /nfs/dbraw/zinc/70/65/78/564706578.db2.gz QKRFDMFNNKETEQ-UHFFFAOYSA-N -1 0 387.776 3.147 20 5 GGBDRM COc1c(F)cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000131286617 564707258 /nfs/dbraw/zinc/70/72/58/564707258.db2.gz PFVWGNRTOLZLMR-UHFFFAOYSA-N -1 0 378.740 3.336 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000131299699 564707695 /nfs/dbraw/zinc/70/76/95/564707695.db2.gz XNNACYRPYHFXHJ-UHFFFAOYSA-N -1 0 378.797 3.439 20 5 GGBDRM Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000134607027 564809114 /nfs/dbraw/zinc/80/91/14/564809114.db2.gz KACAPSVWDSGUJQ-UHFFFAOYSA-N -1 0 387.211 3.172 20 5 GGBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3ccc(Br)cc3)c2c1 ZINC000135521109 564832974 /nfs/dbraw/zinc/83/29/74/564832974.db2.gz DWUNFIJQXIATRZ-UHFFFAOYSA-N -1 0 397.210 3.034 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000069673771 564843090 /nfs/dbraw/zinc/84/30/90/564843090.db2.gz FOAQFVBGSBWLAY-UHFFFAOYSA-N -1 0 386.227 3.116 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cn2)c1C ZINC000070825451 564852081 /nfs/dbraw/zinc/85/20/81/564852081.db2.gz OGWNJVNSHSUZBZ-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000072301044 564861633 /nfs/dbraw/zinc/86/16/33/564861633.db2.gz CJWTUDYBXPTMNY-UHFFFAOYSA-N -1 0 376.312 3.428 20 5 GGBDRM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000143516318 564876071 /nfs/dbraw/zinc/87/60/71/564876071.db2.gz ARSLRQQGJPEVMK-UHFFFAOYSA-N -1 0 378.694 3.116 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000145693682 564879205 /nfs/dbraw/zinc/87/92/05/564879205.db2.gz VNVBIRLGXWQUBQ-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146869871 564882074 /nfs/dbraw/zinc/88/20/74/564882074.db2.gz HBKGGXBESVGTHA-SECBINFHSA-N -1 0 388.804 3.435 20 5 GGBDRM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146842269 564882110 /nfs/dbraw/zinc/88/21/10/564882110.db2.gz HUKYRLTWHZDKEM-UHFFFAOYSA-N -1 0 391.232 3.389 20 5 GGBDRM Cc1noc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C ZINC000151386074 564916886 /nfs/dbraw/zinc/91/68/86/564916886.db2.gz BJBYNRGLSHMAIJ-UHFFFAOYSA-N -1 0 390.215 3.071 20 5 GGBDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000103059644 564942206 /nfs/dbraw/zinc/94/22/06/564942206.db2.gz GJFXJRPWIKNTSO-UHFFFAOYSA-N -1 0 387.776 3.147 20 5 GGBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000152132318 564947868 /nfs/dbraw/zinc/94/78/68/564947868.db2.gz JBTCXNDGAPPRMM-UHFFFAOYSA-N -1 0 375.175 3.297 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Br)cn2)c1C ZINC000152158214 564948800 /nfs/dbraw/zinc/94/88/00/564948800.db2.gz DWXBWXIDIYFKTH-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000104936563 564961855 /nfs/dbraw/zinc/96/18/55/564961855.db2.gz MRRKBLZBMDQXFM-WCQYABFASA-N -1 0 377.194 3.349 20 5 GGBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000106008577 564975958 /nfs/dbraw/zinc/97/59/58/564975958.db2.gz RXYPUJONABOKHX-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000106008699 564976143 /nfs/dbraw/zinc/97/61/43/564976143.db2.gz MEKAGHNPUOKNOF-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccccc3Cl)n[nH]2)c1 ZINC000153192362 564987440 /nfs/dbraw/zinc/98/74/40/564987440.db2.gz UVEYYCDELVCKRW-UHFFFAOYSA-N -1 0 378.797 3.439 20 5 GGBDRM CN(CCc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000106919584 564992589 /nfs/dbraw/zinc/99/25/89/564992589.db2.gz AGJRVEDNKQGEOS-UHFFFAOYSA-N -1 0 379.210 3.378 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000109420801 565025252 /nfs/dbraw/zinc/02/52/52/565025252.db2.gz VVLHLNRCGINUHC-UHFFFAOYSA-N -1 0 392.618 3.207 20 5 GGBDRM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000156386688 565084462 /nfs/dbraw/zinc/08/44/62/565084462.db2.gz KDPMCSYAMZSGPS-VIFPVBQESA-N -1 0 383.253 3.138 20 5 GGBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Br ZINC000158904019 565186453 /nfs/dbraw/zinc/18/64/53/565186453.db2.gz FDUKIJCVVMTRJL-UHFFFAOYSA-N -1 0 387.211 3.172 20 5 GGBDRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000269474366 565192004 /nfs/dbraw/zinc/19/20/04/565192004.db2.gz 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ZINC000175101022 565678687 /nfs/dbraw/zinc/67/86/87/565678687.db2.gz UXESPEPCVFXSKH-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM CCn1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(F)(F)F ZINC000410406220 565683205 /nfs/dbraw/zinc/68/32/05/565683205.db2.gz LBIFINKXNFMZSW-UHFFFAOYSA-N -1 0 398.750 3.284 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000410403068 565683299 /nfs/dbraw/zinc/68/32/99/565683299.db2.gz KLIKKFFNGSMTGQ-UHFFFAOYSA-N -1 0 386.813 3.456 20 5 GGBDRM COc1ccc(Br)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000176670723 565793169 /nfs/dbraw/zinc/79/31/69/565793169.db2.gz STEATXMMLQQEFR-UHFFFAOYSA-N -1 0 387.211 3.167 20 5 GGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1Cc2cc(Br)ccc2O1 ZINC000194524131 565820341 /nfs/dbraw/zinc/82/03/41/565820341.db2.gz RXDQEWKMPUDOTO-CQSZACIVSA-N -1 0 379.166 3.005 20 5 GGBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000194556536 565822346 /nfs/dbraw/zinc/82/23/46/565822346.db2.gz 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Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)ccc1[N+](=O)[O-] ZINC000177774700 565873330 /nfs/dbraw/zinc/87/33/30/565873330.db2.gz ILOHLMVEAPKTCI-UHFFFAOYSA-N -1 0 382.448 3.284 20 5 GGBDRM Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178314886 565912558 /nfs/dbraw/zinc/91/25/58/565912558.db2.gz DAHNCOLBIUBRDD-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000285645950 565919578 /nfs/dbraw/zinc/91/95/78/565919578.db2.gz GLCMIZHAQAFZQY-OAHLLOKOSA-N -1 0 392.209 3.339 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)c(Br)c1 ZINC000414389712 565921984 /nfs/dbraw/zinc/92/19/84/565921984.db2.gz SHPPSFYKOLOYOU-UHFFFAOYSA-N -1 0 388.199 3.024 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)c(C(F)(F)F)c1 ZINC000414390489 565922507 /nfs/dbraw/zinc/92/25/07/565922507.db2.gz XXACKDKKDXJFRN-UHFFFAOYSA-N -1 0 377.300 3.280 20 5 GGBDRM COC(=O)[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000414400293 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O=C([O-])c1ccccc1C(=O)c1ccc(N2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000740240595 600560746 /nfs/dbraw/zinc/56/07/46/600560746.db2.gz WBTCLKBWPANCPK-AWEZNQCLSA-N -1 0 398.415 3.123 20 5 GGBDRM O=C([O-])c1cc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)cc([N+](=O)[O-])c1 ZINC000738672121 600574129 /nfs/dbraw/zinc/57/41/29/600574129.db2.gz DNBHYWAWNVXUHH-UHFFFAOYSA-N -1 0 396.311 3.358 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736700908 600589551 /nfs/dbraw/zinc/58/95/51/600589551.db2.gz OMXYBKNYILHNMU-MEDUHNTESA-N -1 0 392.795 3.300 20 5 GGBDRM C[C@@H](CC(=O)[O-])SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000736553125 600589713 /nfs/dbraw/zinc/58/97/13/600589713.db2.gz SMGJYGHIFFCORA-VIFPVBQESA-N -1 0 381.435 3.253 20 5 GGBDRM CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000737319925 600590743 /nfs/dbraw/zinc/59/07/43/600590743.db2.gz SNSBICZRDQWFPP-KRWDZBQOSA-N -1 0 392.795 3.301 20 5 GGBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H](C(=O)[O-])c1ccccc1 ZINC000737332824 600593357 /nfs/dbraw/zinc/59/33/57/600593357.db2.gz FAYXNLAAHLGVOH-AWEZNQCLSA-N -1 0 393.193 3.255 20 5 GGBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737332825 600593392 /nfs/dbraw/zinc/59/33/92/600593392.db2.gz FAYXNLAAHLGVOH-CQSZACIVSA-N -1 0 393.193 3.255 20 5 GGBDRM CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737338667 600599635 /nfs/dbraw/zinc/59/96/35/600599635.db2.gz INAUXQZREVFOIQ-GOSISDBHSA-N -1 0 383.404 3.093 20 5 GGBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000431523528 600601527 /nfs/dbraw/zinc/60/15/27/600601527.db2.gz XPTGJAQUWYGGCR-INIZCTEOSA-N -1 0 393.399 3.125 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC000486411228 600602852 /nfs/dbraw/zinc/60/28/52/600602852.db2.gz UDAATVNUYLAOOA-MRXNPFEDSA-N -1 0 378.384 3.421 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])c2ccccc2)cc1SC ZINC000737901540 600602903 /nfs/dbraw/zinc/60/29/03/600602903.db2.gz ADZGXOHCTWRDNU-UHFFFAOYSA-N -1 0 376.390 3.057 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC000486411226 600602967 /nfs/dbraw/zinc/60/29/67/600602967.db2.gz UDAATVNUYLAOOA-INIZCTEOSA-N -1 0 378.384 3.421 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1 ZINC000486394125 600607147 /nfs/dbraw/zinc/60/71/47/600607147.db2.gz AKVQFNFRYSSZSP-SFHVURJKSA-N -1 0 378.384 3.421 20 5 GGBDRM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485725825 600608677 /nfs/dbraw/zinc/60/86/77/600608677.db2.gz PVBSXCPNQATVCD-HWPZZCPQSA-N -1 0 392.795 3.452 20 5 GGBDRM COC[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737754278 600611437 /nfs/dbraw/zinc/61/14/37/600611437.db2.gz RUBQYODBYGXZHD-CQSZACIVSA-N -1 0 398.415 3.387 20 5 GGBDRM C[C@]1(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000736737850 600611589 /nfs/dbraw/zinc/61/15/89/600611589.db2.gz COKCMZFKZJMGFI-HXUWFJFHSA-N -1 0 384.388 3.363 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000736670700 600612317 /nfs/dbraw/zinc/61/23/17/600612317.db2.gz HBPIZCKXVKWJLW-MPBGBICISA-N -1 0 398.419 3.146 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)cc2[N+](=O)[O-])C1 ZINC000538504042 600615137 /nfs/dbraw/zinc/61/51/37/600615137.db2.gz ZDARRLHDIODUNK-RDXCRGQUSA-N -1 0 389.452 3.060 20 5 GGBDRM Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000738305701 600621113 /nfs/dbraw/zinc/62/11/13/600621113.db2.gz OYQRMQJVAPFDJY-UHFFFAOYSA-N -1 0 379.712 3.415 20 5 GGBDRM Cc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738263074 600623476 /nfs/dbraw/zinc/62/34/76/600623476.db2.gz QGOCETYPAUKXMF-UHFFFAOYSA-N -1 0 379.712 3.415 20 5 GGBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000178257196 600625191 /nfs/dbraw/zinc/62/51/91/600625191.db2.gz CHFSXWVQFCNWHH-UHFFFAOYSA-N -1 0 386.751 3.384 20 5 GGBDRM Cc1ccc(NCCCNC(=O)Nc2ccc(CC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000738632924 600626026 /nfs/dbraw/zinc/62/60/26/600626026.db2.gz PTEYJRJIFVMANF-UHFFFAOYSA-N -1 0 386.408 3.154 20 5 GGBDRM C[C@H]1CCCN(c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000610845530 600642615 /nfs/dbraw/zinc/64/26/15/600642615.db2.gz UFDGVVFYFFKZHS-BLLLJJGKSA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000736757252 600644663 /nfs/dbraw/zinc/64/46/63/600644663.db2.gz ZRUKBBUYYZPVED-XNJGSVPQSA-N -1 0 391.468 3.306 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000736757249 600644699 /nfs/dbraw/zinc/64/46/99/600644699.db2.gz ZRUKBBUYYZPVED-IIYDPXPESA-N -1 0 391.468 3.306 20 5 GGBDRM CC(C)(C)[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000610845501 600646075 /nfs/dbraw/zinc/64/60/75/600646075.db2.gz QAGOUYNZHIYVFJ-QGZVFWFLSA-N -1 0 385.420 3.436 20 5 GGBDRM CC(C)(C)[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000610845500 600646204 /nfs/dbraw/zinc/64/62/04/600646204.db2.gz QAGOUYNZHIYVFJ-KRWDZBQOSA-N -1 0 385.420 3.436 20 5 GGBDRM O=C([O-])c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000740121436 600658598 /nfs/dbraw/zinc/65/85/98/600658598.db2.gz SKJJOWNUCQRCKZ-UHFFFAOYSA-N -1 0 386.179 3.474 20 5 GGBDRM O=C([O-])c1cc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000738672880 600673700 /nfs/dbraw/zinc/67/37/00/600673700.db2.gz MGFRZJOJUOHJNH-UHFFFAOYSA-N -1 0 380.696 3.212 20 5 GGBDRM COC(=O)c1cc(NCc2cc([N+](=O)[O-])ccc2OC(C)C)cc(C(=O)[O-])c1 ZINC000737663812 600675922 /nfs/dbraw/zinc/67/59/22/600675922.db2.gz CLBKKTQGIUJBEP-UHFFFAOYSA-N -1 0 388.376 3.479 20 5 GGBDRM O=C([O-])c1cc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000833300597 600691084 /nfs/dbraw/zinc/69/10/84/600691084.db2.gz RCZXTTSIQSDNGH-WAYWQWQTSA-N -1 0 382.781 3.359 20 5 GGBDRM O=C([O-])c1cccc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)c1 ZINC000833326868 600695631 /nfs/dbraw/zinc/69/56/31/600695631.db2.gz WMZFJQIEODVZHD-UHFFFAOYSA-N -1 0 378.300 3.264 20 5 GGBDRM O=C([O-])c1cccc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)c1 ZINC000833326365 600696720 /nfs/dbraw/zinc/69/67/20/600696720.db2.gz KINKIIJQAZZCTO-UHFFFAOYSA-N -1 0 377.316 3.196 20 5 GGBDRM CSc1ccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000738210851 600696849 /nfs/dbraw/zinc/69/68/49/600696849.db2.gz BWYLHQCUANPQHO-SNVBAGLBSA-N -1 0 376.390 3.421 20 5 GGBDRM Cc1sc(NC(=O)COC(=O)c2cc(C)ccc2[N+](=O)[O-])c(C(=O)[O-])c1C ZINC000832958351 600707540 /nfs/dbraw/zinc/70/75/40/600707540.db2.gz WRUYIMUBKBJKTQ-UHFFFAOYSA-N -1 0 392.389 3.075 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000832958269 600707560 /nfs/dbraw/zinc/70/75/60/600707560.db2.gz RIEHCQLHGYZXDY-UHFFFAOYSA-N -1 0 379.752 3.491 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547915602 600709254 /nfs/dbraw/zinc/70/92/54/600709254.db2.gz KUWHPZDRMSVKCH-ZDUSSCGKSA-N -1 0 398.824 3.051 20 5 GGBDRM Cc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C(=O)[O-] ZINC000552006639 600775037 /nfs/dbraw/zinc/77/50/37/600775037.db2.gz CNEJDFVVJULYCY-UHFFFAOYSA-N -1 0 392.433 3.201 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000736671017 600776869 /nfs/dbraw/zinc/77/68/69/600776869.db2.gz INNKPRCCAQQMPF-GFCCVEGCSA-N -1 0 386.408 3.146 20 5 GGBDRM CC(C)(CC(=O)[O-])NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000736307522 600777465 /nfs/dbraw/zinc/77/74/65/600777465.db2.gz DAZHMNUVTRCJJJ-UHFFFAOYSA-N -1 0 380.344 3.075 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC(C)(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736755695 600779191 /nfs/dbraw/zinc/77/91/91/600779191.db2.gz ORYCGHPKKLPSKO-STQMWFEESA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC(C)(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736755690 600779296 /nfs/dbraw/zinc/77/92/96/600779296.db2.gz ORYCGHPKKLPSKO-BETUJISGSA-N -1 0 377.441 3.060 20 5 GGBDRM CN(C)[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000737360192 600788449 /nfs/dbraw/zinc/78/84/49/600788449.db2.gz GBILOAIZAXWQCO-HNNXBMFYSA-N -1 0 377.784 3.188 20 5 GGBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N[C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000740238901 600792225 /nfs/dbraw/zinc/79/22/25/600792225.db2.gz BKXYGQKRPJWAGT-MRXNPFEDSA-N -1 0 384.388 3.097 20 5 GGBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N[C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000740238899 600792320 /nfs/dbraw/zinc/79/23/20/600792320.db2.gz BKXYGQKRPJWAGT-INIZCTEOSA-N -1 0 384.388 3.097 20 5 GGBDRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000776672664 600797792 /nfs/dbraw/zinc/79/77/92/600797792.db2.gz ATYFNLGHZUHWAE-CYBMUJFWSA-N -1 0 378.768 3.203 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000776675000 600798140 /nfs/dbraw/zinc/79/81/40/600798140.db2.gz XLNFBYLUQGUMKR-HNNXBMFYSA-N -1 0 391.811 3.382 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000776675001 600798267 /nfs/dbraw/zinc/79/82/67/600798267.db2.gz XLNFBYLUQGUMKR-OAHLLOKOSA-N -1 0 391.811 3.382 20 5 GGBDRM CNc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000776675180 600799687 /nfs/dbraw/zinc/79/96/87/600799687.db2.gz YZEFWWCZSPOIBE-AWEZNQCLSA-N -1 0 377.784 3.236 20 5 GGBDRM CC(C)[C@](C)(O)CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000826676051 600802515 /nfs/dbraw/zinc/80/25/15/600802515.db2.gz AMWMFEBVZWJWCF-HXUWFJFHSA-N -1 0 386.404 3.343 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000776673576 600803955 /nfs/dbraw/zinc/80/39/55/600803955.db2.gz NIYGHPGYDFIUBV-AWEZNQCLSA-N -1 0 388.767 3.070 20 5 GGBDRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000776678790 600807156 /nfs/dbraw/zinc/80/71/56/600807156.db2.gz SFWIFHLNFQFGEG-ZDUSSCGKSA-N -1 0 378.768 3.203 20 5 GGBDRM CCc1nnc(-c2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)o1 ZINC000830328190 600810213 /nfs/dbraw/zinc/81/02/13/600810213.db2.gz LXPNJPSOXIMVQD-UHFFFAOYSA-N -1 0 382.332 3.158 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@@H]2CC(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703885 600811579 /nfs/dbraw/zinc/81/15/79/600811579.db2.gz SXZPOEKKMKGCTE-GXTWGEPZSA-N -1 0 377.441 3.203 20 5 GGBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000833333079 600812100 /nfs/dbraw/zinc/81/21/00/600812100.db2.gz MHYHWNSJUKSOGX-FUHWJXTLSA-N -1 0 384.388 3.239 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000832958327 600815036 /nfs/dbraw/zinc/81/50/36/600815036.db2.gz VJBUITNRPYUZIL-AWEZNQCLSA-N -1 0 384.388 3.277 20 5 GGBDRM 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0 390.436 3.493 20 5 GGBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC000738213417 601038308 /nfs/dbraw/zinc/03/83/08/601038308.db2.gz VYXYHNKIEOFTRP-UHFFFAOYSA-N -1 0 379.419 3.281 20 5 GGBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000485752217 601044762 /nfs/dbraw/zinc/04/47/62/601044762.db2.gz WEIOJGJWWSPJII-SNVBAGLBSA-N -1 0 378.768 3.144 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000617715340 601054616 /nfs/dbraw/zinc/05/46/16/601054616.db2.gz FJCVQHBROJRHMR-UHFFFAOYSA-N -1 0 379.372 3.281 20 5 GGBDRM CCc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000431982418 601058299 /nfs/dbraw/zinc/05/82/99/601058299.db2.gz SGHSPRBZXOSSRL-UHFFFAOYSA-N -1 0 378.331 3.162 20 5 GGBDRM COC(=O)c1cc2cc(COC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2o1 ZINC000831353423 601064889 /nfs/dbraw/zinc/06/48/89/601064889.db2.gz KNQREWQNYKVIDR-UHFFFAOYSA-N -1 0 399.311 3.183 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC000832973190 601070841 /nfs/dbraw/zinc/07/08/41/601070841.db2.gz ZHPJPULLJQHSAX-UHFFFAOYSA-N -1 0 379.752 3.491 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000736702959 601077188 /nfs/dbraw/zinc/07/71/88/601077188.db2.gz IAXFULFIQZQJLB-FZMZJTMJSA-N -1 0 392.795 3.000 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000486354578 601077241 /nfs/dbraw/zinc/07/72/41/601077241.db2.gz GDDZFIDYKDMNCG-OAHLLOKOSA-N -1 0 397.412 3.317 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000486354572 601077344 /nfs/dbraw/zinc/07/73/44/601077344.db2.gz GDDZFIDYKDMNCG-HNNXBMFYSA-N -1 0 397.412 3.317 20 5 GGBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833090689 601077895 /nfs/dbraw/zinc/07/78/95/601077895.db2.gz AVQOZTBZTPBXAG-UHFFFAOYSA-N -1 0 399.384 3.356 20 5 GGBDRM COc1ccc(CC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000832287934 601078954 /nfs/dbraw/zinc/07/89/54/601078954.db2.gz YAJFQWWLQDQBBQ-UHFFFAOYSA-N -1 0 393.421 3.237 20 5 GGBDRM COc1ccc(CC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598661283 601081881 /nfs/dbraw/zinc/08/18/81/601081881.db2.gz IGPBPRCSLMSFON-RDJZCZTQSA-N -1 0 390.436 3.028 20 5 GGBDRM COc1cc(C(=O)[O-])cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1OC ZINC000831897610 601082576 /nfs/dbraw/zinc/08/25/76/601082576.db2.gz TXLHSHOPHDLTNR-JTQLQIEISA-N -1 0 389.364 3.193 20 5 GGBDRM CNc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598660588 601088992 /nfs/dbraw/zinc/08/89/92/601088992.db2.gz BSPOAPITWOVRQT-PBHICJAKSA-N -1 0 375.425 3.132 20 5 GGBDRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000833176865 601092697 /nfs/dbraw/zinc/09/26/97/601092697.db2.gz IHFGRUXMNPWUBM-DOTOQJQBSA-N -1 0 390.436 3.246 20 5 GGBDRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000833176867 601092795 /nfs/dbraw/zinc/09/27/95/601092795.db2.gz IHFGRUXMNPWUBM-RDJZCZTQSA-N -1 0 390.436 3.246 20 5 GGBDRM CCO[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCCCC2 ZINC000531748335 601094312 /nfs/dbraw/zinc/09/43/12/601094312.db2.gz GISXQNIEAFWDGP-HZPDHXFCSA-N -1 0 376.409 3.151 20 5 GGBDRM Cc1[nH]c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000738159432 601094411 /nfs/dbraw/zinc/09/44/11/601094411.db2.gz KJKCAROJYLWVSH-MRXNPFEDSA-N -1 0 375.406 3.126 20 5 GGBDRM COc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000831989517 601113813 /nfs/dbraw/zinc/11/38/13/601113813.db2.gz FVYRQCKBTDLQKG-UHFFFAOYSA-N -1 0 394.811 3.352 20 5 GGBDRM Cc1cc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cc([N+](=O)[O-])c1 ZINC000832867817 601122084 /nfs/dbraw/zinc/12/20/84/601122084.db2.gz JGIMTKZMRKECNB-UHFFFAOYSA-N -1 0 379.752 3.491 20 5 GGBDRM 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601152132 /nfs/dbraw/zinc/15/21/32/601152132.db2.gz ZYWRSMOMUMNLHS-UHFFFAOYSA-N -1 0 395.165 3.316 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1SC ZINC000832097749 601152773 /nfs/dbraw/zinc/15/27/73/601152773.db2.gz KSQJYVDUJGKRFC-UHFFFAOYSA-N -1 0 394.380 3.196 20 5 GGBDRM CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000830522949 601158787 /nfs/dbraw/zinc/15/87/87/601158787.db2.gz DVZWDQUPGVZAHD-CQSZACIVSA-N -1 0 393.193 3.255 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000486049470 601165646 /nfs/dbraw/zinc/16/56/46/601165646.db2.gz BBXKJVRXELSEFF-YJYMSZOUSA-N -1 0 381.388 3.128 20 5 GGBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000486049469 601165768 /nfs/dbraw/zinc/16/57/68/601165768.db2.gz BBXKJVRXELSEFF-ORAYPTAESA-N -1 0 381.388 3.128 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000486049467 601165834 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O=C([O-])COc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1Cl ZINC000537370126 604845203 /nfs/dbraw/zinc/84/52/03/604845203.db2.gz XXFDXNSEFUGNBE-UHFFFAOYSA-N -1 0 393.783 3.152 20 5 GGBDRM CCOc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000520554773 604847310 /nfs/dbraw/zinc/84/73/10/604847310.db2.gz FLOONWBLZLPMDL-UHFFFAOYSA-N -1 0 394.767 3.363 20 5 GGBDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2ccccc2[N+](=O)[O-])cc1 ZINC000013189478 604852928 /nfs/dbraw/zinc/85/29/28/604852928.db2.gz AKHZBTMIODOVOZ-AWEZNQCLSA-N -1 0 390.417 3.028 20 5 GGBDRM CC(C)NC(=O)c1ccc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000833501510 604873630 /nfs/dbraw/zinc/87/36/30/604873630.db2.gz BIUMJVPQQARSBM-CQSZACIVSA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@H](O)[C@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833527260 604874843 /nfs/dbraw/zinc/87/48/43/604874843.db2.gz JVPAAZZKYBZTQB-ZFWWWQNUSA-N -1 0 398.415 3.121 20 5 GGBDRM C[C@@]1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC[C@@H]1C(=O)[O-] ZINC000262725830 604888716 /nfs/dbraw/zinc/88/87/16/604888716.db2.gz GLBGUXSMFBRDGP-UZUQRXQVSA-N -1 0 392.455 3.304 20 5 GGBDRM CC(C)c1[nH]nc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000827097133 604890966 /nfs/dbraw/zinc/89/09/66/604890966.db2.gz DMOAKUWKCCJFOW-UHFFFAOYSA-N -1 0 392.437 3.402 20 5 GGBDRM CC[C@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1cccc([N+](=O)[O-])c1 ZINC000833643560 604924123 /nfs/dbraw/zinc/92/41/23/604924123.db2.gz XVEWTHDIHOFFQG-AWEZNQCLSA-N -1 0 383.364 3.442 20 5 GGBDRM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833636902 604932199 /nfs/dbraw/zinc/93/21/99/604932199.db2.gz DQZDKEKEARSQRF-SFHVURJKSA-N -1 0 395.412 3.173 20 5 GGBDRM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833408625 604937484 /nfs/dbraw/zinc/93/74/84/604937484.db2.gz HBNSVSBAKKDFGI-VXGBXAGGSA-N -1 0 397.859 3.398 20 5 GGBDRM 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C[C@@]1(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC[C@@H]1C(=O)[O-] ZINC000833568586 604963952 /nfs/dbraw/zinc/96/39/52/604963952.db2.gz ZMVUGSHTOMWTEQ-IUODEOHRSA-N -1 0 385.214 3.121 20 5 GGBDRM C[C@]1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833567011 604964617 /nfs/dbraw/zinc/96/46/17/604964617.db2.gz DFAIODUDTQOCHZ-ABAIWWIYSA-N -1 0 385.214 3.121 20 5 GGBDRM C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC[C@H]1C(=O)[O-] ZINC000833570563 604968478 /nfs/dbraw/zinc/96/84/78/604968478.db2.gz CPBXSBGVRXJLRI-NHYWBVRUSA-N -1 0 385.214 3.121 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000833539080 604969093 /nfs/dbraw/zinc/96/90/93/604969093.db2.gz KIQKVWXGDZCQHQ-GSDQYQHOSA-N -1 0 384.816 3.165 20 5 GGBDRM Cc1ccc([C@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000832920478 604982584 /nfs/dbraw/zinc/98/25/84/604982584.db2.gz AZLWOVADGLBFKM-JTQLQIEISA-N -1 0 378.410 3.260 20 5 GGBDRM 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ZINC000121981455 1414330234 /nfs/dbraw/zinc/33/02/34/1414330234.db2.gz SIDLVNGRWNQBMC-LLVKDONJSA-N -1 0 395.412 3.063 20 5 GGBDRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)sc2C1 ZINC000177615318 1428811515 /nfs/dbraw/zinc/81/15/15/1428811515.db2.gz ZCKCQVJVTLWYPS-JTQLQIEISA-N -1 0 397.478 3.376 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)c(F)c1 ZINC000122542060 1414495309 /nfs/dbraw/zinc/49/53/09/1414495309.db2.gz GUFUGDAORGPLAO-UHFFFAOYSA-N -1 0 398.322 3.203 20 5 GGBDRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000122584155 1414507947 /nfs/dbraw/zinc/50/79/47/1414507947.db2.gz XENOFIKWQYPDDK-LLVKDONJSA-N -1 0 382.463 3.217 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000123692075 1414810593 /nfs/dbraw/zinc/81/05/93/1414810593.db2.gz QCTLQXVOHJZDMJ-UHFFFAOYSA-N -1 0 393.421 3.336 20 5 GGBDRM CCCOCc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123733445 1414817700 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O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000130797476 1416453791 /nfs/dbraw/zinc/45/37/91/1416453791.db2.gz RKISVFKSZUZRBZ-UHFFFAOYSA-N -1 0 392.618 3.207 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000131283851 1416535056 /nfs/dbraw/zinc/53/50/56/1416535056.db2.gz ZYZNGGWRIHLYIZ-UHFFFAOYSA-N -1 0 392.824 3.294 20 5 GGBDRM O=[N+]([O-])c1cccc(-c2noc(CSc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000738366064 1429105352 /nfs/dbraw/zinc/10/53/52/1429105352.db2.gz ATGYRJSVNIQXNQ-UHFFFAOYSA-N -1 0 381.377 3.117 20 5 GGBDRM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000131347400 1416543215 /nfs/dbraw/zinc/54/32/15/1416543215.db2.gz AMMXEPKGPHOLMQ-UHFFFAOYSA-N -1 0 375.344 3.491 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCc2cc(Cl)cs2)ccc1[N+](=O)[O-] ZINC000131381829 1416548458 /nfs/dbraw/zinc/54/84/58/1416548458.db2.gz XPBLMSXQECCTFH-UHFFFAOYSA-N -1 0 388.854 3.056 20 5 GGBDRM Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000132320880 1416735723 /nfs/dbraw/zinc/73/57/23/1416735723.db2.gz FMDUCICBNVZHIF-UHFFFAOYSA-N -1 0 392.368 3.202 20 5 GGBDRM CCCCCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000132401226 1416752454 /nfs/dbraw/zinc/75/24/54/1416752454.db2.gz MEUVBQRSMPBGNL-UHFFFAOYSA-N -1 0 393.259 3.133 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cc([N+](=O)[O-])c1F ZINC000132486075 1416771157 /nfs/dbraw/zinc/77/11/57/1416771157.db2.gz SDUVHNDDBQLHCJ-UHFFFAOYSA-N -1 0 394.359 3.168 20 5 GGBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000132770681 1416813005 /nfs/dbraw/zinc/81/30/05/1416813005.db2.gz VQJCPGWCLNMSOS-UHFFFAOYSA-N -1 0 377.353 3.498 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1F ZINC000132781030 1416814388 /nfs/dbraw/zinc/81/43/88/1416814388.db2.gz SBYRDUVGAUKIIV-UHFFFAOYSA-N -1 0 377.353 3.498 20 5 GGBDRM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823387671 1429132161 /nfs/dbraw/zinc/13/21/61/1429132161.db2.gz 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GGBDRM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2C)o1 ZINC000135406960 1417215775 /nfs/dbraw/zinc/21/57/75/1417215775.db2.gz UNLJVBUXLMANFN-UHFFFAOYSA-N -1 0 394.384 3.443 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccc(C)o3)c2C)cc1[N+](=O)[O-] ZINC000135410098 1417216547 /nfs/dbraw/zinc/21/65/47/1417216547.db2.gz LEUMFWNZHNUZFY-UHFFFAOYSA-N -1 0 392.393 3.004 20 5 GGBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2c1 ZINC000135522721 1417232894 /nfs/dbraw/zinc/23/28/94/1417232894.db2.gz CEJITPWIKOLCPJ-UHFFFAOYSA-N -1 0 386.311 3.291 20 5 GGBDRM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000135668587 1417255749 /nfs/dbraw/zinc/25/57/49/1417255749.db2.gz OUDRHYIDFIHEQN-UHFFFAOYSA-N -1 0 391.449 3.186 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000135700988 1417259646 /nfs/dbraw/zinc/25/96/46/1417259646.db2.gz DDYVUHOLGZRXOU-UHFFFAOYSA-N -1 0 399.428 3.390 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1[N+](=O)[O-] ZINC000135953013 1417281429 /nfs/dbraw/zinc/28/14/29/1417281429.db2.gz WLIWQRGYCDYKIH-UHFFFAOYSA-N -1 0 394.796 3.407 20 5 GGBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000178799107 1429173987 /nfs/dbraw/zinc/17/39/87/1429173987.db2.gz KOLJZZWEKJVKKF-UHFFFAOYSA-N -1 0 386.751 3.384 20 5 GGBDRM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000138325183 1417410445 /nfs/dbraw/zinc/41/04/45/1417410445.db2.gz OMMTWXXWYZJBDE-UHFFFAOYSA-N -1 0 395.419 3.079 20 5 GGBDRM COc1cc(C(=O)[N-]c2nnc(C(F)F)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000144549153 1417664440 /nfs/dbraw/zinc/66/44/40/1417664440.db2.gz RAMGJHBULWGRAZ-UHFFFAOYSA-N -1 0 396.278 3.246 20 5 GGBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000144979949 1417678620 /nfs/dbraw/zinc/67/86/20/1417678620.db2.gz GHLNQVMAXAVCMY-UHFFFAOYSA-N -1 0 380.397 3.461 20 5 GGBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1NC(C)=O ZINC000145691170 1417696126 /nfs/dbraw/zinc/69/61/26/1417696126.db2.gz WFYAFRGSWVDMEQ-UHFFFAOYSA-N -1 0 399.812 3.016 20 5 GGBDRM COc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1NC(C)=O ZINC000146007556 1417707358 /nfs/dbraw/zinc/70/73/58/1417707358.db2.gz TUAIVDTWXKEZRV-UHFFFAOYSA-N -1 0 399.812 3.016 20 5 GGBDRM CN(C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146127028 1417711640 /nfs/dbraw/zinc/71/16/40/1417711640.db2.gz KVDWDPLAMCNSTI-UHFFFAOYSA-N -1 0 398.828 3.143 20 5 GGBDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000147418922 1417746786 /nfs/dbraw/zinc/74/67/86/1417746786.db2.gz FAGHBJXRUBEHLL-ZDUSSCGKSA-N -1 0 391.449 3.238 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)cc1[N+](=O)[O-] ZINC000150976834 1417847345 /nfs/dbraw/zinc/84/73/45/1417847345.db2.gz IJZNIUPGWOMPPA-UHFFFAOYSA-N -1 0 397.409 3.461 20 5 GGBDRM Cc1c(NC(=O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000151388224 1417945157 /nfs/dbraw/zinc/94/51/57/1417945157.db2.gz UEJCAFZYTFYHDT-UHFFFAOYSA-N -1 0 397.309 3.109 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)cc1[N+](=O)[O-] ZINC000151430167 1417964955 /nfs/dbraw/zinc/96/49/55/1417964955.db2.gz AUMQCRCYIKLDAJ-UHFFFAOYSA-N -1 0 393.812 3.143 20 5 GGBDRM C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151442379 1417971762 /nfs/dbraw/zinc/97/17/62/1417971762.db2.gz WYIZMVWREXBALS-AWEZNQCLSA-N -1 0 382.482 3.190 20 5 GGBDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000151478095 1417993274 /nfs/dbraw/zinc/99/32/74/1417993274.db2.gz NRNPEQRJQSKILA-INIZCTEOSA-N -1 0 390.461 3.167 20 5 GGBDRM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000151486644 1417997353 /nfs/dbraw/zinc/99/73/53/1417997353.db2.gz ZMGFNAASCSVURW-CYBMUJFWSA-N -1 0 375.859 3.308 20 5 GGBDRM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nccs1 ZINC000151486571 1417997735 /nfs/dbraw/zinc/99/77/35/1417997735.db2.gz ZMGFNAASCSVURW-ZDUSSCGKSA-N -1 0 375.859 3.308 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc([N+](=O)[O-])c1F ZINC000179123567 1429269933 /nfs/dbraw/zinc/26/99/33/1429269933.db2.gz PDGJZSYPXXBDHO-UHFFFAOYSA-N -1 0 379.291 3.257 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826293233 1429307078 /nfs/dbraw/zinc/30/70/78/1429307078.db2.gz HDEYYLHSISNGIO-UHFFFAOYSA-N -1 0 390.197 3.425 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000738361047 1429321234 /nfs/dbraw/zinc/32/12/34/1429321234.db2.gz TXDLXXFTJBIHIU-UHFFFAOYSA-N -1 0 394.160 3.256 20 5 GGBDRM Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(OC(C)(C)C)c1 ZINC000822238696 1429360220 /nfs/dbraw/zinc/36/02/20/1429360220.db2.gz QSAMQHWACFPTHT-UHFFFAOYSA-N -1 0 383.412 3.268 20 5 GGBDRM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823639470 1429360578 /nfs/dbraw/zinc/36/05/78/1429360578.db2.gz AVRHRYVVYCZZEC-LBPRGKRZSA-N -1 0 385.815 3.119 20 5 GGBDRM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179512288 1429403320 /nfs/dbraw/zinc/40/33/20/1429403320.db2.gz CLHVSSUFJOAYCL-ZDUSSCGKSA-N -1 0 375.356 3.283 20 5 GGBDRM O=[N+]([O-])c1ncccc1Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738373757 1429414309 /nfs/dbraw/zinc/41/43/09/1429414309.db2.gz GUTZHROKIZHPQA-UHFFFAOYSA-N -1 0 389.375 3.493 20 5 GGBDRM Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737355879 1429457172 /nfs/dbraw/zinc/45/71/72/1429457172.db2.gz MIMOUZFCLPHNOU-UHFFFAOYSA-N -1 0 396.407 3.271 20 5 GGBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000179660402 1429495476 /nfs/dbraw/zinc/49/54/76/1429495476.db2.gz VBRKNQUJJLRRJT-UHFFFAOYSA-N -1 0 390.421 3.340 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(N(C)C)oc3c2)c1C ZINC000152394965 1422091659 /nfs/dbraw/zinc/09/16/59/1422091659.db2.gz KMSVWXWPIKRYBW-UHFFFAOYSA-N -1 0 390.421 3.220 20 5 GGBDRM Cc1c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000152613369 1422165314 /nfs/dbraw/zinc/16/53/14/1422165314.db2.gz IMQKRFNKPDBJDR-UHFFFAOYSA-N -1 0 394.359 3.168 20 5 GGBDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000152684677 1422208448 /nfs/dbraw/zinc/20/84/48/1422208448.db2.gz DUSKAFGQZTVELO-UHFFFAOYSA-N -1 0 390.396 3.337 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)nc2C)ccc1[N+](=O)[O-] ZINC000179753722 1429539962 /nfs/dbraw/zinc/53/99/62/1429539962.db2.gz RSBAZZGUEVDUPE-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000152748603 1422235317 /nfs/dbraw/zinc/23/53/17/1422235317.db2.gz OZUPFEIEIZERPK-SNVBAGLBSA-N -1 0 398.387 3.180 20 5 GGBDRM Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(OCC(F)(F)F)c1 ZINC000153131391 1422367341 /nfs/dbraw/zinc/36/73/41/1422367341.db2.gz BZJPYQRJJGMHAV-UHFFFAOYSA-N -1 0 384.310 3.480 20 5 GGBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)n[nH]2)c1 ZINC000153195067 1422387928 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SFYPZGRFEYAMII-UHFFFAOYSA-N -1 0 381.377 3.117 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000155496699 1423386998 /nfs/dbraw/zinc/38/69/98/1423386998.db2.gz MTVGOFAWDUBFDC-GFCCVEGCSA-N -1 0 396.852 3.240 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000823634211 1423557594 /nfs/dbraw/zinc/55/75/94/1423557594.db2.gz DFZAZWGFRZZOSL-UHFFFAOYSA-N -1 0 397.576 3.378 20 5 GGBDRM O=C(Nc1nnn[n-]1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000184061597 1423605789 /nfs/dbraw/zinc/60/57/89/1423605789.db2.gz FIZWSOZBMUPOKS-UHFFFAOYSA-N -1 0 376.785 3.165 20 5 GGBDRM O=[N+]([O-])c1cc(Br)cnc1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823635520 1423636771 /nfs/dbraw/zinc/63/67/71/1423636771.db2.gz ZYJIOIZRYHYDLX-UHFFFAOYSA-N -1 0 379.199 3.084 20 5 GGBDRM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000826465144 1423683461 /nfs/dbraw/zinc/68/34/61/1423683461.db2.gz ANJSWIIYTMXWHL-UHFFFAOYSA-N -1 0 394.174 3.439 20 5 GGBDRM 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CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175779795 1427889988 /nfs/dbraw/zinc/88/99/88/1427889988.db2.gz ULSPRBQFARPXAV-UHFFFAOYSA-N -1 0 384.436 3.074 20 5 GGBDRM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC000824065015 1427906221 /nfs/dbraw/zinc/90/62/21/1427906221.db2.gz RVSSSVXSZUOSOK-UHFFFAOYSA-N -1 0 392.828 3.406 20 5 GGBDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000176023356 1428032617 /nfs/dbraw/zinc/03/26/17/1428032617.db2.gz OGJMZDUJORUWFM-UHFFFAOYSA-N -1 0 382.463 3.101 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826293489 1428115215 /nfs/dbraw/zinc/11/52/15/1428115215.db2.gz QUSFMMOVQUQFHA-GFCCVEGCSA-N -1 0 399.432 3.480 20 5 GGBDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000176239665 1428186914 /nfs/dbraw/zinc/18/69/14/1428186914.db2.gz VACFLFOZGVIGJC-UHFFFAOYSA-N -1 0 389.216 3.161 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738360431 1429807963 /nfs/dbraw/zinc/80/79/63/1429807963.db2.gz WRPDQANDMGLZNL-UHFFFAOYSA-N -1 0 386.362 3.437 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NCCc3ccc(F)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000738367511 1429813037 /nfs/dbraw/zinc/81/30/37/1429813037.db2.gz UBNIIGCAHWCOIZ-UHFFFAOYSA-N -1 0 379.355 3.117 20 5 GGBDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(-n2ccnc2)c1 ZINC000820461894 1429824553 /nfs/dbraw/zinc/82/45/53/1429824553.db2.gz SLDDFBHRWFMADK-GFCCVEGCSA-N -1 0 376.380 3.134 20 5 GGBDRM COc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000737094896 1429904740 /nfs/dbraw/zinc/90/47/40/1429904740.db2.gz CMFXKXQFWHREAN-UHFFFAOYSA-N -1 0 395.354 3.083 20 5 GGBDRM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820481519 1429930506 /nfs/dbraw/zinc/93/05/06/1429930506.db2.gz WXRGAASERRXSQI-LBPRGKRZSA-N -1 0 397.391 3.237 20 5 GGBDRM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000821109211 1429997556 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CNEAWBHFBFRRRU-UHFFFAOYSA-N -1 0 385.355 3.396 20 5 GGBDRM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000826203306 1430124608 /nfs/dbraw/zinc/12/46/08/1430124608.db2.gz ISFZNYSQYQAMSV-UHFFFAOYSA-N -1 0 384.396 3.183 20 5 GGBDRM O=[N+]([O-])c1ccccc1CNc1ccn(-c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826500942 1430168203 /nfs/dbraw/zinc/16/82/03/1430168203.db2.gz SHWRBFHYHFBGPT-UHFFFAOYSA-N -1 0 396.798 3.226 20 5 GGBDRM CC(C)Oc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000820160655 1430178802 /nfs/dbraw/zinc/17/88/02/1430178802.db2.gz OWPVVQCQBSMERV-BJMVGYQFSA-N -1 0 394.391 3.214 20 5 GGBDRM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C1 ZINC000181073845 1430198773 /nfs/dbraw/zinc/19/87/73/1430198773.db2.gz CYGRKKKNFVSWJC-UHFFFAOYSA-N -1 0 375.450 3.367 20 5 GGBDRM Cc1cc(F)cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203162 1430235102 /nfs/dbraw/zinc/23/51/02/1430235102.db2.gz HMTRJVKEISAQJM-UHFFFAOYSA-N -1 0 376.735 3.128 20 5 GGBDRM O=[N+]([O-])c1cnc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826501052 1430239383 /nfs/dbraw/zinc/23/93/83/1430239383.db2.gz XLXDLTRUIHCYPO-CQSZACIVSA-N -1 0 381.371 3.357 20 5 GGBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1(c2ccccc2)CC1 ZINC000826450480 1430241603 /nfs/dbraw/zinc/24/16/03/1430241603.db2.gz OEJQNFGOXLZQCY-UHFFFAOYSA-N -1 0 384.783 3.099 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c(C)c1F ZINC000181326904 1430273395 /nfs/dbraw/zinc/27/33/95/1430273395.db2.gz JTIZHSQLLVGGIE-UHFFFAOYSA-N -1 0 391.380 3.400 20 5 GGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000181539766 1430317280 /nfs/dbraw/zinc/31/72/80/1430317280.db2.gz SACFREIJGFEUCS-QWHCGFSZSA-N -1 0 395.843 3.321 20 5 GGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000181539715 1430317329 /nfs/dbraw/zinc/31/73/29/1430317329.db2.gz SACFREIJGFEUCS-OLZOCXBDSA-N -1 0 395.843 3.321 20 5 GGBDRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000181538147 1430317499 /nfs/dbraw/zinc/31/74/99/1430317499.db2.gz URSPILLCQGSPQP-WDEREUQCSA-N -1 0 383.832 3.177 20 5 GGBDRM COc1cc(CNc2nnc(CCCc3ccccc3)o2)cc([N+](=O)[O-])c1[O-] ZINC000181841939 1430370886 /nfs/dbraw/zinc/37/08/86/1430370886.db2.gz AAEJWVLPKAEFES-UHFFFAOYSA-N -1 0 384.392 3.479 20 5 GGBDRM C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000181893040 1430378940 /nfs/dbraw/zinc/37/89/40/1430378940.db2.gz ORANSQOOPFKBFU-OKILXGFUSA-N -1 0 385.420 3.162 20 5 GGBDRM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181951920 1430387542 /nfs/dbraw/zinc/38/75/42/1430387542.db2.gz JFQHWEJMSBTELJ-UHFFFAOYSA-N -1 0 389.795 3.442 20 5 GGBDRM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181990103 1430392539 /nfs/dbraw/zinc/39/25/39/1430392539.db2.gz KYHVVJGQBCWLBL-UHFFFAOYSA-N -1 0 382.775 3.382 20 5 GGBDRM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182009471 1430395556 /nfs/dbraw/zinc/39/55/56/1430395556.db2.gz NGXDMTYZUZXHDK-UHFFFAOYSA-N -1 0 391.811 3.445 20 5 GGBDRM Cc1nc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c2ccc(Cl)cc2)no1 ZINC000182179603 1430425379 /nfs/dbraw/zinc/42/53/79/1430425379.db2.gz WYNPMTHFDIGUAO-HNNXBMFYSA-N -1 0 388.767 3.165 20 5 GGBDRM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182191245 1430427457 /nfs/dbraw/zinc/42/74/57/1430427457.db2.gz MYJVMVVTTVVFKQ-QMMMGPOBSA-N -1 0 386.330 3.167 20 5 GGBDRM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000182939991 1430576648 /nfs/dbraw/zinc/57/66/48/1430576648.db2.gz WNDKZNBMXFENCZ-UHFFFAOYSA-N -1 0 394.331 3.095 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000183129283 1430622662 /nfs/dbraw/zinc/62/26/62/1430622662.db2.gz BZBAIFHORAJPRG-UHFFFAOYSA-N -1 0 377.353 3.092 20 5 GGBDRM O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)ccc2c1 ZINC000183132527 1430624200 /nfs/dbraw/zinc/62/42/00/1430624200.db2.gz GAQATCOKILNYKG-UHFFFAOYSA-N -1 0 383.307 3.361 20 5 GGBDRM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000183297994 1430672542 /nfs/dbraw/zinc/67/25/42/1430672542.db2.gz RNXDJBTZVLXFIB-QMMMGPOBSA-N -1 0 386.330 3.167 20 5 GGBDRM Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000183365149 1430690415 /nfs/dbraw/zinc/69/04/15/1430690415.db2.gz YRTMXAVEFCIULY-SNVBAGLBSA-N -1 0 377.784 3.019 20 5 GGBDRM O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184618476 1430920965 /nfs/dbraw/zinc/92/09/65/1430920965.db2.gz PWQAQUNQQONBHN-UHFFFAOYSA-N -1 0 377.784 3.043 20 5 GGBDRM C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000184670284 1430937089 /nfs/dbraw/zinc/93/70/89/1430937089.db2.gz MEVLLWMMCNGBIH-OKILXGFUSA-N -1 0 385.420 3.162 20 5 GGBDRM C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C)O1 ZINC000184670322 1430937487 /nfs/dbraw/zinc/93/74/87/1430937487.db2.gz MEVLLWMMCNGBIH-ZIAGYGMSSA-N -1 0 385.420 3.162 20 5 GGBDRM CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1Cl ZINC000184689285 1430943148 /nfs/dbraw/zinc/94/31/48/1430943148.db2.gz NWARTHDUOISKBX-UHFFFAOYSA-N -1 0 377.784 3.346 20 5 GGBDRM O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184742523 1430961233 /nfs/dbraw/zinc/96/12/33/1430961233.db2.gz PYZFGAQMQCNPBX-UHFFFAOYSA-N -1 0 384.417 3.182 20 5 GGBDRM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184806646 1430983696 /nfs/dbraw/zinc/98/36/96/1430983696.db2.gz DCXBUJZUCAAQMT-ZDUSSCGKSA-N -1 0 375.356 3.283 20 5 GGBDRM COc1c(F)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1F ZINC000184817961 1430988417 /nfs/dbraw/zinc/98/84/17/1430988417.db2.gz MATRWXSUZFKHHY-UHFFFAOYSA-N -1 0 395.343 3.231 20 5 GGBDRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000184868707 1431007706 /nfs/dbraw/zinc/00/77/06/1431007706.db2.gz AVCRUNIIZQKWFS-UHFFFAOYSA-N -1 0 389.437 3.186 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(C)c1F ZINC000184964103 1431032039 /nfs/dbraw/zinc/03/20/39/1431032039.db2.gz ZUKPWAILUXTKOW-UHFFFAOYSA-N -1 0 391.380 3.400 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1cccc(F)c1 ZINC000185137963 1431070540 /nfs/dbraw/zinc/07/05/40/1431070540.db2.gz RCOMBWKZMULKPV-UHFFFAOYSA-N -1 0 376.369 3.029 20 5 GGBDRM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185558749 1431170322 /nfs/dbraw/zinc/17/03/22/1431170322.db2.gz KKZYCNTXPLVTLQ-UHFFFAOYSA-N -1 0 382.775 3.382 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c2ncccc12 ZINC000185608598 1431183158 /nfs/dbraw/zinc/18/31/58/1431183158.db2.gz MSRMCLBVOUVSFS-UHFFFAOYSA-N -1 0 390.446 3.279 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c2ncccc12 ZINC000185623489 1431187057 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/nfs/dbraw/zinc/12/89/52/1442128952.db2.gz NNSPZJGTKDNQSZ-UHFFFAOYSA-N -1 0 395.297 3.381 20 5 GGBDRM Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)CO1 ZINC000822351116 1442212693 /nfs/dbraw/zinc/21/26/93/1442212693.db2.gz KQGNJTHEBUOQEX-ACJLOTCBSA-N -1 0 380.408 3.050 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)c(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826497396 1442287230 /nfs/dbraw/zinc/28/72/30/1442287230.db2.gz FZLYXVPJESFBRN-CYBMUJFWSA-N -1 0 396.190 3.194 20 5 GGBDRM Cc1nccn1-c1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822477506 1442364178 /nfs/dbraw/zinc/36/41/78/1442364178.db2.gz MESQYFGKYMEPGM-LBPRGKRZSA-N -1 0 390.407 3.442 20 5 GGBDRM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cncc2ccccc21 ZINC000826450816 1442374768 /nfs/dbraw/zinc/37/47/68/1442374768.db2.gz FFJHDAKDHWPMJM-UHFFFAOYSA-N -1 0 395.766 3.229 20 5 GGBDRM O=[N+]([O-])c1cccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)c1 ZINC000738366068 1443094838 /nfs/dbraw/zinc/09/48/38/1443094838.db2.gz 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O=[N+]([O-])c1cnc(NCCCO[C@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738373391 1443447449 /nfs/dbraw/zinc/44/74/49/1443447449.db2.gz BQVWLUHWGBRONN-KRWDZBQOSA-N -1 0 395.423 3.066 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737116851 1443460163 /nfs/dbraw/zinc/46/01/63/1443460163.db2.gz SCDKRQQKSJTVEV-UHFFFAOYSA-N -1 0 375.385 3.356 20 5 GGBDRM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1OC(F)F ZINC000823640115 1443490653 /nfs/dbraw/zinc/49/06/53/1443490653.db2.gz TVPJBYIRZJKNGP-UHFFFAOYSA-N -1 0 380.286 3.128 20 5 GGBDRM O=[N+]([O-])c1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000826499156 1443562217 /nfs/dbraw/zinc/56/22/17/1443562217.db2.gz XTOJWQJKUONNLY-UHFFFAOYSA-N -1 0 387.425 3.034 20 5 GGBDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826277663 1443576925 /nfs/dbraw/zinc/57/69/25/1443576925.db2.gz CGZYZPBVRGHQGW-UHFFFAOYSA-N -1 0 393.407 3.280 20 5 GGBDRM Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826287190 1443604850 /nfs/dbraw/zinc/60/48/50/1443604850.db2.gz GQKNDLKOLPPHCX-UHFFFAOYSA-N -1 0 386.799 3.308 20 5 GGBDRM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(F)cc1F ZINC000826260326 1443645187 /nfs/dbraw/zinc/64/51/87/1443645187.db2.gz ITDDTBVTBDWULK-UHFFFAOYSA-N -1 0 394.725 3.267 20 5 GGBDRM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822505698 1443708818 /nfs/dbraw/zinc/70/88/18/1443708818.db2.gz RMSWPXWWAARXFX-UHFFFAOYSA-N -1 0 396.798 3.044 20 5 GGBDRM COc1cc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826179179 1443715328 /nfs/dbraw/zinc/71/53/28/1443715328.db2.gz CMVCVZOWEFYXDW-UHFFFAOYSA-N -1 0 392.419 3.073 20 5 GGBDRM CC[C@@H](C)Oc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820875691 1443730378 /nfs/dbraw/zinc/73/03/78/1443730378.db2.gz CMQCHHHYWMHWRF-GFCCVEGCSA-N -1 0 383.412 3.268 20 5 GGBDRM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC000824045419 1443754683 /nfs/dbraw/zinc/75/46/83/1443754683.db2.gz MNMCYWHWCGEYQS-QMMMGPOBSA-N -1 0 390.762 3.310 20 5 GGBDRM O=C(C=Cc1cccs1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403212 1443758786 /nfs/dbraw/zinc/75/87/86/1443758786.db2.gz MNRLLDCMRNTWRW-ARJAWSKDSA-N -1 0 376.785 3.142 20 5 GGBDRM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826483284 1443775703 /nfs/dbraw/zinc/77/57/03/1443775703.db2.gz IADZWPBBUXKYNP-OQFOIZHKSA-N -1 0 386.730 3.060 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2cccc3ccccc32)C1 ZINC000826496746 1443777781 /nfs/dbraw/zinc/77/77/81/1443777781.db2.gz HTYRMKISHXOWBC-UHFFFAOYSA-N -1 0 385.387 3.227 20 5 GGBDRM O=[N+]([O-])c1cccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)c1 ZINC000738367287 1443800242 /nfs/dbraw/zinc/80/02/42/1443800242.db2.gz PLYZUJYBFKUXSJ-UHFFFAOYSA-N -1 0 399.367 3.256 20 5 GGBDRM COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826215768 1443813634 /nfs/dbraw/zinc/81/36/34/1443813634.db2.gz YNLCMIXSEFCDEA-PXAZEXFGSA-N -1 0 380.408 3.371 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826497456 1443829511 /nfs/dbraw/zinc/82/95/11/1443829511.db2.gz HTQUPOHXCPJZHG-GUYCJALGSA-N -1 0 380.408 3.355 20 5 GGBDRM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2-c2nn[n-]n2)C1 ZINC000736278614 1443865718 /nfs/dbraw/zinc/86/57/18/1443865718.db2.gz IBLXTOLBKSRYSE-JTQLQIEISA-N -1 0 398.448 3.142 20 5 GGBDRM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826465395 1443892144 /nfs/dbraw/zinc/89/21/44/1443892144.db2.gz LOMNQUGDNLCRSG-UHFFFAOYSA-N -1 0 394.174 3.439 20 5 GGBDRM CCOc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000821422342 1443904357 /nfs/dbraw/zinc/90/43/57/1443904357.db2.gz UVOPQHRTYVYSCH-UHFFFAOYSA-N -1 0 391.391 3.334 20 5 GGBDRM CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153496 1443908659 /nfs/dbraw/zinc/90/86/59/1443908659.db2.gz DIGSTBAKLKPASD-AWEZNQCLSA-N -1 0 394.435 3.317 20 5 GGBDRM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820921006 1443930574 /nfs/dbraw/zinc/93/05/74/1443930574.db2.gz UTLUDFMZLBIRGA-AWEZNQCLSA-N -1 0 385.359 3.187 20 5 GGBDRM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000823303521 1443939959 /nfs/dbraw/zinc/93/99/59/1443939959.db2.gz LHBOOBJPDTVWEJ-UHFFFAOYSA-N -1 0 378.270 3.046 20 5 GGBDRM CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230545 1443945839 /nfs/dbraw/zinc/94/58/39/1443945839.db2.gz NADAFGMLJACLJW-LBPRGKRZSA-N -1 0 393.407 3.499 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823620011 1443970413 /nfs/dbraw/zinc/97/04/13/1443970413.db2.gz GHXUPSXYHIEYKT-JQWIXIFHSA-N -1 0 391.313 3.157 20 5 GGBDRM CSc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826230774 1443979755 /nfs/dbraw/zinc/97/97/55/1443979755.db2.gz JQHMEOPQQAGTLW-UHFFFAOYSA-N -1 0 385.405 3.162 20 5 GGBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cc2ccccc2o1 ZINC000826451227 1443983988 /nfs/dbraw/zinc/98/39/88/1443983988.db2.gz WMZBNEMOYLNNHV-UHFFFAOYSA-N -1 0 384.739 3.427 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825674047 1444037507 /nfs/dbraw/zinc/03/75/07/1444037507.db2.gz GSZRFTLPFYVPRG-LLVKDONJSA-N -1 0 398.448 3.378 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819959043 1446086213 /nfs/dbraw/zinc/08/62/13/1446086213.db2.gz WCNSMIYOFLNCMJ-UHFFFAOYSA-N -1 0 384.371 3.464 20 5 GGBDRM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000824505736 1446090993 /nfs/dbraw/zinc/09/09/93/1446090993.db2.gz HSGRIVGEYOOMAG-LLVKDONJSA-N -1 0 398.427 3.214 20 5 GGBDRM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@H](C)[C@H]3C)c2)[C@@H]1C ZINC000820728835 1446162143 /nfs/dbraw/zinc/16/21/43/1446162143.db2.gz ZDBFGEKMFQHTGN-XJFOESAGSA-N -1 0 385.472 3.244 20 5 GGBDRM 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394.435 3.243 20 5 GGBDRM O=C(Cc1ccccc1Cl)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423728 1449629960 /nfs/dbraw/zinc/62/99/60/1449629960.db2.gz CYXUZOTUINUNIO-UHFFFAOYSA-N -1 0 393.190 3.263 20 5 GGBDRM CC(C)C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824244060 1449645710 /nfs/dbraw/zinc/64/57/10/1449645710.db2.gz QEKKUKRXGVUNFH-GXTWGEPZSA-N -1 0 397.439 3.329 20 5 GGBDRM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(O)c1 ZINC000820449946 1449738749 /nfs/dbraw/zinc/73/87/49/1449738749.db2.gz FAECKMFDSITOIO-SNVBAGLBSA-N -1 0 377.364 3.202 20 5 GGBDRM Cc1cccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c1[N+](=O)[O-] ZINC000826300040 1449747727 /nfs/dbraw/zinc/74/77/27/1449747727.db2.gz FMCJANZFNZKVHO-UHFFFAOYSA-N -1 0 390.197 3.425 20 5 GGBDRM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736194187 1449749297 /nfs/dbraw/zinc/74/92/97/1449749297.db2.gz XKEKBVXPYBEYAF-SECBINFHSA-N -1 0 388.384 3.033 20 5 GGBDRM 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O=[N+]([O-])c1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c2ccncc21 ZINC000738368934 1450045547 /nfs/dbraw/zinc/04/55/47/1450045547.db2.gz FVPHIDHIYGZDMC-UHFFFAOYSA-N -1 0 387.403 3.492 20 5 GGBDRM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824505866 1450127410 /nfs/dbraw/zinc/12/74/10/1450127410.db2.gz IOIAMBQYHYXJFO-VIFPVBQESA-N -1 0 387.787 3.311 20 5 GGBDRM O=[N+]([O-])c1ccc(CNc2ccn(-c3ccc(-c4nnn[n-]4)cc3Cl)n2)cc1 ZINC000826498541 1450135556 /nfs/dbraw/zinc/13/55/56/1450135556.db2.gz ZWJXPEDDTVCGKW-UHFFFAOYSA-N -1 0 396.798 3.226 20 5 GGBDRM CN(Cc1ccccc1[N+](=O)[O-])c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736828231 1450215794 /nfs/dbraw/zinc/21/57/94/1450215794.db2.gz JKVPOBOHPRHEHE-UHFFFAOYSA-N -1 0 397.345 3.238 20 5 GGBDRM CCS[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821456948 1450234732 /nfs/dbraw/zinc/23/47/32/1450234732.db2.gz SZGKNSKDIUIENC-CABCVRRESA-N -1 0 385.453 3.409 20 5 GGBDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737802003 1450256195 /nfs/dbraw/zinc/25/61/95/1450256195.db2.gz OGIACKOIKJGFNR-VURMDHGXSA-N -1 0 385.767 3.185 20 5 GGBDRM O=C(c1ccc(-c2nn[n-]n2)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000738255561 1450258489 /nfs/dbraw/zinc/25/84/89/1450258489.db2.gz VIKUZEPMWYPEFD-UHFFFAOYSA-N -1 0 378.392 3.364 20 5 GGBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cc(F)cc(Cl)c1 ZINC000826451050 1450314365 /nfs/dbraw/zinc/31/43/65/1450314365.db2.gz NRAQPPSPIVFTGZ-UHFFFAOYSA-N -1 0 397.153 3.473 20 5 GGBDRM Cc1ccc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1F ZINC000826289198 1450341727 /nfs/dbraw/zinc/34/17/27/1450341727.db2.gz OXZNMSMIPKQXLC-UHFFFAOYSA-N -1 0 394.725 3.267 20 5 GGBDRM CCN(C(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367180 1450348797 /nfs/dbraw/zinc/34/87/97/1450348797.db2.gz KKABYWWFQJSXPE-OUKQBFOZSA-N -1 0 378.392 3.231 20 5 GGBDRM CCCN1C(=O)CCc2cc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc21 ZINC000825328819 1450444746 /nfs/dbraw/zinc/44/47/46/1450444746.db2.gz XLYQGJLLOOLHFZ-UHFFFAOYSA-N -1 0 393.407 3.208 20 5 GGBDRM O=C([O-])[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 ZINC000191469451 939036857 /nfs/dbraw/zinc/03/68/57/939036857.db2.gz CCHVLFPQNUWGCQ-QGZVFWFLSA-N -1 0 390.355 3.180 20 5 GGBDRM CC1CCN(c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000236669568 939044306 /nfs/dbraw/zinc/04/43/06/939044306.db2.gz BCJSHKNYNVKDIH-UHFFFAOYSA-N -1 0 389.452 3.348 20 5 GGBDRM O=C([O-])C1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCCCC1 ZINC000237973972 939052889 /nfs/dbraw/zinc/05/28/89/939052889.db2.gz OBHQWOYJJRWOPU-UHFFFAOYSA-N -1 0 375.425 3.102 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000238026575 939055352 /nfs/dbraw/zinc/05/53/52/939055352.db2.gz NIHATEPKUYRVCA-HNNXBMFYSA-N -1 0 383.385 3.274 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000238026534 939055387 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VTRCWJVAQXISJA-UHFFFAOYSA-N -1 0 384.388 3.078 20 5 GGBDRM CC(C)(C)CC[C@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001602861769 971725058 /nfs/dbraw/zinc/72/50/58/971725058.db2.gz LPRZJOHGEIKPJF-ZETCQYMHSA-N -1 0 393.259 3.428 20 5 GGBDRM CC(C)(C)CC[C@@H](NC(=O)c1sc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC001602861768 971725067 /nfs/dbraw/zinc/72/50/67/971725067.db2.gz LPRZJOHGEIKPJF-SSDOTTSWSA-N -1 0 393.259 3.428 20 5 GGBDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CO1 ZINC001595007651 951224073 /nfs/dbraw/zinc/22/40/73/951224073.db2.gz XLWBYSVUKAISNZ-QKCSRTOESA-N -1 0 391.298 3.011 20 5 GGBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001595010948 951240441 /nfs/dbraw/zinc/24/04/41/951240441.db2.gz CHEXBDBVPAXUDH-INIZCTEOSA-N -1 0 377.441 3.346 20 5 GGBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001602867644 971732938 /nfs/dbraw/zinc/73/29/38/971732938.db2.gz MTVUMDXRKJMDGT-UHFFFAOYSA-N -1 0 392.330 3.109 20 5 GGBDRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001595024821 951334965 /nfs/dbraw/zinc/33/49/65/951334965.db2.gz NGGNIGJUNLBGOG-GFCCVEGCSA-N -1 0 394.387 3.155 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001592816004 951368921 /nfs/dbraw/zinc/36/89/21/951368921.db2.gz PAEZBCJDCQGFDX-HNNXBMFYSA-N -1 0 385.376 3.209 20 5 GGBDRM O=C([O-])CCc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC001595064160 951534626 /nfs/dbraw/zinc/53/46/26/951534626.db2.gz DSSXLZAABIMABU-UHFFFAOYSA-N -1 0 386.360 3.026 20 5 GGBDRM O=C([O-])CCc1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC001595064362 951537088 /nfs/dbraw/zinc/53/70/88/951537088.db2.gz RVIAXQBFSZBIQS-UHFFFAOYSA-N -1 0 398.350 3.189 20 5 GGBDRM O=C([O-])COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC001595119554 951966852 /nfs/dbraw/zinc/96/68/52/951966852.db2.gz YNJXOENJGCXULI-UHFFFAOYSA-N -1 0 395.165 3.073 20 5 GGBDRM O=C([O-])Cn1cc(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cn1 ZINC001595147419 952119827 /nfs/dbraw/zinc/11/98/27/952119827.db2.gz AWMIHMIAQFFQPL-UHFFFAOYSA-N -1 0 376.756 3.401 20 5 GGBDRM O=C([O-])c1c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)sc2c1CCOC2 ZINC001595205481 952323544 /nfs/dbraw/zinc/32/35/44/952323544.db2.gz KNDJQSXRYCDGRU-QWHCGFSZSA-N -1 0 388.401 3.169 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1[N+](=O)[O-] ZINC001602923004 971883246 /nfs/dbraw/zinc/88/32/46/971883246.db2.gz MPWWOJYGACTQIT-UHFFFAOYSA-N -1 0 382.376 3.491 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1[N+](=O)[O-] ZINC001602923178 971885154 /nfs/dbraw/zinc/88/51/54/971885154.db2.gz TXFGZMPPTMCLHT-DMAKZNTKSA-N -1 0 390.436 3.035 20 5 GGBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC001589271511 953409745 /nfs/dbraw/zinc/40/97/45/953409745.db2.gz CHVWANAFXDLEFU-BQBZGAKWSA-N -1 0 379.171 3.224 20 5 GGBDRM CC(C)(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001602952003 971928255 /nfs/dbraw/zinc/92/82/55/971928255.db2.gz FOCKAWTYBIBVIZ-ZBFHGGJFSA-N -1 0 383.404 3.442 20 5 GGBDRM CC(C)(NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001602952000 971928486 /nfs/dbraw/zinc/92/84/86/971928486.db2.gz FOCKAWTYBIBVIZ-GDBMZVCRSA-N -1 0 383.404 3.442 20 5 GGBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001589273467 953436139 /nfs/dbraw/zinc/43/61/39/953436139.db2.gz XRXSSGWKSFSWGP-GOEBONIOSA-N -1 0 398.415 3.357 20 5 GGBDRM CC[C@H](C)[C@H](NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C(=O)[O-] ZINC001593609538 953453723 /nfs/dbraw/zinc/45/37/23/953453723.db2.gz FGOQZHQPTKYSOB-QILRFPOHSA-N -1 0 395.309 3.136 20 5 GGBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C1 ZINC001589274861 953456943 /nfs/dbraw/zinc/45/69/43/953456943.db2.gz LZZGYTNPPLDLOL-HOCLYGCPSA-N -1 0 397.431 3.390 20 5 GGBDRM CC[C@H](C)[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C(=O)[O-] ZINC001593609856 953458956 /nfs/dbraw/zinc/45/89/56/953458956.db2.gz MBZYIEMUTSRLGS-MADCSZMMSA-N -1 0 388.218 3.287 20 5 GGBDRM O=C([O-])c1c(F)ccc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001594758953 953497005 /nfs/dbraw/zinc/49/70/05/953497005.db2.gz RQYSTLCISZNJFT-UHFFFAOYSA-N -1 0 396.762 3.319 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1SC ZINC000449132466 953510534 /nfs/dbraw/zinc/51/05/34/953510534.db2.gz ASOSMVMTSCINSP-NSHDSACASA-N -1 0 384.454 3.335 20 5 GGBDRM O=C([O-])c1ccc(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])cc1 ZINC000485518135 953529483 /nfs/dbraw/zinc/52/94/83/953529483.db2.gz TWHGHACGIRFZOH-UHFFFAOYSA-N -1 0 398.293 3.164 20 5 GGBDRM CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCC(=O)[O-] ZINC000513696396 953535975 /nfs/dbraw/zinc/53/59/75/953535975.db2.gz YCFLGYIRRBFJDP-UHFFFAOYSA-N -1 0 392.389 3.303 20 5 GGBDRM O=C([O-])C1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCC1 ZINC000532008503 953561779 /nfs/dbraw/zinc/56/17/79/953561779.db2.gz FEKLDAJQSKDUSF-UHFFFAOYSA-N -1 0 383.404 3.192 20 5 GGBDRM C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000563141398 953595280 /nfs/dbraw/zinc/59/52/80/953595280.db2.gz JMAIHJCKPQKANC-WCBMZHEXSA-N -1 0 375.303 3.188 20 5 GGBDRM COc1cc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000567179327 953631198 /nfs/dbraw/zinc/63/11/98/953631198.db2.gz DEZNHOFQWJWMDS-KOMQPUFPSA-N -1 0 386.404 3.135 20 5 GGBDRM C[C@@](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)(C(=O)[O-])c1ccccc1 ZINC000593702382 953754801 /nfs/dbraw/zinc/75/48/01/953754801.db2.gz SCWUYFPYDDHREA-NRFANRHFSA-N -1 0 397.431 3.311 20 5 GGBDRM C[C@@](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000593702682 953754999 /nfs/dbraw/zinc/75/49/99/953754999.db2.gz WXTATPFFRFIZFX-NRFANRHFSA-N -1 0 399.447 3.259 20 5 GGBDRM CC(C)C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000593702955 953755113 /nfs/dbraw/zinc/75/51/13/953755113.db2.gz YKBSXTKDRBQFQB-JTQLQIEISA-N -1 0 376.331 3.480 20 5 GGBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000593921072 953756576 /nfs/dbraw/zinc/75/65/76/953756576.db2.gz CWLLXCONTDHMRT-SJORKVTESA-N -1 0 395.415 3.238 20 5 GGBDRM C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594464648 953763510 /nfs/dbraw/zinc/76/35/10/953763510.db2.gz XIARVEWDSSXLGR-KGYLQXTDSA-N -1 0 398.843 3.269 20 5 GGBDRM Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1[N+](=O)[O-] ZINC000594527749 953764441 /nfs/dbraw/zinc/76/44/41/953764441.db2.gz GDHURECTTMZZNU-MYZSUADSSA-N -1 0 377.441 3.399 20 5 GGBDRM C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594529907 953765112 /nfs/dbraw/zinc/76/51/12/953765112.db2.gz UVMXWUMYBDMILD-XOKHGSTOSA-N -1 0 391.468 3.352 20 5 GGBDRM CCN(C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000595278557 953771128 /nfs/dbraw/zinc/77/11/28/953771128.db2.gz ASEIMUOACHYJQC-HZSPNIEDSA-N -1 0 377.441 3.012 20 5 GGBDRM CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000595999850 953780030 /nfs/dbraw/zinc/78/00/30/953780030.db2.gz MMLAJXUPUWPVRJ-RYUDHWBXSA-N -1 0 386.832 3.269 20 5 GGBDRM O=C([O-])c1cc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1O ZINC001594806493 953783766 /nfs/dbraw/zinc/78/37/66/953783766.db2.gz DQLIOJBCYYWXGG-UHFFFAOYSA-N -1 0 385.357 3.374 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CC(=O)[O-])CC3CC3)cc2[N+](=O)[O-])C1 ZINC000611463414 953785856 /nfs/dbraw/zinc/78/58/56/953785856.db2.gz KMVNYYAUVPVAGG-ZIAGYGMSSA-N -1 0 389.452 3.014 20 5 GGBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000611526561 953786616 /nfs/dbraw/zinc/78/66/16/953786616.db2.gz UFOPWIBTGRMVFM-LBPRGKRZSA-N -1 0 375.406 3.188 20 5 GGBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001594806759 953787448 /nfs/dbraw/zinc/78/74/48/953787448.db2.gz NTMNSAIMKRPPLE-KGLIPLIRSA-N -1 0 398.371 3.253 20 5 GGBDRM CNc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000615172039 953789126 /nfs/dbraw/zinc/78/91/26/953789126.db2.gz DNEBZKUIHKFEHZ-UHFFFAOYSA-N -1 0 383.404 3.355 20 5 GGBDRM O=C([O-])c1c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])sc2c1COCC2 ZINC001594822235 953909938 /nfs/dbraw/zinc/90/99/38/953909938.db2.gz RAKZTKDOWXZUIQ-UHFFFAOYSA-N -1 0 382.781 3.333 20 5 GGBDRM CN(C(=O)C1(CC(=O)[O-])CCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001593676031 953926895 /nfs/dbraw/zinc/92/68/95/953926895.db2.gz ZVQJEWZMZNKHAF-UHFFFAOYSA-N -1 0 375.406 3.326 20 5 GGBDRM C[C@H]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@H]1C(=O)[O-] ZINC001589348158 954064681 /nfs/dbraw/zinc/06/46/81/954064681.db2.gz PIRLHIBGPQFZJA-POYBYMJQSA-N -1 0 379.171 3.224 20 5 GGBDRM O=C([O-])[C@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594844394 954121700 /nfs/dbraw/zinc/12/17/00/954121700.db2.gz ZMJIFSQMAQXYMM-CQSZACIVSA-N 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CC[C@H](C(=O)[O-])N(C)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001589433259 954664461 /nfs/dbraw/zinc/66/44/61/954664461.db2.gz BXERZDUHHCFODQ-SECBINFHSA-N -1 0 380.344 3.027 20 5 GGBDRM CNc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1[N+](=O)[O-] ZINC001593803258 954862850 /nfs/dbraw/zinc/86/28/50/954862850.db2.gz ONDQNGBVLRCNID-CYBMUJFWSA-N -1 0 383.404 3.320 20 5 GGBDRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001594966323 955060599 /nfs/dbraw/zinc/06/05/99/955060599.db2.gz ZMPNKWCRVJBZEO-SFHVURJKSA-N -1 0 388.807 3.391 20 5 GGBDRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)co1 ZINC001594967717 955073864 /nfs/dbraw/zinc/07/38/64/955073864.db2.gz FRAFSAHLBBVYPG-RQOWECAXSA-N -1 0 381.138 3.300 20 5 GGBDRM CC[C@@H](CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001589545727 955197873 /nfs/dbraw/zinc/19/78/73/955197873.db2.gz FBSFROHADIJJLZ-STQMWFEESA-N -1 0 386.408 3.004 20 5 GGBDRM 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CC(C)N(CC(=O)[O-])C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000236719617 960742446 /nfs/dbraw/zinc/74/24/46/960742446.db2.gz BUQRYVRIOGJGSB-ZIAGYGMSSA-N -1 0 377.441 3.012 20 5 GGBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000236761410 960754069 /nfs/dbraw/zinc/75/40/69/960754069.db2.gz VFWCIWJYSKJXJO-UHFFFAOYSA-N -1 0 377.422 3.291 20 5 GGBDRM CCN(CCC(=O)[O-])C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000236829910 960767238 /nfs/dbraw/zinc/76/72/38/960767238.db2.gz FXCCUFZMWZJBBX-OKILXGFUSA-N -1 0 377.441 3.014 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573809085 960866866 /nfs/dbraw/zinc/86/68/66/960866866.db2.gz JDUJJLLHYIEROM-LSTHTHJFSA-N -1 0 396.443 3.490 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573809084 960867688 /nfs/dbraw/zinc/86/76/88/960867688.db2.gz JDUJJLLHYIEROM-FFZOFVMBSA-N -1 0 396.443 3.490 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237524144 960952468 /nfs/dbraw/zinc/95/24/68/960952468.db2.gz GZLDJYDCNBIHPP-OKILXGFUSA-N -1 0 377.441 3.062 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@@H]3C)n1 ZINC001574344157 960956841 /nfs/dbraw/zinc/95/68/41/960956841.db2.gz DIHBZGGQIGLVQQ-RKDXNWHRSA-N -1 0 391.405 3.332 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237557662 960961154 /nfs/dbraw/zinc/96/11/54/960961154.db2.gz MMDIABTVQQDDMY-GJZGRUSLSA-N -1 0 391.468 3.452 20 5 GGBDRM Cc1ccc(-c2csc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)n2)cc1[N+](=O)[O-] ZINC001574348086 960973093 /nfs/dbraw/zinc/97/30/93/960973093.db2.gz QLHRIPFNRPSGAO-KRWDZBQOSA-N -1 0 375.406 3.466 20 5 GGBDRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237964562 961056962 /nfs/dbraw/zinc/05/69/62/961056962.db2.gz PQMSBQHWAQIUFB-HNNXBMFYSA-N -1 0 387.779 3.155 20 5 GGBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237974811 961060070 /nfs/dbraw/zinc/06/00/70/961060070.db2.gz BSCLOMYHENHPBL-LBPRGKRZSA-N -1 0 389.433 3.435 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000237984123 961065569 /nfs/dbraw/zinc/06/55/69/961065569.db2.gz NNHHRBNXRPPEFO-ZDUSSCGKSA-N -1 0 386.257 3.466 20 5 GGBDRM O=C([O-])CCCNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237985289 961065851 /nfs/dbraw/zinc/06/58/51/961065851.db2.gz QLXBJALUTOOBTH-UHFFFAOYSA-N -1 0 391.811 3.455 20 5 GGBDRM Cc1ccc(NCCCNC(=O)Nc2ccccc2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC001574374961 961086873 /nfs/dbraw/zinc/08/68/73/961086873.db2.gz FVWBQAOLTKWJHU-UHFFFAOYSA-N -1 0 386.408 3.154 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001574388105 961144605 /nfs/dbraw/zinc/14/46/05/961144605.db2.gz JGAFTBYYNCWDFF-MRXNPFEDSA-N -1 0 380.759 3.180 20 5 GGBDRM 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COc1ccc([C@H]2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)cc1F ZINC000600872384 975009420 /nfs/dbraw/zinc/00/94/20/975009420.db2.gz OGLDVJADZDWBME-LBPRGKRZSA-N -1 0 388.351 3.070 20 5 GGBDRM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000600876766 975010733 /nfs/dbraw/zinc/01/07/33/975010733.db2.gz OWRBXBOPJFQCAV-JCNLHEQBSA-N -1 0 378.425 3.397 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000600878553 975011880 /nfs/dbraw/zinc/01/18/80/975011880.db2.gz XVXCZRDCCUMKBN-INIZCTEOSA-N -1 0 389.452 3.206 20 5 GGBDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000604269250 975014229 /nfs/dbraw/zinc/01/42/29/975014229.db2.gz IJBGLVPHQCMSOO-OAHLLOKOSA-N -1 0 392.433 3.014 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1SC ZINC000611478459 975017915 /nfs/dbraw/zinc/01/79/15/975017915.db2.gz CSLOIMNMNZYNDX-NSHDSACASA-N -1 0 396.465 3.288 20 5 GGBDRM CCCC[C@H](NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000612429220 975018992 /nfs/dbraw/zinc/01/89/92/975018992.db2.gz ACVJOELKXSFXQA-LZWOXQAQSA-N -1 0 391.468 3.450 20 5 GGBDRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000617182514 975023890 /nfs/dbraw/zinc/02/38/90/975023890.db2.gz HNZQWRQAXXUIQJ-HNNXBMFYSA-N -1 0 392.433 3.096 20 5 GGBDRM CC(C)Oc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1[N+](=O)[O-] ZINC001591751313 975804408 /nfs/dbraw/zinc/80/44/08/975804408.db2.gz OQVDQTQEDYQGJO-GFCCVEGCSA-N -1 0 378.406 3.389 20 5 GGBDRM CC(C)Oc1c(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cccc1C(=O)[O-] ZINC001591752402 975814888 /nfs/dbraw/zinc/81/48/88/975814888.db2.gz ZLPLAJCLJFXIPQ-UHFFFAOYSA-N -1 0 399.403 3.081 20 5 GGBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001591771975 975902536 /nfs/dbraw/zinc/90/25/36/975902536.db2.gz UGXPYEHTUPXWOI-UHFFFAOYSA-N -1 0 388.332 3.061 20 5 GGBDRM CC(C)Oc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001591788532 975973976 /nfs/dbraw/zinc/97/39/76/975973976.db2.gz MUHROISQHGTDBX-UHFFFAOYSA-N -1 0 376.369 3.179 20 5 GGBDRM CC(C)Oc1nc(N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591810084 976037870 /nfs/dbraw/zinc/03/78/70/976037870.db2.gz QAXRIOIEKGYOHJ-OAHLLOKOSA-N -1 0 384.392 3.366 20 5 GGBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001591829117 976090778 /nfs/dbraw/zinc/09/07/78/976090778.db2.gz DKWRPFVQFRDMSE-OICBVUGWSA-N -1 0 378.450 3.324 20 5 GGBDRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001591941914 976464017 /nfs/dbraw/zinc/46/40/17/976464017.db2.gz JNBSXNOYDLIJKL-QGTPRVQTSA-N -1 0 390.436 3.203 20 5 GGBDRM CC(C)c1ccc(CCNC(=O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001591953331 976516914 /nfs/dbraw/zinc/51/69/14/976516914.db2.gz XNOAENUYNVJIGZ-UHFFFAOYSA-N -1 0 386.404 3.154 20 5 GGBDRM CC(C)c1ccccc1OC[C@H](O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591999126 976647943 /nfs/dbraw/zinc/64/79/43/976647943.db2.gz XZFYPFMJTFZHTQ-AWEZNQCLSA-N -1 0 375.377 3.235 20 5 GGBDRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592180320 977090555 /nfs/dbraw/zinc/09/05/55/977090555.db2.gz COFNKGTXTJWODN-AWEZNQCLSA-N -1 0 398.415 3.499 20 5 GGBDRM C[C@@H](C1CC1)N(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001592181413 977104194 /nfs/dbraw/zinc/10/41/94/977104194.db2.gz UEJMJNADABHFLD-LBPRGKRZSA-N -1 0 390.417 3.287 20 5 GGBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccnc1 ZINC001592304341 977663277 /nfs/dbraw/zinc/66/32/77/977663277.db2.gz PZHDZILRBYRJMC-INIZCTEOSA-N -1 0 397.309 3.129 20 5 GGBDRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccccn1 ZINC001592305167 977670349 /nfs/dbraw/zinc/67/03/49/977670349.db2.gz XVFFYPMISPCVHM-INIZCTEOSA-N -1 0 397.309 3.129 20 5 GGBDRM C[C@@](CC(=O)[O-])(NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1ccncc1 ZINC001592305339 977671965 /nfs/dbraw/zinc/67/19/65/977671965.db2.gz ZOJUUEXHRZCOJV-INIZCTEOSA-N -1 0 397.309 3.129 20 5 GGBDRM C[C@@](CC(=O)[O-])(NCc1c(Br)cccc1[N+](=O)[O-])c1cccnc1 ZINC001592317846 977700964 /nfs/dbraw/zinc/70/09/64/977700964.db2.gz MTSXPLBZOAVSEE-INIZCTEOSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@](CC(=O)[O-])(NCc1c(Br)cccc1[N+](=O)[O-])c1cccnc1 ZINC001592317849 977701229 /nfs/dbraw/zinc/70/12/29/977701229.db2.gz MTSXPLBZOAVSEE-MRXNPFEDSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@](CC(=O)[O-])(NCc1c(Br)cccc1[N+](=O)[O-])c1ccccn1 ZINC001592320329 977715828 /nfs/dbraw/zinc/71/58/28/977715828.db2.gz YOVOTSFJGFTZEO-MRXNPFEDSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@](CC(=O)[O-])(NCc1cc([N+](=O)[O-])ccc1Br)c1ccncc1 ZINC001592327464 977740537 /nfs/dbraw/zinc/74/05/37/977740537.db2.gz BFFOOCYCJLYLTR-MRXNPFEDSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@@](CC(=O)[O-])(NCc1cc([N+](=O)[O-])ccc1Br)c1ccncc1 ZINC001592327463 977741036 /nfs/dbraw/zinc/74/10/36/977741036.db2.gz BFFOOCYCJLYLTR-INIZCTEOSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@](CC(=O)[O-])(NCc1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC001592328295 977745908 /nfs/dbraw/zinc/74/59/08/977745908.db2.gz KOJXHXIEMRUYMM-MRXNPFEDSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001592454657 978166102 /nfs/dbraw/zinc/16/61/02/978166102.db2.gz YQXCLODVCTVEHD-NEPJUHHUSA-N -1 0 381.429 3.326 20 5 GGBDRM C[C@@H](CN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001592575106 978477011 /nfs/dbraw/zinc/47/70/11/978477011.db2.gz GLWRWGISBBCNPH-CRALRDPISA-N -1 0 379.413 3.360 20 5 GGBDRM Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)[O-])cccc1[N+](=O)[O-] ZINC000738299078 978513676 /nfs/dbraw/zinc/51/36/76/978513676.db2.gz FKVXYAXKBFVGGP-LLVKDONJSA-N -1 0 387.348 3.177 20 5 GGBDRM Cc1csc(Sc2ccc(C(=O)NC(C)(C)C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000738333795 978519011 /nfs/dbraw/zinc/51/90/11/978519011.db2.gz DOIDWVCQHQCXQZ-UHFFFAOYSA-N -1 0 381.435 3.104 20 5 GGBDRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592602208 978538898 /nfs/dbraw/zinc/53/88/98/978538898.db2.gz KPOZWPNPFSOTTO-LBPRGKRZSA-N -1 0 392.358 3.165 20 5 GGBDRM C[C@@H](CN(Cc1ccccc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)[O-] ZINC001592606130 978553751 /nfs/dbraw/zinc/55/37/51/978553751.db2.gz SQTAYVQJPWWHSI-ZDUSSCGKSA-N -1 0 381.388 3.439 20 5 GGBDRM O=C([O-])c1ccnc(N[C@@H]2C[C@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000738693252 978590666 /nfs/dbraw/zinc/59/06/66/978590666.db2.gz HPOOKQOVEMNYIH-NWDGAFQWSA-N -1 0 378.182 3.419 20 5 GGBDRM O=C([O-])c1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000738693356 978590771 /nfs/dbraw/zinc/59/07/71/978590771.db2.gz UNXDVAKTRVPJQL-UHFFFAOYSA-N -1 0 379.319 3.014 20 5 GGBDRM O=C([O-])c1ccnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000738693446 978590823 /nfs/dbraw/zinc/59/08/23/978590823.db2.gz VVGYWLXEJPCTDT-MRXNPFEDSA-N -1 0 391.811 3.291 20 5 GGBDRM O=C([O-])c1ccnc(NCCc2ccc(F)c(Br)c2)c1[N+](=O)[O-] ZINC000738693941 978590857 /nfs/dbraw/zinc/59/08/57/978590857.db2.gz SJLDERWIAAWOMX-UHFFFAOYSA-N -1 0 384.161 3.244 20 5 GGBDRM O=C([O-])c1ccnc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1[N+](=O)[O-] ZINC000738694414 978591640 /nfs/dbraw/zinc/59/16/40/978591640.db2.gz YOHDKXWCQWEQHT-LLVKDONJSA-N -1 0 376.344 3.162 20 5 GGBDRM O=C([O-])c1ccnc(NCc2cccc(OCc3ccccn3)c2)c1[N+](=O)[O-] ZINC000738694266 978591642 /nfs/dbraw/zinc/59/16/42/978591642.db2.gz WZCBKSVJRMVWSF-UHFFFAOYSA-N -1 0 380.360 3.274 20 5 GGBDRM O=C([O-])c1ccnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000738694580 978592388 /nfs/dbraw/zinc/59/23/88/978592388.db2.gz OXTAWNHAOGBVFQ-CYBMUJFWSA-N -1 0 381.747 3.058 20 5 GGBDRM O=C([O-])[C@H](Cc1ccccc1)OC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000738715950 978595187 /nfs/dbraw/zinc/59/51/87/978595187.db2.gz XYSNBQLJRZXGHV-AWEZNQCLSA-N -1 0 394.177 3.210 20 5 GGBDRM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000738715951 978595282 /nfs/dbraw/zinc/59/52/82/978595282.db2.gz XYSNBQLJRZXGHV-CQSZACIVSA-N -1 0 394.177 3.210 20 5 GGBDRM C[C@H](CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001592660700 978645505 /nfs/dbraw/zinc/64/55/05/978645505.db2.gz UMYLXWCYAXPOSK-KGLIPLIRSA-N -1 0 377.441 3.231 20 5 GGBDRM CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000753913369 978695169 /nfs/dbraw/zinc/69/51/69/978695169.db2.gz UKJCZGCBWUSXGL-INIZCTEOSA-N -1 0 377.441 3.204 20 5 GGBDRM CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C(=O)[O-] ZINC000753913372 978695180 /nfs/dbraw/zinc/69/51/80/978695180.db2.gz UKJCZGCBWUSXGL-MRXNPFEDSA-N -1 0 377.441 3.204 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000759111734 978705174 /nfs/dbraw/zinc/70/51/74/978705174.db2.gz TVAMQSUKFNXFCY-UHFFFAOYSA-N -1 0 388.760 3.195 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000769630316 978742533 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C[C@H](NC(=O)c1ccc(N[C@@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170202 994024738 /nfs/dbraw/zinc/02/47/38/994024738.db2.gz JKWQUJXHROCWQI-PZFKGIAWSA-N -1 0 381.404 3.126 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N[C@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170200 994025124 /nfs/dbraw/zinc/02/51/24/994025124.db2.gz JKWQUJXHROCWQI-IBQNZTRDSA-N -1 0 381.404 3.126 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170537 994027103 /nfs/dbraw/zinc/02/71/03/994027103.db2.gz NNAJYDMCDBZYAE-GXTWGEPZSA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1c(F)cccc1F ZINC001593171396 994030771 /nfs/dbraw/zinc/03/07/71/994030771.db2.gz UYQKZZFSKWBNCB-ZJUUUORDSA-N -1 0 393.346 3.249 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171181 994030818 /nfs/dbraw/zinc/03/08/18/994030818.db2.gz SJWWIUFHCDNHOK-VHSXEESVSA-N -1 0 393.346 3.249 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171729 994034554 /nfs/dbraw/zinc/03/45/54/994034554.db2.gz ZDISIPDAEVXCRK-YOEHRIQHSA-N -1 0 397.431 3.182 20 5 GGBDRM COc1ccc(SC)c(OC)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599618634 994050486 /nfs/dbraw/zinc/05/04/86/994050486.db2.gz WCCKKIMKIWWLJX-UHFFFAOYSA-N -1 0 392.389 3.284 20 5 GGBDRM C[C@@](NC(=O)c1cnc2c(F)cccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593184581 994090336 /nfs/dbraw/zinc/09/03/36/994090336.db2.gz IFUFOWGUUFBSCW-IBGZPJMESA-N -1 0 383.335 3.012 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001599621647 994091712 /nfs/dbraw/zinc/09/17/12/994091712.db2.gz ORCLWEQRECEGNP-CYBMUJFWSA-N -1 0 391.405 3.044 20 5 GGBDRM C[C@@](NC(=O)c1csc(-c2ccco2)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593184725 994092239 /nfs/dbraw/zinc/09/22/39/994092239.db2.gz MBUCCMSLZONEEW-KRWDZBQOSA-N -1 0 387.373 3.041 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001599621702 994092562 /nfs/dbraw/zinc/09/25/62/994092562.db2.gz RQFPTEKROJBQGO-CQSZACIVSA-N -1 0 398.293 3.335 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599621788 994093800 /nfs/dbraw/zinc/09/38/00/994093800.db2.gz BFUPOHXCIUKBJJ-HNNXBMFYSA-N -1 0 379.752 3.110 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001599622272 994100206 /nfs/dbraw/zinc/10/02/06/994100206.db2.gz VOBQCRBMEKKECY-UHFFFAOYSA-N -1 0 387.373 3.472 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001599622440 994102739 /nfs/dbraw/zinc/10/27/39/994102739.db2.gz NBDJNBWCLTWBBX-WFASDCNBSA-N -1 0 387.392 3.057 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001599622438 994102987 /nfs/dbraw/zinc/10/29/87/994102987.db2.gz NBDJNBWCLTWBBX-IUODEOHRSA-N -1 0 387.392 3.057 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001599622457 994103066 /nfs/dbraw/zinc/10/30/66/994103066.db2.gz NVJCZAAURFBPIF-JKSUJKDBSA-N -1 0 385.376 3.113 20 5 GGBDRM C[C@@](NC(=O)c1nc(Cl)sc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593189162 994110073 /nfs/dbraw/zinc/11/00/73/994110073.db2.gz OEKDPSMIFBNRHF-ZDUSSCGKSA-N -1 0 390.204 3.088 20 5 GGBDRM COc1ccc2c(c1)C=C(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)CO2 ZINC001599625057 994136249 /nfs/dbraw/zinc/13/62/49/994136249.db2.gz MMWBFQOGFSLHHP-UHFFFAOYSA-N -1 0 384.344 3.025 20 5 GGBDRM COc1ccc2c(c1)OCCN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001599629886 994201930 /nfs/dbraw/zinc/20/19/30/994201930.db2.gz HPLCSHLJAPWRKV-UHFFFAOYSA-N -1 0 378.768 3.354 20 5 GGBDRM COc1ccc2c(c1)OCCN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C2 ZINC001599630325 994207126 /nfs/dbraw/zinc/20/71/26/994207126.db2.gz OGYTZFPDOUADPA-UHFFFAOYSA-N -1 0 378.768 3.354 20 5 GGBDRM COc1ccc2c(c1)OCCN(c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])C2 ZINC001599630661 994212459 /nfs/dbraw/zinc/21/24/59/994212459.db2.gz RCWBYRNVEGXVPR-UHFFFAOYSA-N -1 0 378.768 3.354 20 5 GGBDRM CNC(=O)CC1(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCCCC1 ZINC001598637630 994266662 /nfs/dbraw/zinc/26/66/62/994266662.db2.gz LXJDUOJNONHVFA-UHFFFAOYSA-N -1 0 383.832 3.445 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(N3CC[C@](C(=O)[O-])(c4ccccc4)C3)c2c1 ZINC001599638158 994319086 /nfs/dbraw/zinc/31/90/86/994319086.db2.gz WSVSNDUFWXFFBO-OAQYLSRUSA-N -1 0 393.399 3.384 20 5 GGBDRM COc1cccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599641495 994366349 /nfs/dbraw/zinc/36/63/49/994366349.db2.gz PVEYVCWFDRXTPS-GOSISDBHSA-N -1 0 392.795 3.073 20 5 GGBDRM COc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1[N+](=O)[O-] ZINC001599642370 994377102 /nfs/dbraw/zinc/37/71/02/994377102.db2.gz ITYWSQGUIIXZLY-UHFFFAOYSA-N -1 0 396.355 3.472 20 5 GGBDRM COc1cccc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)c1[N+](=O)[O-] ZINC001599647126 994440409 /nfs/dbraw/zinc/44/04/09/994440409.db2.gz FSJHGHVSUFLDES-UHFFFAOYSA-N -1 0 384.344 3.321 20 5 GGBDRM CNC(=O)N(C)c1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001598651188 994445618 /nfs/dbraw/zinc/44/56/18/994445618.db2.gz CJOADQLTTUHXQE-UHFFFAOYSA-N -1 0 378.772 3.466 20 5 GGBDRM COc1cccc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)c1[N+](=O)[O-] ZINC001599647632 994448127 /nfs/dbraw/zinc/44/81/27/994448127.db2.gz LXLADPRYUHZDTM-UHFFFAOYSA-N -1 0 396.149 3.283 20 5 GGBDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001599649667 994476865 /nfs/dbraw/zinc/47/68/65/994476865.db2.gz RPHUIZVVSKBPBC-MRXNPFEDSA-N -1 0 392.795 3.463 20 5 GGBDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC001599650234 994486599 /nfs/dbraw/zinc/48/65/99/994486599.db2.gz VLKLSIDMEKROKA-INIZCTEOSA-N -1 0 390.417 3.223 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC001599653044 994535959 /nfs/dbraw/zinc/53/59/59/994535959.db2.gz GJMWWQAMKXIZSO-IBGZPJMESA-N -1 0 390.367 3.171 20 5 GGBDRM CNC(=O)c1cc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])ccc2[nH]1 ZINC001598656976 994537721 /nfs/dbraw/zinc/53/77/21/994537721.db2.gz PFIVSIHIIXLQQO-XVNBXDOJSA-N -1 0 380.360 3.277 20 5 GGBDRM CNC(=O)c1cc2cc(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])ccc2[nH]1 ZINC001598656975 994537970 /nfs/dbraw/zinc/53/79/70/994537970.db2.gz PFIVSIHIIXLQQO-CLTKARDFSA-N -1 0 380.360 3.277 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC001599653735 994544512 /nfs/dbraw/zinc/54/45/12/994544512.db2.gz NCIJWRTVINGIFW-FQEVSTJZSA-N -1 0 397.387 3.205 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001599654238 994552964 /nfs/dbraw/zinc/55/29/64/994552964.db2.gz UZWZRMKXSXJCSB-HXUWFJFHSA-N -1 0 397.387 3.205 20 5 GGBDRM COc1cccc(C(F)(F)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599658255 994615970 /nfs/dbraw/zinc/61/59/70/994615970.db2.gz SUMKUQZNBIGPPF-UHFFFAOYSA-N -1 0 380.303 3.341 20 5 GGBDRM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC001593288748 994659353 /nfs/dbraw/zinc/65/93/53/994659353.db2.gz NCOBHBBENUZCGO-SNVBAGLBSA-N -1 0 386.339 3.333 20 5 GGBDRM C[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)c1ncc(C(=O)[O-])s1 ZINC001593292332 994676296 /nfs/dbraw/zinc/67/62/96/994676296.db2.gz KKKAQMHUKOBFFL-SSDOTTSWSA-N -1 0 386.227 3.363 20 5 GGBDRM C[C@](NCc1nnc(-c2ccccc2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593315772 994807199 /nfs/dbraw/zinc/80/71/99/994807199.db2.gz BYILBCILRWPVBS-GOSISDBHSA-N -1 0 384.417 3.203 20 5 GGBDRM COc1cccc(CN2C(=O)N[C@H](c3ccc([N+](=O)[O-])cc3)C(C(=O)[O-])=C2C)c1 ZINC001599673368 994853231 /nfs/dbraw/zinc/85/32/31/994853231.db2.gz RFBCHCLSAWVQKX-GOSISDBHSA-N -1 0 397.387 3.229 20 5 GGBDRM C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC001593362415 995031726 /nfs/dbraw/zinc/03/17/26/995031726.db2.gz HAHVDJZILYLLOE-AZVKUDOFSA-N -1 0 393.197 3.418 20 5 GGBDRM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593374069 995071174 /nfs/dbraw/zinc/07/11/74/995071174.db2.gz NRQYRCLKSOQTRR-ZWNOBZJWSA-N -1 0 394.225 3.496 20 5 GGBDRM C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593374064 995071476 /nfs/dbraw/zinc/07/14/76/995071476.db2.gz NRQYRCLKSOQTRR-GWCFXTLKSA-N -1 0 394.225 3.496 20 5 GGBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(-c2cccs2)no1 ZINC001593556129 995639635 /nfs/dbraw/zinc/63/96/35/995639635.db2.gz ANACKEYFJJJSOS-MRVPVSSYSA-N -1 0 389.345 3.323 20 5 GGBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001593556283 995640953 /nfs/dbraw/zinc/64/09/53/995640953.db2.gz GFBXWXGOSSNREF-SECBINFHSA-N -1 0 392.751 3.130 20 5 GGBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001593556855 995647729 /nfs/dbraw/zinc/64/77/29/995647729.db2.gz ZFISOIFTMNXIOP-LBPRGKRZSA-N -1 0 381.344 3.397 20 5 GGBDRM C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001593562123 995650001 /nfs/dbraw/zinc/65/00/01/995650001.db2.gz FOHWLCUKELYORD-DRZSPHRISA-N -1 0 389.364 3.140 20 5 GGBDRM C[C@@H](OC(=O)c1cscc1C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001593598993 995744952 /nfs/dbraw/zinc/74/49/52/995744952.db2.gz AGPCQYQXPDWSNB-SSDOTTSWSA-N -1 0 398.780 3.192 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593619227 995860475 /nfs/dbraw/zinc/86/04/75/995860475.db2.gz BBJJWHVBXVBHPI-BBATYDOGSA-N -1 0 392.795 3.132 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593619226 995860510 /nfs/dbraw/zinc/86/05/10/995860510.db2.gz BBJJWHVBXVBHPI-ADLMAVQZSA-N -1 0 392.795 3.132 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001593619429 995861152 /nfs/dbraw/zinc/86/11/52/995861152.db2.gz DHZSPEZMQKONRJ-RISCZKNCSA-N -1 0 398.843 3.413 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001593619638 995862344 /nfs/dbraw/zinc/86/23/44/995862344.db2.gz IXYUCPHEBLIUJC-MFKMUULPSA-N -1 0 384.816 3.165 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001593619703 995862787 /nfs/dbraw/zinc/86/27/87/995862787.db2.gz LYEFTHDMJLNUIP-ISVAXAHUSA-N -1 0 384.797 3.019 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001593619969 995866152 /nfs/dbraw/zinc/86/61/52/995866152.db2.gz VBFJYDFKUZITGU-ZUZCIYMTSA-N -1 0 379.752 3.385 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F)C(=O)[O-] ZINC001593624229 995884833 /nfs/dbraw/zinc/88/48/33/995884833.db2.gz IGWLFQIWLFMYSC-GHMZBOCLSA-N -1 0 376.340 3.328 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F)C(=O)[O-] ZINC001593628086 995901718 /nfs/dbraw/zinc/90/17/18/995901718.db2.gz AJQZULMQFQPAJW-WDEREUQCSA-N -1 0 391.355 3.469 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F)C(=O)[O-] ZINC001593634657 995927440 /nfs/dbraw/zinc/92/74/40/995927440.db2.gz XLKORFPGKJXFEJ-MRVPVSSYSA-N -1 0 382.731 3.492 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593666807 996053219 /nfs/dbraw/zinc/05/32/19/996053219.db2.gz ACUSYJWTSUOWIN-GFCCVEGCSA-N -1 0 386.429 3.359 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001593666936 996054186 /nfs/dbraw/zinc/05/41/86/996054186.db2.gz GARVMMLYSQJWFU-VIFPVBQESA-N -1 0 395.824 3.138 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001593667087 996055651 /nfs/dbraw/zinc/05/56/51/996055651.db2.gz KEUDLTSTEPYUMQ-DZGCQCFKSA-N -1 0 388.445 3.278 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593667330 996057387 /nfs/dbraw/zinc/05/73/87/996057387.db2.gz NMJXQJXVADWNMY-BZNIZROVSA-N -1 0 392.408 3.199 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001593667718 996059259 /nfs/dbraw/zinc/05/92/59/996059259.db2.gz RQTYUASNZVSMEY-MEDUHNTESA-N -1 0 392.408 3.027 20 5 GGBDRM C[C@@H](Sc1ccccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001593668100 996061435 /nfs/dbraw/zinc/06/14/35/996061435.db2.gz LHRWDPDYGZNOKK-CYBMUJFWSA-N -1 0 388.445 3.475 20 5 GGBDRM C[C@@H](c1cccc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1)N1CCOCC1 ZINC001593702851 996177763 /nfs/dbraw/zinc/17/77/63/996177763.db2.gz FQTUUMJUNQPRBN-AWEZNQCLSA-N -1 0 385.420 3.298 20 5 GGBDRM C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001593709959 996207729 /nfs/dbraw/zinc/20/77/29/996207729.db2.gz GOISLCZXBXHXBN-GFCCVEGCSA-N -1 0 390.417 3.207 20 5 GGBDRM COC(=O)/C=C\c1ccc(NCc2ccc(Cl)c(C(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC001598835064 996476414 /nfs/dbraw/zinc/47/64/14/996476414.db2.gz UMAXMKRFBSFWGJ-CLTKARDFSA-N -1 0 391.767 3.140 20 5 GGBDRM 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ZINC000525386562 567245497 /nfs/dbraw/zinc/24/54/97/567245497.db2.gz WJTCSGGJGGVMPJ-PELKAZGASA-N -1 0 388.779 3.361 20 5 GGBDRM O=C(NC1(c2ccc(Br)cc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475599118 567260530 /nfs/dbraw/zinc/26/05/30/567260530.db2.gz ACRWWCIEKZAART-UHFFFAOYSA-N -1 0 377.194 3.482 20 5 GGBDRM Cc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000616960209 567271909 /nfs/dbraw/zinc/27/19/09/567271909.db2.gz PKYZQAKODZWLIC-UHFFFAOYSA-N -1 0 376.312 3.428 20 5 GGBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000475823465 567280106 /nfs/dbraw/zinc/28/01/06/567280106.db2.gz CMTLWQSUOHZWJX-UHFFFAOYSA-N -1 0 393.165 3.436 20 5 GGBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000475833480 567280717 /nfs/dbraw/zinc/28/07/17/567280717.db2.gz MWUBFIPGONHICF-UHFFFAOYSA-N -1 0 380.275 3.433 20 5 GGBDRM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000548123522 567281284 /nfs/dbraw/zinc/28/12/84/567281284.db2.gz 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Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1[N+](=O)[O-] ZINC000569979682 567449018 /nfs/dbraw/zinc/44/90/18/567449018.db2.gz YFXIYHCUPPMZEZ-UHFFFAOYSA-N -1 0 383.769 3.204 20 5 GGBDRM O=C(NCc1nc2cc(Br)ccc2o1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436747072 567450045 /nfs/dbraw/zinc/45/00/45/567450045.db2.gz JQXWVLMDWMWCEI-UHFFFAOYSA-N -1 0 392.165 3.134 20 5 GGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOc2c(Br)cccc2C1 ZINC000619419468 567450536 /nfs/dbraw/zinc/45/05/36/567450536.db2.gz QANPWKMTEPXHLJ-UHFFFAOYSA-N -1 0 393.193 3.098 20 5 GGBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOc2c(Br)cccc2C1 ZINC000619431629 567453153 /nfs/dbraw/zinc/45/31/53/567453153.db2.gz KHOGUHNPYPHMDQ-UHFFFAOYSA-N -1 0 379.210 3.458 20 5 GGBDRM COc1cc(OC)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC000436814385 567454825 /nfs/dbraw/zinc/45/48/25/567454825.db2.gz KTIARPXDBJACFH-UHFFFAOYSA-N -1 0 397.181 3.332 20 5 GGBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000619468118 567455471 /nfs/dbraw/zinc/45/54/71/567455471.db2.gz YGVJZIYNMFRNCK-UHFFFAOYSA-N -1 0 393.204 3.417 20 5 GGBDRM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1Cl ZINC000619466577 567456383 /nfs/dbraw/zinc/45/63/83/567456383.db2.gz BEXIBOICRGDPRY-UHFFFAOYSA-N -1 0 386.813 3.456 20 5 GGBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000619506858 567460540 /nfs/dbraw/zinc/46/05/40/567460540.db2.gz XLYXJKDMMPQCCX-UHFFFAOYSA-N -1 0 383.451 3.130 20 5 GGBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000619507378 567460764 /nfs/dbraw/zinc/46/07/64/567460764.db2.gz KHIQDGBKNDAOOU-UHFFFAOYSA-N -1 0 392.220 3.414 20 5 GGBDRM COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc(OC)c1Br ZINC000436890195 567465268 /nfs/dbraw/zinc/46/52/68/567465268.db2.gz SDRQSQYMTQSBMU-UHFFFAOYSA-N -1 0 397.181 3.332 20 5 GGBDRM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436912000 567465289 /nfs/dbraw/zinc/46/52/89/567465289.db2.gz VHXKXHFYPGYHLB-NXEZZACHSA-N -1 0 383.223 3.410 20 5 GGBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2c(Br)ccc(F)c2C1 ZINC000436928746 567466809 /nfs/dbraw/zinc/46/68/09/567466809.db2.gz WXWVLSRFSMWOOF-UHFFFAOYSA-N -1 0 395.184 3.401 20 5 GGBDRM COc1ccc(Br)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436943883 567468732 /nfs/dbraw/zinc/46/87/32/567468732.db2.gz NOMGSRDLYCEMBX-UHFFFAOYSA-N -1 0 395.209 3.344 20 5 GGBDRM COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1Br ZINC000436961694 567470439 /nfs/dbraw/zinc/47/04/39/567470439.db2.gz KGOXDSNJLSKIJL-UHFFFAOYSA-N -1 0 381.182 3.002 20 5 GGBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Oc1cccc(Br)c1 ZINC000436968738 567470862 /nfs/dbraw/zinc/47/08/62/567470862.db2.gz WTUOASJSCZJZQG-JTQLQIEISA-N -1 0 395.209 3.260 20 5 GGBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436980465 567472079 /nfs/dbraw/zinc/47/20/79/567472079.db2.gz NSBNJODKWPSQSC-UHFFFAOYSA-N -1 0 375.328 3.441 20 5 GGBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C)c(C(F)(F)F)s1 ZINC000619670771 567473157 /nfs/dbraw/zinc/47/31/57/567473157.db2.gz VHGNKLKEXIVGPG-UHFFFAOYSA-N -1 0 397.356 3.188 20 5 GGBDRM COc1cc(/C=C/c2nc(N(C)C)ncc2Br)cc([N+](=O)[O-])c1[O-] ZINC000619864622 567484786 /nfs/dbraw/zinc/48/47/86/567484786.db2.gz MLROKSGLXNNIPP-SNAWJCMRSA-N -1 0 395.213 3.098 20 5 GGBDRM CCN(CC)Cc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000594582021 567488312 /nfs/dbraw/zinc/48/83/12/567488312.db2.gz AXHWRUIVWJVXIG-UHFFFAOYSA-N -1 0 384.483 3.002 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437334236 567493352 /nfs/dbraw/zinc/49/33/52/567493352.db2.gz UUGFJNFTTYWBMI-VHSXEESVSA-N -1 0 384.351 3.381 20 5 GGBDRM CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000594674148 567493351 /nfs/dbraw/zinc/49/33/51/567493351.db2.gz IGPMQZPTQHUBKE-UHFFFAOYSA-N -1 0 399.252 3.023 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437334237 567494060 /nfs/dbraw/zinc/49/40/60/567494060.db2.gz UUGFJNFTTYWBMI-ZJUUUORDSA-N -1 0 384.351 3.381 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c1[N+](=O)[O-] ZINC000479113165 567504575 /nfs/dbraw/zinc/50/45/75/567504575.db2.gz CGKLQHPOQJOVCN-UHFFFAOYSA-N -1 0 380.407 3.124 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000570871773 567519004 /nfs/dbraw/zinc/51/90/04/567519004.db2.gz NCLHUZXNJMWZFV-UHFFFAOYSA-N -1 0 378.740 3.336 20 5 GGBDRM CC(C)(C)CC[C@@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000551589661 567521565 /nfs/dbraw/zinc/52/15/65/567521565.db2.gz AJIOJXFRKXLAKR-OAHLLOKOSA-N -1 0 392.861 3.196 20 5 GGBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc([N+](=O)[O-])c1 ZINC000438716843 567540180 /nfs/dbraw/zinc/54/01/80/567540180.db2.gz MKUVTIHQEJFTEM-UHFFFAOYSA-N -1 0 384.797 3.144 20 5 GGBDRM Cc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000438751932 567542244 /nfs/dbraw/zinc/54/22/44/567542244.db2.gz DTIZWOZDBXYKBR-UHFFFAOYSA-N -1 0 376.312 3.428 20 5 GGBDRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC000479523179 567542664 /nfs/dbraw/zinc/54/26/64/567542664.db2.gz BZAZVZGBQCSHFR-UHFFFAOYSA-N -1 0 383.129 3.447 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000438763754 567544091 /nfs/dbraw/zinc/54/40/91/567544091.db2.gz IBUMZTBUJVLCSL-UHFFFAOYSA-N -1 0 376.312 3.428 20 5 GGBDRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)c([N+](=O)[O-])n1 ZINC000479569800 567544518 /nfs/dbraw/zinc/54/45/18/567544518.db2.gz NAPQZGUNCGLUJY-UHFFFAOYSA-N -1 0 398.750 3.284 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1[N+](=O)[O-] ZINC000479619498 567549110 /nfs/dbraw/zinc/54/91/10/567549110.db2.gz NWQYCUMDQAUOBK-UHFFFAOYSA-N -1 0 378.435 3.464 20 5 GGBDRM CN(CCOc1ccc(Br)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505486742 567578725 /nfs/dbraw/zinc/57/87/25/567578725.db2.gz FMCPKNIRFNFHAP-UHFFFAOYSA-N -1 0 395.209 3.214 20 5 GGBDRM CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000480078468 567578917 /nfs/dbraw/zinc/57/89/17/567578917.db2.gz WKRABSPFCDHJLP-UHFFFAOYSA-N -1 0 384.435 3.251 20 5 GGBDRM CCSc1n[n-]c(=NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000480526476 567610172 /nfs/dbraw/zinc/61/01/72/567610172.db2.gz JWAYLEAFEBKVLV-UHFFFAOYSA-N -1 0 379.467 3.177 20 5 GGBDRM O=C(N[C@@H]1CCc2c1cccc2Br)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506212602 567615569 /nfs/dbraw/zinc/61/55/69/567615569.db2.gz ZUJXIMAAICLDJV-OAHLLOKOSA-N -1 0 377.194 3.480 20 5 GGBDRM CN(CCc1ccc(Br)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506337353 567622283 /nfs/dbraw/zinc/62/22/83/567622283.db2.gz JPMWOEGNFRPULL-UHFFFAOYSA-N -1 0 379.210 3.378 20 5 GGBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)Oc1cccc(Br)c1 ZINC000440330983 567624243 /nfs/dbraw/zinc/62/42/43/567624243.db2.gz WTHCMHGLMYMCCX-JTQLQIEISA-N -1 0 395.209 3.260 20 5 GGBDRM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480736891 567626021 /nfs/dbraw/zinc/62/60/21/567626021.db2.gz HVCWYGSENBBJGJ-UHFFFAOYSA-N -1 0 391.232 3.389 20 5 GGBDRM CSc1ccc(-c2nsc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])n2)cc1 ZINC000440462495 567629609 /nfs/dbraw/zinc/62/96/09/567629609.db2.gz COMBRYJQCPCFAG-UHFFFAOYSA-N -1 0 376.423 3.119 20 5 GGBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(Br)cn1 ZINC000480812319 567632267 /nfs/dbraw/zinc/63/22/67/567632267.db2.gz PMEANZYJIKZFMA-VIFPVBQESA-N -1 0 390.197 3.397 20 5 GGBDRM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Oc1cccc(Br)c1 ZINC000506719469 567639530 /nfs/dbraw/zinc/63/95/30/567639530.db2.gz RLJLOHCIHYMWEH-SNVBAGLBSA-N -1 0 395.209 3.260 20 5 GGBDRM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Oc1ccccc1Br ZINC000506774824 567643077 /nfs/dbraw/zinc/64/30/77/567643077.db2.gz HVFMSJVOZKFRGF-JTQLQIEISA-N -1 0 395.209 3.260 20 5 GGBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)CCc3cccc(Cl)c3)c2c1 ZINC000506850729 567646011 /nfs/dbraw/zinc/64/60/11/567646011.db2.gz IIWXYAYURMFYEE-UHFFFAOYSA-N -1 0 380.813 3.109 20 5 GGBDRM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507323167 567673443 /nfs/dbraw/zinc/67/34/43/567673443.db2.gz DJDJQQYVVRXJAT-JTQLQIEISA-N -1 0 379.210 3.424 20 5 GGBDRM O=C([O-])c1cc(C(=O)NCc2ccc(F)cc2Br)cc([N+](=O)[O-])c1 ZINC000507480229 567682593 /nfs/dbraw/zinc/68/25/93/567682593.db2.gz RHVYWMPZEHOWSV-UHFFFAOYSA-N -1 0 397.156 3.125 20 5 GGBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(F)c1F ZINC000442233823 567686536 /nfs/dbraw/zinc/68/65/36/567686536.db2.gz FUHCICOSVXJMAP-UHFFFAOYSA-N -1 0 378.740 3.341 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1 ZINC000442225192 567686882 /nfs/dbraw/zinc/68/68/82/567686882.db2.gz XDCUWGDBGIRYGP-UHFFFAOYSA-N -1 0 392.723 3.025 20 5 GGBDRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442351675 567691064 /nfs/dbraw/zinc/69/10/64/567691064.db2.gz JXMKBSYFCMAZEW-UHFFFAOYSA-N -1 0 379.419 3.322 20 5 GGBDRM COc1cccc(N=c2[n-]nc(Sc3nc(C)ccc3[N+](=O)[O-])s2)c1 ZINC000481695717 567697338 /nfs/dbraw/zinc/69/73/38/567697338.db2.gz TYTGMOPFECKPIZ-UHFFFAOYSA-N -1 0 375.435 3.475 20 5 GGBDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000508067423 567725168 /nfs/dbraw/zinc/72/51/68/567725168.db2.gz ILFMXIMPHCDNJY-UHFFFAOYSA-N -1 0 384.435 3.169 20 5 GGBDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000508071390 567725404 /nfs/dbraw/zinc/72/54/04/567725404.db2.gz AFOATMAJUAQIDF-UHFFFAOYSA-N -1 0 390.826 3.206 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc3c(s2)CSCC3)c1C ZINC000508093453 567729423 /nfs/dbraw/zinc/72/94/23/567729423.db2.gz HGNKKEAPXBUAGE-UHFFFAOYSA-N -1 0 385.492 3.258 20 5 GGBDRM Cc1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2nn1C ZINC000461339827 567729771 /nfs/dbraw/zinc/72/97/71/567729771.db2.gz GBOANNWPXASGMT-UHFFFAOYSA-N -1 0 380.813 3.244 20 5 GGBDRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc12 ZINC000461335202 567729856 /nfs/dbraw/zinc/72/98/56/567729856.db2.gz ZHWOSCCDTJUQIL-UHFFFAOYSA-N -1 0 380.813 3.244 20 5 GGBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(-c2ccccn2)s1 ZINC000508142793 567733235 /nfs/dbraw/zinc/73/32/35/567733235.db2.gz MKVZUXQRVSBQAW-UHFFFAOYSA-N -1 0 376.419 3.223 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(O)cc1 ZINC000443126283 567734244 /nfs/dbraw/zinc/73/42/44/567734244.db2.gz AIWRTDRJUYHHIO-UHFFFAOYSA-N -1 0 377.205 3.086 20 5 GGBDRM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443151562 567736033 /nfs/dbraw/zinc/73/60/33/567736033.db2.gz ATBHMBSAGVVBSZ-JQWIXIFHSA-N -1 0 383.253 3.138 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)c(Br)c1 ZINC000508208946 567736630 /nfs/dbraw/zinc/73/66/30/567736630.db2.gz XGNDLHAOMXGSAP-UHFFFAOYSA-N -1 0 398.194 3.299 20 5 GGBDRM CCc1ncc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)s1 ZINC000461434232 567737165 /nfs/dbraw/zinc/73/71/65/567737165.db2.gz ZVPUFJHFHWXDHU-UHFFFAOYSA-N -1 0 381.357 3.433 20 5 GGBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000508214999 567737852 /nfs/dbraw/zinc/73/78/52/567737852.db2.gz GUOVCVZIINODQL-UHFFFAOYSA-N -1 0 376.312 3.428 20 5 GGBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000508240884 567739166 /nfs/dbraw/zinc/73/91/66/567739166.db2.gz XJFXVGOJMHGXAG-UHFFFAOYSA-N -1 0 385.829 3.129 20 5 GGBDRM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000443352631 567750945 /nfs/dbraw/zinc/75/09/45/567750945.db2.gz DOKBZKDUZXHENN-GXTWGEPZSA-N -1 0 397.280 3.121 20 5 GGBDRM O=C([O-])Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000533195066 567759163 /nfs/dbraw/zinc/75/91/63/567759163.db2.gz VNAPONWAEGGGQA-UHFFFAOYSA-N -1 0 379.166 3.237 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000598661292 567782605 /nfs/dbraw/zinc/78/26/05/567782605.db2.gz IYIZRACUASKZTH-HNNXBMFYSA-N -1 0 399.241 3.050 20 5 GGBDRM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000534068198 567798831 /nfs/dbraw/zinc/79/88/31/567798831.db2.gz NSDPTRIMVKHCJR-VIFPVBQESA-N -1 0 381.182 3.469 20 5 GGBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)sc1C ZINC000534170274 567802407 /nfs/dbraw/zinc/80/24/07/567802407.db2.gz WPYCLMPIINOCOZ-UHFFFAOYSA-N -1 0 392.256 3.231 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1C ZINC000007325436 570829357 /nfs/dbraw/zinc/82/93/57/570829357.db2.gz YGUFBHCMIZLBSW-UHFFFAOYSA-N -1 0 389.433 3.139 20 5 GGBDRM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CCC1 ZINC000097102700 570894732 /nfs/dbraw/zinc/89/47/32/570894732.db2.gz IIBVSGGOIXWSMH-UHFFFAOYSA-N -1 0 376.369 3.254 20 5 GGBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000533196207 597098169 /nfs/dbraw/zinc/09/81/69/597098169.db2.gz YBHJJPFMNDZONL-LLVKDONJSA-N -1 0 375.406 3.045 20 5 GGBDRM CCOC(=O)c1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000737880425 597121137 /nfs/dbraw/zinc/12/11/37/597121137.db2.gz GANZDCYMRJWECV-UHFFFAOYSA-N -1 0 392.389 3.021 20 5 GGBDRM O=C([O-])C1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 ZINC000238052487 597333652 /nfs/dbraw/zinc/33/36/52/597333652.db2.gz NSGIIGKQFPGCLI-UHFFFAOYSA-N -1 0 378.428 3.058 20 5 GGBDRM O=C([O-])c1ccc(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000821545752 597453396 /nfs/dbraw/zinc/45/33/96/597453396.db2.gz OAMBQDDLMQQASM-MHZLTWQESA-N -1 0 386.385 3.397 20 5 GGBDRM C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000737716731 597495716 /nfs/dbraw/zinc/49/57/16/597495716.db2.gz JEGQSQFVHNBESX-SECBINFHSA-N -1 0 392.751 3.130 20 5 GGBDRM Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])n1 ZINC000261751731 597497986 /nfs/dbraw/zinc/49/79/86/597497986.db2.gz HGKOSZDWPAVDNX-NSHDSACASA-N -1 0 393.446 3.058 20 5 GGBDRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000262826832 598070732 /nfs/dbraw/zinc/07/07/32/598070732.db2.gz QPSOTVPUSAAKKE-CYBMUJFWSA-N -1 0 386.408 3.098 20 5 GGBDRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000820189977 598145044 /nfs/dbraw/zinc/14/50/44/598145044.db2.gz NMALQZVPYAKJFV-SECBINFHSA-N -1 0 392.751 3.130 20 5 GGBDRM Nc1ccc(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cc1[N+](=O)[O-] ZINC000739205710 599701961 /nfs/dbraw/zinc/70/19/61/599701961.db2.gz YAHNEFZWHASGFN-UHFFFAOYSA-N -1 0 398.400 3.175 20 5 GGBDRM C[C@H](NC(=O)c1ccc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655548 599706002 /nfs/dbraw/zinc/70/60/02/599706002.db2.gz FDMPNEYTRHOUJI-COPLHBTASA-N -1 0 387.392 3.126 20 5 GGBDRM Cc1ccccc1[C@@H]1CCN(c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000738768641 599706563 /nfs/dbraw/zinc/70/65/63/599706563.db2.gz MLVWZHVGEBXHFU-GDBMZVCRSA-N -1 0 397.431 3.100 20 5 GGBDRM CCOc1ccc(C[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737205194 599707435 /nfs/dbraw/zinc/70/74/35/599707435.db2.gz GNSFJMGBOXJQHC-GFCCVEGCSA-N -1 0 390.421 3.058 20 5 GGBDRM O=C([O-])NCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000739947017 599711632 /nfs/dbraw/zinc/71/16/32/599711632.db2.gz ADUJBBIFLJVHDU-UHFFFAOYSA-N -1 0 393.783 3.423 20 5 GGBDRM O=C([O-])c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1O ZINC000739360226 599718232 /nfs/dbraw/zinc/71/82/32/599718232.db2.gz XACXUPQJDVKYFO-UHFFFAOYSA-N -1 0 388.379 3.197 20 5 GGBDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737199182 599736223 /nfs/dbraw/zinc/73/62/23/599736223.db2.gz ITLBAHGXZAHAQF-AWEZNQCLSA-N -1 0 387.392 3.059 20 5 GGBDRM CC[C@H](C)[C@H](NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000486007332 599742390 /nfs/dbraw/zinc/74/23/90/599742390.db2.gz SGDJOLNWMVOVFO-IGCXYCKISA-N -1 0 377.441 3.060 20 5 GGBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000738525386 599749131 /nfs/dbraw/zinc/74/91/31/599749131.db2.gz LAYCCHRCQGNAEF-LBPRGKRZSA-N -1 0 386.360 3.094 20 5 GGBDRM COc1ccc([C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000558000186 599756924 /nfs/dbraw/zinc/75/69/24/599756924.db2.gz ICIIUYUPJZSSAH-ZBEGNZNMSA-N -1 0 390.417 3.026 20 5 GGBDRM COc1cc(Cl)ccc1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000737888976 599764151 /nfs/dbraw/zinc/76/41/51/599764151.db2.gz MCBAKGSVOMMBAF-UHFFFAOYSA-N -1 0 381.728 3.475 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1OC ZINC000262261977 599768034 /nfs/dbraw/zinc/76/80/34/599768034.db2.gz YYDLNTIPYXPYES-UHFFFAOYSA-N -1 0 388.376 3.272 20 5 GGBDRM C[C@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000485926177 599780400 /nfs/dbraw/zinc/78/04/00/599780400.db2.gz PYTPANDEHPAYMQ-SNVBAGLBSA-N -1 0 378.768 3.491 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](c2cccc(F)c2)C1 ZINC000740097796 599780459 /nfs/dbraw/zinc/78/04/59/599780459.db2.gz TZWZPKUXXKPYQE-LLVKDONJSA-N -1 0 375.312 3.334 20 5 GGBDRM O=C([O-])/C=C/c1ccc(Nc2ccc(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000739624433 599810116 /nfs/dbraw/zinc/81/01/16/599810116.db2.gz JGBULZGKTIJRFX-QHHAFSJGSA-N -1 0 387.367 3.412 20 5 GGBDRM Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(N)c([N+](=O)[O-])c1 ZINC000738339693 599810649 /nfs/dbraw/zinc/81/06/49/599810649.db2.gz WNNJNUBXOYVYAT-UHFFFAOYSA-N -1 0 375.406 3.056 20 5 GGBDRM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000739387717 599820455 /nfs/dbraw/zinc/82/04/55/599820455.db2.gz LPMLMFNOVFWTDW-HNNXBMFYSA-N -1 0 384.392 3.211 20 5 GGBDRM C[C@H](OC(=O)c1ccccc1C(=O)[O-])c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000736697757 599827613 /nfs/dbraw/zinc/82/76/13/599827613.db2.gz NRXXYPRAFSNNOY-JTQLQIEISA-N -1 0 383.316 3.261 20 5 GGBDRM C[C@](NC(=O)c1csc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736660436 599835512 /nfs/dbraw/zinc/83/55/12/599835512.db2.gz KIKSHBDPLODOHD-CQSZACIVSA-N -1 0 399.222 3.149 20 5 GGBDRM C[C@@](NC(=O)c1ccc([N+](=O)[O-])s1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736657812 599836358 /nfs/dbraw/zinc/83/63/58/599836358.db2.gz UASWVTPLBQCIOF-AWEZNQCLSA-N -1 0 399.222 3.149 20 5 GGBDRM COc1ccccc1CC1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000262567997 599837210 /nfs/dbraw/zinc/83/72/10/599837210.db2.gz BVEBLIAIXNPNMR-UHFFFAOYSA-N -1 0 398.415 3.397 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655497 599843135 /nfs/dbraw/zinc/84/31/35/599843135.db2.gz DJPSBTYYXRSIGK-AWEZNQCLSA-N -1 0 389.452 3.348 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000736703692 599843176 /nfs/dbraw/zinc/84/31/76/599843176.db2.gz XQURHFJIDZAUOE-MRVPVSSYSA-N -1 0 382.731 3.492 20 5 GGBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000738200014 599848759 /nfs/dbraw/zinc/84/87/59/599848759.db2.gz DTXOOWSECZJYFX-INIZCTEOSA-N -1 0 390.417 3.028 20 5 GGBDRM COc1cccc(N2CC[C@@H](Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000738105293 599854756 /nfs/dbraw/zinc/85/47/56/599854756.db2.gz BZYLNJMLTVOEDM-DDJMYBDESA-N -1 0 383.404 3.392 20 5 GGBDRM C[C@@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000736696068 599867660 /nfs/dbraw/zinc/86/76/60/599867660.db2.gz GQEFHKPABSBYCS-SECBINFHSA-N -1 0 391.311 3.008 20 5 GGBDRM CNc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000611463660 599869047 /nfs/dbraw/zinc/86/90/47/599869047.db2.gz OHRJZUKQEQCFQQ-UHFFFAOYSA-N -1 0 385.401 3.479 20 5 GGBDRM CNC(=O)c1ccc(NCc2c3ccccc3sc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000737547326 599874018 /nfs/dbraw/zinc/87/40/18/599874018.db2.gz UEHPEAWXLABAPH-UHFFFAOYSA-N -1 0 385.401 3.479 20 5 GGBDRM Cc1sc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000738993084 599895326 /nfs/dbraw/zinc/89/53/26/599895326.db2.gz MYEZELPPZKMDOP-LBPRGKRZSA-N -1 0 378.410 3.257 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1SC ZINC000737901952 599904928 /nfs/dbraw/zinc/90/49/28/599904928.db2.gz FWNZJCLCGYUVPJ-QKCSRTOESA-N -1 0 394.449 3.183 20 5 GGBDRM CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1OCC(=O)[O-] ZINC000737186786 599913243 /nfs/dbraw/zinc/91/32/43/599913243.db2.gz YRYGLBICQZCIHN-UHFFFAOYSA-N -1 0 394.767 3.363 20 5 GGBDRM C[C@H](CN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000236667730 599922665 /nfs/dbraw/zinc/92/26/65/599922665.db2.gz BGOVVQIWXCEKQO-CQSZACIVSA-N -1 0 389.452 3.156 20 5 GGBDRM Cc1ccc(C[C@@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000738589027 599924270 /nfs/dbraw/zinc/92/42/70/599924270.db2.gz LCUXHAIDOIZGAL-HUUCEWRRSA-N -1 0 399.447 3.458 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1SC ZINC000262480019 599928054 /nfs/dbraw/zinc/92/80/54/599928054.db2.gz KJQPILZQEBZSIY-UHFFFAOYSA-N -1 0 394.405 3.197 20 5 GGBDRM O=C([O-])CC[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000485362004 599931655 /nfs/dbraw/zinc/93/16/55/599931655.db2.gz LOMVCJVOYGOUNE-KRWDZBQOSA-N -1 0 381.388 3.272 20 5 GGBDRM O=C([O-])c1ccc(OCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000739427416 599941328 /nfs/dbraw/zinc/94/13/28/599941328.db2.gz ORHLKFNVMHFBSL-UHFFFAOYSA-N -1 0 379.756 3.147 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000739407227 599948487 /nfs/dbraw/zinc/94/84/87/599948487.db2.gz FPQFFSFHBMEKPL-LLVKDONJSA-N -1 0 380.759 3.061 20 5 GGBDRM CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000262640019 599973047 /nfs/dbraw/zinc/97/30/47/599973047.db2.gz PYQJYUQXITYUJN-CYBMUJFWSA-N -1 0 386.404 3.395 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736713481 599979050 /nfs/dbraw/zinc/97/90/50/599979050.db2.gz UQYOKMFRTYXFPW-VFZGTOFNSA-N -1 0 396.371 3.296 20 5 GGBDRM CC(C)c1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(C(=O)[O-])c1 ZINC000736515107 599996714 /nfs/dbraw/zinc/99/67/14/599996714.db2.gz HTDHFPCJZZJVSH-UHFFFAOYSA-N -1 0 395.375 3.249 20 5 GGBDRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000736700716 599998722 /nfs/dbraw/zinc/99/87/22/599998722.db2.gz YIUCDHSFQKQLAO-VIFPVBQESA-N -1 0 391.311 3.008 20 5 GGBDRM Cc1cccc(C[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C(=O)[O-])c1 ZINC000738708025 600005536 /nfs/dbraw/zinc/00/55/36/600005536.db2.gz QDZCHTAVKCKWSW-OAHLLOKOSA-N -1 0 383.404 3.143 20 5 GGBDRM O=C([O-])CSCc1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000739870441 600019346 /nfs/dbraw/zinc/01/93/46/600019346.db2.gz FJZFGOMCMVHWDG-UHFFFAOYSA-N -1 0 375.406 3.234 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])C1 ZINC000237712946 600019825 /nfs/dbraw/zinc/01/98/25/600019825.db2.gz VOZUSYDEJAJGKM-DZKIICNBSA-N -1 0 389.452 3.014 20 5 GGBDRM 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O=C([O-])c1ccc(F)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000739251572 600250074 /nfs/dbraw/zinc/25/00/74/600250074.db2.gz OFEFDIVCHSJKEZ-UHFFFAOYSA-N -1 0 382.731 3.493 20 5 GGBDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000738088185 600250341 /nfs/dbraw/zinc/25/03/41/600250341.db2.gz FURGLZOUSCSYJL-UHFFFAOYSA-N -1 0 386.360 3.121 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000739252043 600250777 /nfs/dbraw/zinc/25/07/77/600250777.db2.gz RVYCYLCLQYFCQL-AWEZNQCLSA-N -1 0 384.797 3.021 20 5 GGBDRM Cc1cc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738448229 600253864 /nfs/dbraw/zinc/25/38/64/600253864.db2.gz AUXCRNWDRMWMNJ-LLVKDONJSA-N -1 0 386.408 3.418 20 5 GGBDRM Cc1oc(C(=O)[O-])cc1COC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000738962485 600267195 /nfs/dbraw/zinc/26/71/95/600267195.db2.gz AOGKFFXQLSTLJP-UHFFFAOYSA-N -1 0 383.740 3.360 20 5 GGBDRM O=C([O-])c1ccc(COC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 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CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000737108915 601048558 /nfs/dbraw/zinc/04/85/58/601048558.db2.gz PHBKCASZWXWQTH-UHFFFAOYSA-N -1 0 384.797 3.162 20 5 GGBDRM Cc1cccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c1[N+](=O)[O-] ZINC000832963387 601057636 /nfs/dbraw/zinc/05/76/36/601057636.db2.gz RAVLFNKHZIFGMY-UHFFFAOYSA-N -1 0 379.752 3.491 20 5 GGBDRM Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833090096 601057706 /nfs/dbraw/zinc/05/77/06/601057706.db2.gz BFXFSTHRFIXAST-ZDUSSCGKSA-N -1 0 385.159 3.467 20 5 GGBDRM CN1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2cc(Cl)ccc21 ZINC000830949154 601062308 /nfs/dbraw/zinc/06/23/08/601062308.db2.gz CFNWFNDTCYXLNQ-UHFFFAOYSA-N -1 0 375.768 3.043 20 5 GGBDRM Cc1cc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)ccc1[N+](=O)[O-] ZINC000832867453 601063048 /nfs/dbraw/zinc/06/30/48/601063048.db2.gz FIWGTDPITOHVBM-UHFFFAOYSA-N -1 0 379.752 3.491 20 5 GGBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000827843411 601063684 /nfs/dbraw/zinc/06/36/84/601063684.db2.gz HLVDBPSFGUMTHC-NSHDSACASA-N -1 0 397.343 3.185 20 5 GGBDRM Cc1c(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cccc1[N+](=O)[O-] ZINC000832854059 601064875 /nfs/dbraw/zinc/06/48/75/601064875.db2.gz SDEZLEGTZQGZOF-UHFFFAOYSA-N -1 0 379.752 3.491 20 5 GGBDRM O=C([O-])c1cc(C(=O)OCc2ncc(-c3ccccc3F)o2)cc([N+](=O)[O-])c1 ZINC000833298312 601065051 /nfs/dbraw/zinc/06/50/51/601065051.db2.gz RUESYLFAEQMCGN-UHFFFAOYSA-N -1 0 386.291 3.444 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000736702960 601077349 /nfs/dbraw/zinc/07/73/49/601077349.db2.gz IAXFULFIQZQJLB-RISCZKNCSA-N -1 0 392.795 3.000 20 5 GGBDRM COc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000831882586 601077658 /nfs/dbraw/zinc/07/76/58/601077658.db2.gz HVCFNUBJGIYPNG-UHFFFAOYSA-N -1 0 379.394 3.308 20 5 GGBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000833176866 601092702 /nfs/dbraw/zinc/09/27/02/601092702.db2.gz IHFGRUXMNPWUBM-NVXWUHKLSA-N -1 0 390.436 3.246 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000833176868 601092790 /nfs/dbraw/zinc/09/27/90/601092790.db2.gz IHFGRUXMNPWUBM-WBVHZDCISA-N -1 0 390.436 3.246 20 5 GGBDRM CCO[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCCCC2 ZINC000531748333 601094237 /nfs/dbraw/zinc/09/42/37/601094237.db2.gz GISXQNIEAFWDGP-CVEARBPZSA-N -1 0 376.409 3.151 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000832481598 601095165 /nfs/dbraw/zinc/09/51/65/601095165.db2.gz MHUITUXMAJEMMR-UHFFFAOYSA-N -1 0 387.392 3.287 20 5 GGBDRM O=C([O-])c1cc(C(=O)Nc2c3nsnc3ccc2Cl)cc([N+](=O)[O-])c1 ZINC000738672897 601096625 /nfs/dbraw/zinc/09/66/25/601096625.db2.gz MXRPMRSATRLXKA-UHFFFAOYSA-N -1 0 378.753 3.203 20 5 GGBDRM COCCOc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831774313 601138604 /nfs/dbraw/zinc/13/86/04/601138604.db2.gz SBMKMQKENYRHEV-UHFFFAOYSA-N -1 0 394.767 3.224 20 5 GGBDRM O=C([O-])CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000833245775 601143507 /nfs/dbraw/zinc/14/35/07/601143507.db2.gz OXALSBXQINXYLF-UHFFFAOYSA-N -1 0 387.367 3.066 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827909151 601145533 /nfs/dbraw/zinc/14/55/33/601145533.db2.gz SXWQTWIMOIHYDF-NSHDSACASA-N -1 0 378.381 3.332 20 5 GGBDRM CCOc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC ZINC000830049896 601147880 /nfs/dbraw/zinc/14/78/80/601147880.db2.gz RUOKUMLKFSHJEB-NEPJUHHUSA-N -1 0 380.397 3.222 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000833199423 601149384 /nfs/dbraw/zinc/14/93/84/601149384.db2.gz YGRDDZLQBDEFQB-ZDUSSCGKSA-N -1 0 393.193 3.303 20 5 GGBDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000832524281 601151504 /nfs/dbraw/zinc/15/15/04/601151504.db2.gz TXAZLHSDZMYCTL-UHFFFAOYSA-N -1 0 396.149 3.283 20 5 GGBDRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000832178997 601155608 /nfs/dbraw/zinc/15/56/08/601155608.db2.gz OKHXXCMMUSKMKF-UHFFFAOYSA-N -1 0 395.165 3.316 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190859210 601165200 /nfs/dbraw/zinc/16/52/00/601165200.db2.gz DTDXSGWPJCIGMZ-PIGZYNQJSA-N -1 0 376.796 3.369 20 5 GGBDRM CCc1noc(-c2ccc(C)c(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000830339212 601175615 /nfs/dbraw/zinc/17/56/15/601175615.db2.gz RIMDEHUQWBKERE-UHFFFAOYSA-N -1 0 396.359 3.466 20 5 GGBDRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000827817100 601184567 /nfs/dbraw/zinc/18/45/67/601184567.db2.gz HYYLXNBZAXOCCB-HBNTYKKESA-N -1 0 398.799 3.009 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000595999046 601185003 /nfs/dbraw/zinc/18/50/03/601185003.db2.gz INSIODLDPBYPHJ-LLVKDONJSA-N -1 0 384.816 3.309 20 5 GGBDRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827826747 601188734 /nfs/dbraw/zinc/18/87/34/601188734.db2.gz ONCFVZPSIUXQAS-CYZMBNFOSA-N -1 0 389.364 3.140 20 5 GGBDRM COc1cc(F)c([N+](=O)[O-])c(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000832011275 601196861 /nfs/dbraw/zinc/19/68/61/601196861.db2.gz UAOPWQIZPWWBRZ-UHFFFAOYSA-N -1 0 385.351 3.485 20 5 GGBDRM O=C([O-])c1ccsc1N1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000833341854 601201239 /nfs/dbraw/zinc/20/12/39/601201239.db2.gz RKVBHSYRXMVHAQ-LLVKDONJSA-N -1 0 381.797 3.225 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000826054827 601201469 /nfs/dbraw/zinc/20/14/69/601201469.db2.gz QXGFTNUKAKXEKX-PXAZEXFGSA-N -1 0 382.376 3.196 20 5 GGBDRM C[C@H](C(=O)[O-])[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000826051895 601202648 /nfs/dbraw/zinc/20/26/48/601202648.db2.gz DXFPGSCSNZROSP-YVEFUNNKSA-N -1 0 382.376 3.196 20 5 GGBDRM CCS[C@@H]1CCC[C@H](Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830158581 601208971 /nfs/dbraw/zinc/20/89/71/601208971.db2.gz YIYVOPBVFDFCES-KWCYVHTRSA-N -1 0 395.481 3.274 20 5 GGBDRM CCS[C@@H]1CCC[C@@H](Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830158580 601209118 /nfs/dbraw/zinc/20/91/18/601209118.db2.gz YIYVOPBVFDFCES-IACUBPJLSA-N -1 0 395.481 3.274 20 5 GGBDRM Cc1ccc([C@@H]2CCCN2c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000832928815 601209130 /nfs/dbraw/zinc/20/91/30/601209130.db2.gz WXTPECDKAQBOOI-KRWDZBQOSA-N -1 0 397.431 3.368 20 5 GGBDRM O=C([O-])[C@H](CNc1ncc([N+](=O)[O-])cc1Br)Cc1cccc(F)c1 ZINC000833164691 601225758 /nfs/dbraw/zinc/22/57/58/601225758.db2.gz VJTMJQCCJOUYGN-JTQLQIEISA-N -1 0 398.188 3.247 20 5 GGBDRM C[C@H](c1ccc(F)cc1)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000827696209 601247379 /nfs/dbraw/zinc/24/73/79/601247379.db2.gz ZZMUCPOQPKVZJR-NWDGAFQWSA-N -1 0 389.383 3.134 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N(C)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827696210 601247727 /nfs/dbraw/zinc/24/77/27/601247727.db2.gz ZZMUCPOQPKVZJR-RYUDHWBXSA-N -1 0 389.383 3.134 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N(Cc2cccs2)C2CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827695243 601248176 /nfs/dbraw/zinc/24/81/76/601248176.db2.gz POIYXMNGBDDAHS-LLVKDONJSA-N -1 0 389.433 3.028 20 5 GGBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000827049415 601248197 /nfs/dbraw/zinc/24/81/97/601248197.db2.gz UUZRKXBVPSTAPI-UHFFFAOYSA-N -1 0 399.403 3.081 20 5 GGBDRM C[C@H](c1cc2ccccc2o1)N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000827928684 601248204 /nfs/dbraw/zinc/24/82/04/601248204.db2.gz MWGDZKMXXUJVQF-GFCCVEGCSA-N -1 0 397.387 3.353 20 5 GGBDRM CCN(Cc1cccc(Cl)c1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000829722480 601249326 /nfs/dbraw/zinc/24/93/26/601249326.db2.gz LHVKHXPVMCDUGK-UHFFFAOYSA-N -1 0 391.811 3.089 20 5 GGBDRM C[C@H](c1cccc(Cl)c1)N(C)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000827942452 601250096 /nfs/dbraw/zinc/25/00/96/601250096.db2.gz SLLQIKICJISXOQ-LLVKDONJSA-N -1 0 391.811 3.260 20 5 GGBDRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000833317625 601257531 /nfs/dbraw/zinc/25/75/31/601257531.db2.gz ZEFVNFUSQGPOLM-UHFFFAOYSA-N -1 0 392.172 3.368 20 5 GGBDRM O=C([O-])c1ccsc1N1CC[C@@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000833342297 601263044 /nfs/dbraw/zinc/26/30/44/601263044.db2.gz WUEYYRQJHAJNMT-LLVKDONJSA-N -1 0 381.797 3.225 20 5 GGBDRM O=C([O-])c1ccsc1N1CC[C@H](Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000833342299 601263230 /nfs/dbraw/zinc/26/32/30/601263230.db2.gz WUEYYRQJHAJNMT-NSHDSACASA-N -1 0 381.797 3.225 20 5 GGBDRM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000828989218 601269320 /nfs/dbraw/zinc/26/93/20/601269320.db2.gz UJASQXIOJGQRTR-HNNXBMFYSA-N -1 0 378.406 3.031 20 5 GGBDRM CC[C@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828994206 601269378 /nfs/dbraw/zinc/26/93/78/601269378.db2.gz KLTNZZGRQMSWOO-YRYLYKBFSA-N -1 0 390.417 3.122 20 5 GGBDRM CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000828994373 601269915 /nfs/dbraw/zinc/26/99/15/601269915.db2.gz WZPOQCMCJTYYJD-AWEZNQCLSA-N -1 0 398.824 3.376 20 5 GGBDRM Cc1c(C(=O)NC2(CC(=O)[O-])CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832849753 601271536 /nfs/dbraw/zinc/27/15/36/601271536.db2.gz RNJOKFKDEWVXBJ-UHFFFAOYSA-N -1 0 379.369 3.027 20 5 GGBDRM CCC1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)(C(=O)[O-])CC1 ZINC000829094133 601276561 /nfs/dbraw/zinc/27/65/61/601276561.db2.gz NSPHABWLODBCSS-UHFFFAOYSA-N -1 0 393.396 3.273 20 5 GGBDRM Nc1c(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000833090020 601282851 /nfs/dbraw/zinc/28/28/51/601282851.db2.gz MPCVBNQIQHVAJW-UHFFFAOYSA-N -1 0 399.281 3.069 20 5 GGBDRM Nc1c(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000237877424 601284741 /nfs/dbraw/zinc/28/47/41/601284741.db2.gz DGFNERPUZMBCNC-MRXNPFEDSA-N -1 0 393.399 3.004 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237760245 601298857 /nfs/dbraw/zinc/29/88/57/601298857.db2.gz QTKZQSHWXGDNCC-XIKOKIGWSA-N -1 0 383.404 3.361 20 5 GGBDRM CCC(CC)(CC(=O)[O-])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000263009933 601304431 /nfs/dbraw/zinc/30/44/31/601304431.db2.gz WNJGXWAWXKEYLQ-UHFFFAOYSA-N -1 0 380.444 3.304 20 5 GGBDRM O=C([O-])CC1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCOCC1 ZINC000262473743 601329525 /nfs/dbraw/zinc/32/95/25/601329525.db2.gz JRQLTBBLCIFPGW-UHFFFAOYSA-N -1 0 399.403 3.092 20 5 GGBDRM CC[C@@H](NC(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828951017 601334195 /nfs/dbraw/zinc/33/41/95/601334195.db2.gz AAPHGFXBZAXIRY-QGZVFWFLSA-N -1 0 387.392 3.009 20 5 GGBDRM CC[C@H](NC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828951162 601334411 /nfs/dbraw/zinc/33/44/11/601334411.db2.gz FBCRZAXZLTZZAT-KRWDZBQOSA-N -1 0 387.392 3.122 20 5 GGBDRM COc1cc(COc2ccc(C(=O)[O-])cc2C=O)c([N+](=O)[O-])cc1OC(F)F ZINC000832000132 601347003 /nfs/dbraw/zinc/34/70/03/601347003.db2.gz JVNRRJCPHQCWJG-UHFFFAOYSA-N -1 0 397.286 3.295 20 5 GGBDRM Cc1cc([C@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000832876165 601384544 /nfs/dbraw/zinc/38/45/44/601384544.db2.gz QPXJIXHPLKDCPQ-NWDGAFQWSA-N -1 0 389.383 3.418 20 5 GGBDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000832920905 601399427 /nfs/dbraw/zinc/39/94/27/601399427.db2.gz JUGKVLAGYLGJLX-SNVBAGLBSA-N -1 0 398.824 3.294 20 5 GGBDRM Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832921868 601399473 /nfs/dbraw/zinc/39/94/73/601399473.db2.gz XWAVYJDQNJLVEN-SNVBAGLBSA-N -1 0 398.824 3.294 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000833136299 601402446 /nfs/dbraw/zinc/40/24/46/601402446.db2.gz ZJBJPUOGHJQOJK-NSHDSACASA-N -1 0 380.759 3.061 20 5 GGBDRM O=C([O-])c1ccc(-c2ccc(C(=O)OCCn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC000833307102 601403690 /nfs/dbraw/zinc/40/36/90/601403690.db2.gz AVKUJXLQKLBGJU-UHFFFAOYSA-N -1 0 381.344 3.014 20 5 GGBDRM CC(C)(NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000826630871 601405704 /nfs/dbraw/zinc/40/57/04/601405704.db2.gz XMFGBNREFFZQJS-UHFFFAOYSA-N -1 0 398.824 3.160 20 5 GGBDRM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830157252 601410674 /nfs/dbraw/zinc/41/06/74/601410674.db2.gz GRIFUQLZMGVZOR-DIOULYMOSA-N -1 0 395.481 3.274 20 5 GGBDRM CCS[C@@H]1CCCC[C@H]1Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830157258 601410720 /nfs/dbraw/zinc/41/07/20/601410720.db2.gz GRIFUQLZMGVZOR-SGIREYDYSA-N -1 0 395.481 3.274 20 5 GGBDRM 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(-c2ccco2)nc2ccccn21 ZINC000128487380 1415998096 /nfs/dbraw/zinc/99/80/96/1415998096.db2.gz PVWFIOHASUCBND-UHFFFAOYSA-N -1 0 384.373 3.303 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(-c3ccncc3)nc3ccccn32)cc1 ZINC000128524903 1416005932 /nfs/dbraw/zinc/00/59/32/1416005932.db2.gz HTWJFWLUULISTE-UHFFFAOYSA-N -1 0 395.400 3.105 20 5 GGBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1csc(C2CC2)n1 ZINC000826451233 1429043413 /nfs/dbraw/zinc/04/34/13/1429043413.db2.gz WPJATPWQWXBCSW-UHFFFAOYSA-N -1 0 391.800 3.015 20 5 GGBDRM Cc1cccc(-c2cncc(C(=O)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c1 ZINC000178314881 1429050182 /nfs/dbraw/zinc/05/01/82/1429050182.db2.gz MRBJEUJOSFYNAM-UHFFFAOYSA-N -1 0 397.412 3.084 20 5 GGBDRM CN(Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1)C(=O)C(F)(F)F ZINC000128916293 1416101002 /nfs/dbraw/zinc/10/10/02/1416101002.db2.gz DAAASRYEGMBHRD-UHFFFAOYSA-N -1 0 397.309 3.073 20 5 GGBDRM 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CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000130119224 1416321718 /nfs/dbraw/zinc/32/17/18/1416321718.db2.gz MFBWZIUMCFGTAY-UHFFFAOYSA-N -1 0 391.449 3.025 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)cc1C ZINC000130594034 1416406276 /nfs/dbraw/zinc/40/62/76/1416406276.db2.gz CNPPTFABUOMZKV-UHFFFAOYSA-N -1 0 384.417 3.469 20 5 GGBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nccc(-c2ccccc2)n1 ZINC000130597686 1416407028 /nfs/dbraw/zinc/40/70/28/1416407028.db2.gz LIPZCOWNBIPQBW-UHFFFAOYSA-N -1 0 384.417 3.036 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000130663718 1416421001 /nfs/dbraw/zinc/42/10/01/1416421001.db2.gz MUAXTUIONYGACW-UHFFFAOYSA-N -1 0 393.812 3.143 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)c(C(F)(F)F)c1 ZINC000130754977 1416442947 /nfs/dbraw/zinc/44/29/47/1416442947.db2.gz WJOLCQISDSWMID-UHFFFAOYSA-N -1 0 381.719 3.463 20 5 GGBDRM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3nc4ccccc4[n-]3)co2)cc1 ZINC000130954441 1416486727 /nfs/dbraw/zinc/48/67/27/1416486727.db2.gz ONRQWNRIUNZKIS-UHFFFAOYSA-N -1 0 384.373 3.100 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000131260353 1416531258 /nfs/dbraw/zinc/53/12/58/1416531258.db2.gz VHWXIYKEHJILCB-UHFFFAOYSA-N -1 0 392.824 3.294 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1 ZINC000131277906 1416533737 /nfs/dbraw/zinc/53/37/37/1416533737.db2.gz YBJYKZOYUYADLA-UHFFFAOYSA-N -1 0 392.824 3.294 20 5 GGBDRM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131282196 1416534604 /nfs/dbraw/zinc/53/46/04/1416534604.db2.gz JJYDUDYOHCPTAF-UHFFFAOYSA-N -1 0 397.840 3.187 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc([N+](=O)[O-])c1F ZINC000131399435 1416551401 /nfs/dbraw/zinc/55/14/01/1416551401.db2.gz VYJUYTXTQFYZKA-UHFFFAOYSA-N -1 0 376.369 3.029 20 5 GGBDRM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000131776963 1416618322 /nfs/dbraw/zinc/61/83/22/1416618322.db2.gz XHSABHTUYORUNT-UHFFFAOYSA-N -1 0 380.404 3.395 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)nc(C1CC1)n2C ZINC000131854910 1416635513 /nfs/dbraw/zinc/63/55/13/1416635513.db2.gz LECXMHLCPLFHGT-UHFFFAOYSA-N -1 0 386.433 3.468 20 5 GGBDRM CCc1c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000132663609 1416801285 /nfs/dbraw/zinc/80/12/85/1416801285.db2.gz SFTYPCBSIGJBIU-UHFFFAOYSA-N -1 0 384.433 3.258 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c([N+](=O)[O-])c1 ZINC000132773479 1416813275 /nfs/dbraw/zinc/81/32/75/1416813275.db2.gz MOCAKUJLMYOTMS-UHFFFAOYSA-N -1 0 375.362 3.059 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(C(F)(F)F)c1 ZINC000132921409 1416831629 /nfs/dbraw/zinc/83/16/29/1416831629.db2.gz RFHFCKBGOKYPGO-UHFFFAOYSA-N -1 0 388.323 3.445 20 5 GGBDRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133533404 1416899154 /nfs/dbraw/zinc/89/91/54/1416899154.db2.gz UVLUTARGZLJJML-JTQLQIEISA-N -1 0 391.877 3.242 20 5 GGBDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000133538275 1416899374 /nfs/dbraw/zinc/89/93/74/1416899374.db2.gz WGSKUCMTBGSATP-SNVBAGLBSA-N -1 0 391.877 3.242 20 5 GGBDRM O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])c([O-])c2)N1Cc1cccnc1 ZINC000133720641 1416950655 /nfs/dbraw/zinc/95/06/55/1416950655.db2.gz JVIKNUTXWGAZJI-IBGZPJMESA-N -1 0 376.372 3.462 20 5 GGBDRM CC(C)n1cc2cc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2n1 ZINC000134045853 1417014460 /nfs/dbraw/zinc/01/44/60/1417014460.db2.gz BBEGRZUGWNKFBZ-UHFFFAOYSA-N -1 0 376.394 3.032 20 5 GGBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] ZINC000134115975 1417024104 /nfs/dbraw/zinc/02/41/04/1417024104.db2.gz PXUPFBBRVPASGM-UHFFFAOYSA-N -1 0 377.353 3.498 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c(F)c1 ZINC000135248394 1417195779 /nfs/dbraw/zinc/19/57/79/1417195779.db2.gz GSGLJWVXDVFCOB-UHFFFAOYSA-N -1 0 379.341 3.244 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000135246395 1417195839 /nfs/dbraw/zinc/19/58/39/1417195839.db2.gz SBFZWOZJUOWEKT-UHFFFAOYSA-N -1 0 375.378 3.414 20 5 GGBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2C)o1 ZINC000135402713 1417215444 /nfs/dbraw/zinc/21/54/44/1417215444.db2.gz BCMCYRQSPFGJHX-UHFFFAOYSA-N -1 0 380.357 3.135 20 5 GGBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2C)o1 ZINC000135402607 1417215500 /nfs/dbraw/zinc/21/55/00/1417215500.db2.gz KICBPSUMGVYEKN-UHFFFAOYSA-N -1 0 376.394 3.304 20 5 GGBDRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2C)o1 ZINC000135405763 1417216058 /nfs/dbraw/zinc/21/60/58/1417216058.db2.gz MCQTXNXKCRBFJR-UHFFFAOYSA-N -1 0 376.394 3.304 20 5 GGBDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000135527310 1417233396 /nfs/dbraw/zinc/23/33/96/1417233396.db2.gz OESYSBSZKCMUKS-UHFFFAOYSA-N -1 0 394.796 3.128 20 5 GGBDRM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000826498620 1429175437 /nfs/dbraw/zinc/17/54/37/1429175437.db2.gz CWSDEAYLXZIKAU-QGZVFWFLSA-N -1 0 377.360 3.041 20 5 GGBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(N(C)C)n1 ZINC000137207303 1417375318 /nfs/dbraw/zinc/37/53/18/1417375318.db2.gz DBEJKPOKUJHIDP-UHFFFAOYSA-N -1 0 384.845 3.127 20 5 GGBDRM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145581396 1417691746 /nfs/dbraw/zinc/69/17/46/1417691746.db2.gz CEKIYMWGLVVVHS-UHFFFAOYSA-N -1 0 399.812 3.016 20 5 GGBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000149902015 1417781641 /nfs/dbraw/zinc/78/16/41/1417781641.db2.gz ZGULHCUNKSPIDN-UHFFFAOYSA-N -1 0 392.618 3.207 20 5 GGBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000149231690 1417773585 /nfs/dbraw/zinc/77/35/85/1417773585.db2.gz HVRWVCKMQIRLPV-UHFFFAOYSA-N -1 0 392.618 3.207 20 5 GGBDRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1C(=O)N(C)C 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/nfs/dbraw/zinc/25/75/42/1429257542.db2.gz CQHQGWWUPBLCOB-UHFFFAOYSA-N -1 0 382.380 3.123 20 5 GGBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000179216133 1429297296 /nfs/dbraw/zinc/29/72/96/1429297296.db2.gz ULHGORVKMIATCR-UHFFFAOYSA-N -1 0 376.434 3.158 20 5 GGBDRM CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000825830291 1429298786 /nfs/dbraw/zinc/29/87/86/1429298786.db2.gz SARAFUYLJHHFPP-UHFFFAOYSA-N -1 0 380.408 3.349 20 5 GGBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000179409790 1429362972 /nfs/dbraw/zinc/36/29/72/1429362972.db2.gz HPCOATDTPGUKNR-UHFFFAOYSA-N -1 0 389.839 3.302 20 5 GGBDRM O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179475018 1429387508 /nfs/dbraw/zinc/38/75/08/1429387508.db2.gz PNQLCZQUFQMUTB-UHFFFAOYSA-N -1 0 384.417 3.182 20 5 GGBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000179540627 1429418443 /nfs/dbraw/zinc/41/84/43/1429418443.db2.gz FOEDOTZWXXPJOU-AWEZNQCLSA-N -1 0 395.415 3.057 20 5 GGBDRM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000825958289 1429422680 /nfs/dbraw/zinc/42/26/80/1429422680.db2.gz QHTQWTZGUAKXPQ-UHFFFAOYSA-N -1 0 390.350 3.008 20 5 GGBDRM O=[N+]([O-])c1cc(Cc2ccccc2)ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826497453 1429477580 /nfs/dbraw/zinc/47/75/80/1429477580.db2.gz HTOVBCQVAGNRAN-UHFFFAOYSA-N -1 0 388.387 3.340 20 5 GGBDRM O=C(CCCc1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826406993 1429481488 /nfs/dbraw/zinc/48/14/88/1429481488.db2.gz WHWZJAPTBOTRPC-UHFFFAOYSA-N -1 0 386.799 3.390 20 5 GGBDRM COCc1nc2cc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2o1 ZINC000152322822 1422072190 /nfs/dbraw/zinc/07/21/90/1422072190.db2.gz NIFMUQXEPJXRRL-UHFFFAOYSA-N -1 0 391.405 3.300 20 5 GGBDRM Cc1c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000152617185 1422167927 /nfs/dbraw/zinc/16/79/27/1422167927.db2.gz ZBVCOHWJQXIZQG-UHFFFAOYSA-N -1 0 390.396 3.337 20 5 GGBDRM Cc1c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000152620958 1422171501 /nfs/dbraw/zinc/17/15/01/1422171501.db2.gz IMXZVCUJDGIZIH-UHFFFAOYSA-N -1 0 394.359 3.168 20 5 GGBDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1O ZINC000153186250 1422385913 /nfs/dbraw/zinc/38/59/13/1422385913.db2.gz ZBROJKQNYQLICA-UHFFFAOYSA-N -1 0 387.211 3.172 20 5 GGBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)n[nH]2)c1 ZINC000153189519 1422387078 /nfs/dbraw/zinc/38/70/78/1422387078.db2.gz GRGDOTHLKHPFMB-UHFFFAOYSA-N -1 0 380.332 3.064 20 5 GGBDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])n[nH]2)s1 ZINC000153212688 1422395506 /nfs/dbraw/zinc/39/55/06/1422395506.db2.gz UFPFGKVVYNVCFL-UHFFFAOYSA-N -1 0 382.398 3.295 20 5 GGBDRM Cc1cc(-c2nnc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])o2)c(C)o1 ZINC000153636217 1422665101 /nfs/dbraw/zinc/66/51/01/1422665101.db2.gz FCVGDAQKCSZSLR-UHFFFAOYSA-N -1 0 392.393 3.272 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000154021855 1422827115 /nfs/dbraw/zinc/82/71/15/1422827115.db2.gz KGRNAWDKOLFUCD-UHFFFAOYSA-N -1 0 375.362 3.059 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc([N+](=O)[O-])c1F ZINC000154269950 1422864822 /nfs/dbraw/zinc/86/48/22/1422864822.db2.gz IYXINSOKKBHVAQ-UHFFFAOYSA-N -1 0 376.369 3.029 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000154290702 1422867902 /nfs/dbraw/zinc/86/79/02/1422867902.db2.gz APQMBVAEGKETKY-JTQLQIEISA-N -1 0 398.387 3.180 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000154290587 1422868062 /nfs/dbraw/zinc/86/80/62/1422868062.db2.gz APQMBVAEGKETKY-SNVBAGLBSA-N -1 0 398.387 3.180 20 5 GGBDRM COCCn1ccc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000179886512 1429625179 /nfs/dbraw/zinc/62/51/79/1429625179.db2.gz OTYZVSDJJYHVQX-UHFFFAOYSA-N -1 0 389.433 3.305 20 5 GGBDRM O=[N+]([O-])c1cnc(Oc2ccc(C3SCCS3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651938 1423331490 /nfs/dbraw/zinc/33/14/90/1423331490.db2.gz SDAVUOVRQAZESQ-UHFFFAOYSA-N -1 0 388.434 3.441 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000155496598 1423386642 /nfs/dbraw/zinc/38/66/42/1423386642.db2.gz MTVGOFAWDUBFDC-LBPRGKRZSA-N -1 0 396.852 3.240 20 5 GGBDRM Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737270690 1423401130 /nfs/dbraw/zinc/40/11/30/1423401130.db2.gz OSRUGQODXVHFFS-CQSZACIVSA-N -1 0 397.414 3.303 20 5 GGBDRM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1-c1nn[n-]n1 ZINC000825986347 1423408180 /nfs/dbraw/zinc/40/81/80/1423408180.db2.gz ZPYKFDQEIIAMDK-UHFFFAOYSA-N -1 0 389.213 3.174 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737264087 1423554729 /nfs/dbraw/zinc/55/47/29/1423554729.db2.gz NOAUATKAZDVSOR-UHFFFAOYSA-N -1 0 387.783 3.275 20 5 GGBDRM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826451923 1423639652 /nfs/dbraw/zinc/63/96/52/1423639652.db2.gz 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0 397.391 3.155 20 5 GGBDRM CCCCS[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825296499 1427665695 /nfs/dbraw/zinc/66/56/95/1427665695.db2.gz MANFHPDHKCMEFD-MRVPVSSYSA-N -1 0 384.849 3.289 20 5 GGBDRM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737968965 1427820620 /nfs/dbraw/zinc/82/06/20/1427820620.db2.gz MCUMELBCXFAHAO-UHFFFAOYSA-N -1 0 398.448 3.287 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccccc1Br ZINC000823629768 1427836340 /nfs/dbraw/zinc/83/63/40/1427836340.db2.gz GVYZTKVBZWLYPO-UHFFFAOYSA-N -1 0 379.199 3.084 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N3CCc4cccc(F)c4C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499782 1427872364 /nfs/dbraw/zinc/87/23/64/1427872364.db2.gz XGHVLFMWIIRBCP-UHFFFAOYSA-N -1 0 391.366 3.025 20 5 GGBDRM COCc1nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000175923204 1427974732 /nfs/dbraw/zinc/97/47/32/1427974732.db2.gz WEYMOJCFGPAZDJ-UHFFFAOYSA-N -1 0 397.796 3.337 20 5 GGBDRM 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/nfs/dbraw/zinc/03/86/06/1430038606.db2.gz ATKULVICUQKMLJ-UHFFFAOYSA-N -1 0 378.728 3.168 20 5 GGBDRM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180787109 1430039293 /nfs/dbraw/zinc/03/92/93/1430039293.db2.gz UTBJHTUGIRLHGH-ZDUSSCGKSA-N -1 0 397.840 3.408 20 5 GGBDRM COc1ccc(-n2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])n2)cc1 ZINC000180787670 1430039884 /nfs/dbraw/zinc/03/98/84/1430039884.db2.gz SJOISWRKXUILBE-UHFFFAOYSA-N -1 0 388.767 3.400 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(Cl)ccc1OC(F)F ZINC000823624718 1430046139 /nfs/dbraw/zinc/04/61/39/1430046139.db2.gz GFUXCVVUYHFAFU-UHFFFAOYSA-N -1 0 397.729 3.037 20 5 GGBDRM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826498942 1430115005 /nfs/dbraw/zinc/11/50/05/1430115005.db2.gz PJDQRTWCOPUKAV-UHFFFAOYSA-N -1 0 380.286 3.128 20 5 GGBDRM COc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC1CCCC1 ZINC000821839755 1430129021 /nfs/dbraw/zinc/12/90/21/1430129021.db2.gz 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O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000181539730 1430317285 /nfs/dbraw/zinc/31/72/85/1430317285.db2.gz SACFREIJGFEUCS-STQMWFEESA-N -1 0 395.843 3.321 20 5 GGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000181539150 1430317525 /nfs/dbraw/zinc/31/75/25/1430317525.db2.gz FAOJLKZRRVUXQA-GFCCVEGCSA-N -1 0 393.783 3.180 20 5 GGBDRM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181952748 1430387620 /nfs/dbraw/zinc/38/76/20/1430387620.db2.gz BSYIKHORNRZFOO-UHFFFAOYSA-N -1 0 377.784 3.021 20 5 GGBDRM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000181981625 1430391686 /nfs/dbraw/zinc/39/16/86/1430391686.db2.gz WHORKCMMIJIAFV-LBPRGKRZSA-N -1 0 391.374 3.098 20 5 GGBDRM COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000182165942 1430423236 /nfs/dbraw/zinc/42/32/36/1430423236.db2.gz IQAXKEZOVXRZCX-LJQANCHMSA-N -1 0 379.372 3.223 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182485283 1430475300 /nfs/dbraw/zinc/47/53/00/1430475300.db2.gz UHHRGJUCVLLUFD-UHFFFAOYSA-N -1 0 375.362 3.059 20 5 GGBDRM COc1ccc2nc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])sc2c1 ZINC000182694549 1430519342 /nfs/dbraw/zinc/51/93/42/1430519342.db2.gz LZOZBZXFQZUMHZ-UHFFFAOYSA-N -1 0 393.446 3.198 20 5 GGBDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4cc([N+](=O)[O-])ccc4n3)ccc2O1 ZINC000183129629 1430622811 /nfs/dbraw/zinc/62/28/11/1430622811.db2.gz LZECQOPFPLPUDF-NSHDSACASA-N -1 0 385.401 3.267 20 5 GGBDRM O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183340614 1430682874 /nfs/dbraw/zinc/68/28/74/1430682874.db2.gz ISSZVWOQYXHCFB-UHFFFAOYSA-N -1 0 377.784 3.043 20 5 GGBDRM O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183598890 1430751118 /nfs/dbraw/zinc/75/11/18/1430751118.db2.gz GRSGBGSCJNLARY-NSHDSACASA-N -1 0 379.775 3.102 20 5 GGBDRM O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc([N+](=O)[O-])c([O-])c1 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Cc1cc(Br)ccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737231615 1442436185 /nfs/dbraw/zinc/43/61/85/1442436185.db2.gz QYWCETHVFUGXIE-UHFFFAOYSA-N -1 0 389.213 3.458 20 5 GGBDRM CCOc1cc(CCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC ZINC000736624528 1443088459 /nfs/dbraw/zinc/08/84/59/1443088459.db2.gz BKXOTYINMBVVNP-UHFFFAOYSA-N -1 0 398.423 3.227 20 5 GGBDRM Cc1nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc12 ZINC000826334831 1443125245 /nfs/dbraw/zinc/12/52/45/1443125245.db2.gz LGCLCMMLPUJGHD-UHFFFAOYSA-N -1 0 398.814 3.180 20 5 GGBDRM Cc1nnc(SCc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC000826337381 1443259907 /nfs/dbraw/zinc/25/99/07/1443259907.db2.gz MUHQPGIVVFODHN-UHFFFAOYSA-N -1 0 377.817 3.127 20 5 GGBDRM O=[N+]([O-])c1ccc(CCCCNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000738359060 1443270129 /nfs/dbraw/zinc/27/01/29/1443270129.db2.gz IZQNSTREKDRFQO-UHFFFAOYSA-N -1 0 379.833 3.320 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000823620206 1443311814 /nfs/dbraw/zinc/31/18/14/1443311814.db2.gz IFSQDWDVXRUDPS-UHFFFAOYSA-N -1 0 390.407 3.035 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCCCCC2)cc1 ZINC000823624751 1443341194 /nfs/dbraw/zinc/34/11/94/1443341194.db2.gz IFNNPIYOZDTAHA-UHFFFAOYSA-N -1 0 380.412 3.294 20 5 GGBDRM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)ccc1F ZINC000826260424 1443381696 /nfs/dbraw/zinc/38/16/96/1443381696.db2.gz NNIRGVQYGAOMRH-UHFFFAOYSA-N -1 0 376.735 3.128 20 5 GGBDRM CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000820908741 1443382606 /nfs/dbraw/zinc/38/26/06/1443382606.db2.gz PVBQQPJXULTARG-SNVBAGLBSA-N -1 0 389.803 3.093 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000819957565 1443396334 /nfs/dbraw/zinc/39/63/34/1443396334.db2.gz BEUZVWFLBUTHQK-UHFFFAOYSA-N -1 0 398.398 3.142 20 5 GGBDRM Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)c2cccc([N+](=O)[O-])c2n1 ZINC000826271416 1443418718 /nfs/dbraw/zinc/41/87/18/1443418718.db2.gz QGDNPKGHJMOJIB-UHFFFAOYSA-N -1 0 379.355 3.383 20 5 GGBDRM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000738369664 1443422595 /nfs/dbraw/zinc/42/25/95/1443422595.db2.gz LMUNSQXSNIIMKC-UHFFFAOYSA-N -1 0 393.329 3.318 20 5 GGBDRM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c([N+](=O)[O-])c(N3CC[C@H](C)[C@H]3C)c2)[C@H]1C ZINC000820728836 1443444399 /nfs/dbraw/zinc/44/43/99/1443444399.db2.gz ZDBFGEKMFQHTGN-ZOBORPQBSA-N -1 0 385.472 3.244 20 5 GGBDRM O=[N+]([O-])c1ccc(-c2cnn(CCCOc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000738361211 1443498118 /nfs/dbraw/zinc/49/81/18/1443498118.db2.gz WNGOHIXXAYFMJF-UHFFFAOYSA-N -1 0 391.391 3.108 20 5 GGBDRM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000826498619 1443508763 /nfs/dbraw/zinc/50/87/63/1443508763.db2.gz CWSDEAYLXZIKAU-KRWDZBQOSA-N -1 0 377.360 3.041 20 5 GGBDRM COc1cc(F)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737053223 1443509786 /nfs/dbraw/zinc/50/97/86/1443509786.db2.gz FZQRENVFTIGXON-VIFPVBQESA-N -1 0 388.359 3.104 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N[C@H](CCO)C3CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645504 1443600475 /nfs/dbraw/zinc/60/04/75/1443600475.db2.gz RVTFKUSZNXYJQC-MRXNPFEDSA-N -1 0 397.439 3.066 20 5 GGBDRM C[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351405 1443723461 /nfs/dbraw/zinc/72/34/61/1443723461.db2.gz OLBFFDRLSUWYDE-GFCCVEGCSA-N -1 0 395.423 3.070 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NCc3ccc(F)c(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000823645980 1443724193 /nfs/dbraw/zinc/72/41/93/1443724193.db2.gz YXEGHPLJOMCSEE-UHFFFAOYSA-N -1 0 383.318 3.213 20 5 GGBDRM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000735660603 1443725851 /nfs/dbraw/zinc/72/58/51/1443725851.db2.gz DXEGJVUUWFRMKP-UHFFFAOYSA-N -1 0 389.803 3.237 20 5 GGBDRM O=[N+]([O-])c1cc(N2CCC(OCCc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000826498175 1443763514 /nfs/dbraw/zinc/76/35/14/1443763514.db2.gz JYWPCKPQOWKBLZ-UHFFFAOYSA-N -1 0 394.435 3.003 20 5 GGBDRM O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1sccc1-c1nn[n-]n1 ZINC000826455479 1443819155 /nfs/dbraw/zinc/81/91/55/1443819155.db2.gz PTSHKIIZEQIFIQ-UHFFFAOYSA-N -1 0 384.299 3.108 20 5 GGBDRM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823066096 1443842010 /nfs/dbraw/zinc/84/20/10/1443842010.db2.gz LOTUFZBIJYHYRM-UHFFFAOYSA-N -1 0 390.812 3.159 20 5 GGBDRM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160127 1443982253 /nfs/dbraw/zinc/98/22/53/1443982253.db2.gz PKZRWKNBGCKJBI-SNVBAGLBSA-N -1 0 379.332 3.439 20 5 GGBDRM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc2cccnc21 ZINC000826451301 1443988028 /nfs/dbraw/zinc/98/80/28/1443988028.db2.gz ZVULYXRNGOYGLC-UHFFFAOYSA-N -1 0 395.766 3.229 20 5 GGBDRM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccccc1[N+](=O)[O-] ZINC000737264531 1444001517 /nfs/dbraw/zinc/00/15/17/1444001517.db2.gz SEKRYBAMBVLVMI-UHFFFAOYSA-N -1 0 393.382 3.407 20 5 GGBDRM O=[N+]([O-])c1ccc(Cl)c(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000823640083 1446116159 /nfs/dbraw/zinc/11/61/59/1446116159.db2.gz RJSMORNTWFTSQD-UHFFFAOYSA-N -1 0 399.720 3.454 20 5 GGBDRM COc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1-c1nn[n-]n1 ZINC000826192809 1446133893 /nfs/dbraw/zinc/13/38/93/1446133893.db2.gz CIKBNXGNHJODHE-UHFFFAOYSA-N -1 0 388.815 3.069 20 5 GGBDRM O=[N+]([O-])c1cnc(Oc2ccc(Br)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000823650892 1446417070 /nfs/dbraw/zinc/41/70/70/1446417070.db2.gz CYFQVTJUPYUCFC-UHFFFAOYSA-N -1 0 397.576 3.378 20 5 GGBDRM Cc1ccc(-c2nc(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])co2)cc1 ZINC000822214147 1446494396 /nfs/dbraw/zinc/49/43/96/1446494396.db2.gz RCUGLKNWGONLEU-UHFFFAOYSA-N -1 0 377.364 3.350 20 5 GGBDRM O=[N+]([O-])c1cccc([C@@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499683 1446524745 /nfs/dbraw/zinc/52/47/45/1446524745.db2.gz SECFMNRIZBOKRR-ZDUSSCGKSA-N -1 0 377.813 3.254 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825674063 1446535592 /nfs/dbraw/zinc/53/55/92/1446535592.db2.gz HHTQXWOMJRELQV-UHFFFAOYSA-N -1 0 384.421 3.448 20 5 GGBDRM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000826459706 1446561413 /nfs/dbraw/zinc/56/14/13/1446561413.db2.gz VWXHQAIGDLZQKB-UHFFFAOYSA-N -1 0 393.388 3.151 20 5 GGBDRM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000736679201 1446707082 /nfs/dbraw/zinc/70/70/82/1446707082.db2.gz NZVZHEAVNNYPPX-UHFFFAOYSA-N -1 0 392.828 3.233 20 5 GGBDRM COC(=O)C=Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821657749 1446733091 /nfs/dbraw/zinc/73/30/91/1446733091.db2.gz VGEOIDRIJWWRSQ-CRALRDPISA-N -1 0 394.391 3.134 20 5 GGBDRM Cc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OCC(F)F ZINC000737360886 1446828053 /nfs/dbraw/zinc/82/80/53/1446828053.db2.gz DAASKXXRJKDHNT-UHFFFAOYSA-N -1 0 376.323 3.471 20 5 GGBDRM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC1CCOCC1 ZINC000737280588 1446856182 /nfs/dbraw/zinc/85/61/82/1446856182.db2.gz MUUUJJFYCYPLBD-UHFFFAOYSA-N -1 0 396.407 3.385 20 5 GGBDRM O=[N+]([O-])c1cnc(Sc2nc(-c3ccccc3)cs2)c(-c2nnn[n-]2)c1 ZINC000823650827 1446883437 /nfs/dbraw/zinc/88/34/37/1446883437.db2.gz BPXZULYCROPNOD-UHFFFAOYSA-N -1 0 383.418 3.445 20 5 GGBDRM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000737280557 1446921874 /nfs/dbraw/zinc/92/18/74/1446921874.db2.gz MKJKKDHNYJOWOS-UHFFFAOYSA-N -1 0 396.407 3.385 20 5 GGBDRM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823319410 1446959120 /nfs/dbraw/zinc/95/91/20/1446959120.db2.gz UOIKYMGVZHSKNU-UHFFFAOYSA-N -1 0 379.163 3.334 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736193472 1446959881 /nfs/dbraw/zinc/95/98/81/1446959881.db2.gz RGVLHBNRABMQDY-SECBINFHSA-N -1 0 388.384 3.033 20 5 GGBDRM CC(=O)N(Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1)C(C)C ZINC000735461886 1446969120 /nfs/dbraw/zinc/96/91/20/1446969120.db2.gz SRUHXOFOXTWOSR-UHFFFAOYSA-N -1 0 395.423 3.275 20 5 GGBDRM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823546671 1446974889 /nfs/dbraw/zinc/97/48/89/1446974889.db2.gz CYYKFKFNFQONSV-XCVCLJGOSA-N -1 0 386.730 3.060 20 5 GGBDRM CC(C)c1ncc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)s1 ZINC000824364366 1447040810 /nfs/dbraw/zinc/04/08/10/1447040810.db2.gz CMHMBPPIWNSONY-UHFFFAOYSA-N -1 0 393.816 3.261 20 5 GGBDRM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000821118203 1447045951 /nfs/dbraw/zinc/04/59/51/1447045951.db2.gz ILCXGBQCQQZBLF-UHFFFAOYSA-N -1 0 395.423 3.168 20 5 GGBDRM CN1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000826029944 1447105678 /nfs/dbraw/zinc/10/56/78/1447105678.db2.gz YJPZYXMDCZDQIZ-NVXWUHKLSA-N -1 0 399.842 3.286 20 5 GGBDRM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)s1 ZINC000826260264 1447119037 /nfs/dbraw/zinc/11/90/37/1447119037.db2.gz DYEFCUBYCYVIIS-UHFFFAOYSA-N -1 0 378.801 3.359 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826293693 1447142520 /nfs/dbraw/zinc/14/25/20/1447142520.db2.gz YPGGTACFWBZMHO-UHFFFAOYSA-N -1 0 395.423 3.280 20 5 GGBDRM COC(=O)C=Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821657750 1447183444 /nfs/dbraw/zinc/18/34/44/1447183444.db2.gz VGEOIDRIJWWRSQ-UPZNUWHASA-N -1 0 394.391 3.134 20 5 GGBDRM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824436557 1447189260 /nfs/dbraw/zinc/18/92/60/1447189260.db2.gz UGPAYCKJYBABFY-NSHDSACASA-N -1 0 392.379 3.041 20 5 GGBDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000737294804 1447233028 /nfs/dbraw/zinc/23/30/28/1447233028.db2.gz QGMRXSHXBUJAKR-UHFFFAOYSA-N -1 0 395.423 3.228 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NCCSCC(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000826499624 1447298096 /nfs/dbraw/zinc/29/80/96/1447298096.db2.gz QCPPRUFTLXWCNN-UHFFFAOYSA-N -1 0 399.358 3.031 20 5 GGBDRM Cc1ccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822230261 1449084600 /nfs/dbraw/zinc/08/46/00/1449084600.db2.gz AQAWERQDXMOXLM-CHWSQXEVSA-N -1 0 397.391 3.155 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N3CC=C(C(F)(F)F)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499347 1449124412 /nfs/dbraw/zinc/12/44/12/1449124412.db2.gz FNRHQWSOZYTAJU-UHFFFAOYSA-N -1 0 391.313 3.022 20 5 GGBDRM O=[N+]([O-])c1ccc(CCCCNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000738359023 1449202825 /nfs/dbraw/zinc/20/28/25/1449202825.db2.gz ILIDLXNFWVSSTC-UHFFFAOYSA-N -1 0 397.464 3.084 20 5 GGBDRM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826349993 1449203849 /nfs/dbraw/zinc/20/38/49/1449203849.db2.gz CMCVIWKTKPOZGL-UHFFFAOYSA-N -1 0 378.801 3.359 20 5 GGBDRM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nc2ccccc2n1C(F)F ZINC000823630123 1449255218 /nfs/dbraw/zinc/25/52/18/1449255218.db2.gz SEWXUTWKCUWLJP-UHFFFAOYSA-N -1 0 390.335 3.066 20 5 GGBDRM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736136784 1449274273 /nfs/dbraw/zinc/27/42/73/1449274273.db2.gz HLAFHWPZJJAGSI-QMMMGPOBSA-N -1 0 384.787 3.478 20 5 GGBDRM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(O)c1 ZINC000820449945 1449277959 /nfs/dbraw/zinc/27/79/59/1449277959.db2.gz FAECKMFDSITOIO-JTQLQIEISA-N -1 0 377.364 3.202 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000826497457 1449289166 /nfs/dbraw/zinc/28/91/66/1449289166.db2.gz HTQUPOHXCPJZHG-SUMWQHHRSA-N -1 0 380.408 3.355 20 5 GGBDRM O=[N+]([O-])c1ccc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826498587 1449309788 /nfs/dbraw/zinc/30/97/88/1449309788.db2.gz BLARKTPUFQDVHW-UGSOOPFHSA-N -1 0 380.408 3.355 20 5 GGBDRM Cn1c2ccccc2nc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822596177 1449345179 /nfs/dbraw/zinc/34/51/79/1449345179.db2.gz IJAAQKBUJGYRJR-MRXNPFEDSA-N -1 0 390.407 3.003 20 5 GGBDRM CC(C)Oc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000820160656 1449505563 /nfs/dbraw/zinc/50/55/63/1449505563.db2.gz OWPVVQCQBSMERV-YHYXMXQVSA-N -1 0 394.391 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O=C([O-])C1CC2(C1)CC[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])O2 ZINC001594906406 954678648 /nfs/dbraw/zinc/67/86/48/954678648.db2.gz ABSHKNIUFFLAOL-QMJNDHNRSA-N -1 0 385.214 3.182 20 5 GGBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)Cc2ccccc21 ZINC001594948755 954941377 /nfs/dbraw/zinc/94/13/77/954941377.db2.gz KNHMUBKWMNECDH-CQSZACIVSA-N -1 0 392.314 3.020 20 5 GGBDRM O=C([O-])[C@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)Cc2ccccc21 ZINC001594954647 954978087 /nfs/dbraw/zinc/97/80/87/954978087.db2.gz PQOFKKIDFITINZ-AWEZNQCLSA-N -1 0 384.779 3.380 20 5 GGBDRM O=C([O-])[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc21 ZINC001594954839 954982613 /nfs/dbraw/zinc/98/26/13/954982613.db2.gz BLVICIVQGQOCIN-GOSISDBHSA-N -1 0 379.372 3.434 20 5 GGBDRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594964257 955034278 /nfs/dbraw/zinc/03/42/78/955034278.db2.gz FJGNBTCXONCACU-SFHVURJKSA-N -1 0 379.372 3.434 20 5 GGBDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC001594536847 955582777 /nfs/dbraw/zinc/58/27/77/955582777.db2.gz NEOXGLCSSUJMRT-VHSXEESVSA-N -1 0 399.234 3.330 20 5 GGBDRM CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)CC(=O)[O-] ZINC001603046497 972110078 /nfs/dbraw/zinc/11/00/78/972110078.db2.gz MEKVLUVVAIJQJW-HNNXBMFYSA-N -1 0 391.468 3.452 20 5 GGBDRM COC(=O)c1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)c(C)c([N+](=O)[O-])c1 ZINC001593871819 955643026 /nfs/dbraw/zinc/64/30/26/955643026.db2.gz CEQAZVUJPIGLCQ-UHFFFAOYSA-N -1 0 378.381 3.054 20 5 GGBDRM C[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001589050522 955655978 /nfs/dbraw/zinc/65/59/78/955655978.db2.gz DTVRIWDYHMABCG-JCGIZDLHSA-N -1 0 397.431 3.208 20 5 GGBDRM C[C@@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001589050691 955659520 /nfs/dbraw/zinc/65/95/20/955659520.db2.gz MIUHJJFAPWEKMR-MYZSUADSSA-N -1 0 377.441 3.133 20 5 GGBDRM C[C@H](CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001589051888 955670123 /nfs/dbraw/zinc/67/01/23/955670123.db2.gz KOYUYEPDOAATPM-OAUYIBNBSA-N -1 0 383.404 3.311 20 5 GGBDRM C[C@](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC001589059544 955718060 /nfs/dbraw/zinc/71/80/60/955718060.db2.gz BCGPVVAPVWEMLE-QGZVFWFLSA-N -1 0 396.321 3.386 20 5 GGBDRM COC(=O)/C=C/c1ccc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])c1 ZINC000848637927 955772908 /nfs/dbraw/zinc/77/29/08/955772908.db2.gz NMNKRXNUXOKCFG-NMOWXUQZSA-N -1 0 376.409 3.328 20 5 GGBDRM CC(C)C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000852911962 955852820 /nfs/dbraw/zinc/85/28/20/955852820.db2.gz KNMIATQOPSXIBC-JTQLQIEISA-N -1 0 394.396 3.140 20 5 GGBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114870 956088638 /nfs/dbraw/zinc/08/86/38/956088638.db2.gz JEPBRBRORAOAFS-KPXOXKRLSA-N -1 0 399.241 3.223 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115118 956089763 /nfs/dbraw/zinc/08/97/63/956089763.db2.gz OCKICBBRSLUCLU-DVVUODLYSA-N -1 0 399.241 3.223 20 5 GGBDRM C[C@@](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)(C(=O)[O-])c1ccccc1 ZINC001589117390 956102142 /nfs/dbraw/zinc/10/21/42/956102142.db2.gz AHFOYJWUMHTTLZ-QHCPKHFHSA-N -1 0 386.407 3.411 20 5 GGBDRM C[C@](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)(C(=O)[O-])c1ccccc1 ZINC001589117389 956102216 /nfs/dbraw/zinc/10/22/16/956102216.db2.gz AHFOYJWUMHTTLZ-HSZRJFAPSA-N -1 0 386.407 3.411 20 5 GGBDRM C[C@@](NC(=O)c1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1 ZINC001589117993 956107256 /nfs/dbraw/zinc/10/72/56/956107256.db2.gz UIHBBUKDLDOZAX-INIZCTEOSA-N -1 0 393.193 3.087 20 5 GGBDRM C[C@@](NC(=O)c1sc(Br)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589121132 956122066 /nfs/dbraw/zinc/12/20/66/956122066.db2.gz FGIRJTBLAPWLRK-AWEZNQCLSA-N -1 0 399.222 3.149 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589168296 956441064 /nfs/dbraw/zinc/44/10/64/956441064.db2.gz ZAVJZSVXPLEURO-RFAUZJTJSA-N -1 0 396.758 3.097 20 5 GGBDRM Nc1c(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(Cl)cc1[N+](=O)[O-] ZINC001594662696 956545414 /nfs/dbraw/zinc/54/54/14/956545414.db2.gz AJVSCBMDJIUZGM-VXGBXAGGSA-N -1 0 390.783 3.265 20 5 GGBDRM O=C([O-])c1ccc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2Br)o1 ZINC001594674112 956643344 /nfs/dbraw/zinc/64/33/44/956643344.db2.gz OCWGSNKIFTVESC-GQCTYLIASA-N -1 0 396.149 3.405 20 5 GGBDRM O=C([O-])c1cncc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001594688366 956729243 /nfs/dbraw/zinc/72/92/43/956729243.db2.gz BZTMXXWQOAWKDO-UHFFFAOYSA-N -1 0 398.297 3.148 20 5 GGBDRM O=C([O-])[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC001594689551 956738066 /nfs/dbraw/zinc/73/80/66/956738066.db2.gz XDXVCSKLWWZZKJ-MRXNPFEDSA-N -1 0 380.759 3.262 20 5 GGBDRM O=C([O-])[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC001594692479 956758188 /nfs/dbraw/zinc/75/81/88/956758188.db2.gz RWZCCVHEVBJJBQ-CYBMUJFWSA-N -1 0 389.795 3.265 20 5 GGBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC001594705647 956839116 /nfs/dbraw/zinc/83/91/16/956839116.db2.gz YOKBSMHEVBWIKG-AEFFLSMTSA-N -1 0 379.372 3.048 20 5 GGBDRM O=C([O-])[C@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc21 ZINC001594705650 956839916 /nfs/dbraw/zinc/83/99/16/956839916.db2.gz YOKBSMHEVBWIKG-WMZOPIPTSA-N -1 0 379.372 3.048 20 5 GGBDRM CCOc1cc(N2CCN(Cc3ccc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000903685999 956866106 /nfs/dbraw/zinc/86/61/06/956866106.db2.gz CDDHYJUMPMLAKH-UHFFFAOYSA-N -1 0 391.449 3.075 20 5 GGBDRM O=C([O-])c1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC001594714992 956917643 /nfs/dbraw/zinc/91/76/43/956917643.db2.gz SXBIBEIIMCSAIA-UHFFFAOYSA-N -1 0 386.407 3.169 20 5 GGBDRM CSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000013177457 956957548 /nfs/dbraw/zinc/95/75/48/956957548.db2.gz DTJDJVUAEPWXKE-ZDUSSCGKSA-N -1 0 378.381 3.402 20 5 GGBDRM CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000013178322 956959135 /nfs/dbraw/zinc/95/91/35/956959135.db2.gz VFHOTQRSGLNOPL-AWEZNQCLSA-N -1 0 376.340 3.078 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ccccc21 ZINC001594726268 957007436 /nfs/dbraw/zinc/00/74/36/957007436.db2.gz KSVJERRVKGEUGB-CHWSQXEVSA-N -1 0 392.314 3.239 20 5 GGBDRM O=C([O-])c1cc(Br)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066145488 957643628 /nfs/dbraw/zinc/64/36/28/957643628.db2.gz BBSKRHYWLMKNGP-UHFFFAOYSA-N -1 0 396.149 3.040 20 5 GGBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594023618 957687381 /nfs/dbraw/zinc/68/73/81/957687381.db2.gz HERYXIVOPRGSHO-ZDUSSCGKSA-N -1 0 396.465 3.050 20 5 GGBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594023616 957687963 /nfs/dbraw/zinc/68/79/63/957687963.db2.gz HERYXIVOPRGSHO-CYBMUJFWSA-N -1 0 396.465 3.050 20 5 GGBDRM C[C@](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)(C(=O)[O-])c1ccccc1 ZINC001603184619 972287718 /nfs/dbraw/zinc/28/77/18/972287718.db2.gz GBIJEFVMFVBPPM-OAQYLSRUSA-N -1 0 393.399 3.103 20 5 GGBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C(=O)[O-] ZINC001603184824 972288585 /nfs/dbraw/zinc/28/85/85/972288585.db2.gz KANJWCFPTXXHHH-NSHDSACASA-N -1 0 391.811 3.311 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1SC ZINC001594067678 958153491 /nfs/dbraw/zinc/15/34/91/958153491.db2.gz MIZQBACMQMEVGT-LLVKDONJSA-N -1 0 382.438 3.185 20 5 GGBDRM Cc1ccc([C@H](C)OC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001594377626 958605362 /nfs/dbraw/zinc/60/53/62/958605362.db2.gz HEAALZYUJFBLCJ-SCLBCKFNSA-N -1 0 397.387 3.227 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1C ZINC001594377535 958605760 /nfs/dbraw/zinc/60/57/60/958605760.db2.gz AIMSEQZPUCWJMT-UHFFFAOYSA-N -1 0 376.390 3.296 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594381031 958619789 /nfs/dbraw/zinc/61/97/89/958619789.db2.gz CCDOCHNQJLMSGT-HNNXBMFYSA-N -1 0 384.388 3.277 20 5 GGBDRM Cc1cccc([C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594391438 958728694 /nfs/dbraw/zinc/72/86/94/958728694.db2.gz DXSKDVQIVSGCMM-KRWDZBQOSA-N -1 0 392.795 3.268 20 5 GGBDRM Cc1cccc([C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C(=O)[O-])c1 ZINC001594397944 958791120 /nfs/dbraw/zinc/79/11/20/958791120.db2.gz PTHFANIHOORKAF-AWEZNQCLSA-N -1 0 378.772 3.086 20 5 GGBDRM C[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239672 972382009 /nfs/dbraw/zinc/38/20/09/972382009.db2.gz WGAIEQLLNUNLJT-INTQDDNPSA-N -1 0 386.351 3.061 20 5 GGBDRM C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001588550671 959011689 /nfs/dbraw/zinc/01/16/89/959011689.db2.gz APJKWOZKEQLAJA-AFAVFJNCSA-N -1 0 386.379 3.164 20 5 GGBDRM CC(C)C[C@H](NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573539708 959188277 /nfs/dbraw/zinc/18/82/77/959188277.db2.gz WEEJWPSYZNMRPS-DZKIICNBSA-N -1 0 391.468 3.306 20 5 GGBDRM O=C([O-])c1cnc(Oc2ccccc2I)c([N+](=O)[O-])c1 ZINC000162320032 959208282 /nfs/dbraw/zinc/20/82/82/959208282.db2.gz JJSMIPKFKVSNMH-UHFFFAOYSA-N -1 0 386.101 3.085 20 5 GGBDRM C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001594201921 959255306 /nfs/dbraw/zinc/25/53/06/959255306.db2.gz LVVGLJAAHCKHQR-XOKHGSTOSA-N -1 0 383.404 3.166 20 5 GGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2ccccc2I)n1 ZINC000166611866 959311973 /nfs/dbraw/zinc/31/19/73/959311973.db2.gz RFEKTXFNLYZLQI-UHFFFAOYSA-N -1 0 386.101 3.085 20 5 GGBDRM C[C@H](CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001573594310 959417523 /nfs/dbraw/zinc/41/75/23/959417523.db2.gz 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O=C([O-])c1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)c1[N+](=O)[O-] ZINC000593946804 974988503 /nfs/dbraw/zinc/98/85/03/974988503.db2.gz LFTVJCPCMUAKGC-UHFFFAOYSA-N -1 0 379.376 3.015 20 5 GGBDRM O=C([O-])c1ccnc(N2CCN(c3ccc(Cl)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000594737327 974991168 /nfs/dbraw/zinc/99/11/68/974991168.db2.gz ZIMXVKHMCGXZRQ-UHFFFAOYSA-N -1 0 397.218 3.321 20 5 GGBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000594721729 974991462 /nfs/dbraw/zinc/99/14/62/974991462.db2.gz YRPFDLMIRQJZOY-UHFFFAOYSA-N -1 0 382.438 3.028 20 5 GGBDRM O=C([O-])[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000595246222 974993246 /nfs/dbraw/zinc/99/32/46/974993246.db2.gz XMIOWYIBAIRSEW-KSZLIROESA-N -1 0 389.452 3.279 20 5 GGBDRM O=C([O-])[C@@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H]2CCCC[C@H]12 ZINC000595246237 974993251 /nfs/dbraw/zinc/99/32/51/974993251.db2.gz XVXLKHUEZWFOOI-NUJGCVRESA-N -1 0 385.420 3.041 20 5 GGBDRM C[C@](CCF)(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000595253699 974994362 /nfs/dbraw/zinc/99/43/62/974994362.db2.gz WFNGRHNEVCZKQQ-LJQANCHMSA-N -1 0 389.383 3.140 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000597161737 975000049 /nfs/dbraw/zinc/00/00/49/975000049.db2.gz NQJFAQUNSFZUJG-NVXWUHKLSA-N -1 0 388.351 3.082 20 5 GGBDRM Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598584573 975000476 /nfs/dbraw/zinc/00/04/76/975000476.db2.gz ODOWVKFBDZTHID-UHFFFAOYSA-N -1 0 392.433 3.190 20 5 GGBDRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598662249 975001684 /nfs/dbraw/zinc/00/16/84/975001684.db2.gz UQYRVLPHWKKSGW-WMZOPIPTSA-N -1 0 383.404 3.214 20 5 GGBDRM C[C@@H]1CCCN(c2ccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000598668820 975001956 /nfs/dbraw/zinc/00/19/56/975001956.db2.gz DESGZXCCWHGPJN-PBHICJAKSA-N -1 0 389.452 3.301 20 5 GGBDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000603552482 975013338 /nfs/dbraw/zinc/01/33/38/975013338.db2.gz MPVIORSPTWJRFZ-CYBMUJFWSA-N -1 0 398.824 3.051 20 5 GGBDRM Cc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000603552483 975013708 /nfs/dbraw/zinc/01/37/08/975013708.db2.gz MPVIORSPTWJRFZ-ZDUSSCGKSA-N -1 0 398.824 3.051 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1SC ZINC000611478458 975018234 /nfs/dbraw/zinc/01/82/34/975018234.db2.gz CSLOIMNMNZYNDX-LLVKDONJSA-N -1 0 396.465 3.288 20 5 GGBDRM O=C([O-])CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000610846016 975018292 /nfs/dbraw/zinc/01/82/92/975018292.db2.gz SPQNELULYMYWPD-UHFFFAOYSA-N -1 0 375.425 3.055 20 5 GGBDRM C[C@@H]1CCCN(c2ccc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000611526556 975019115 /nfs/dbraw/zinc/01/91/15/975019115.db2.gz UECSAEWYSZZIIN-GDBMZVCRSA-N -1 0 389.452 3.301 20 5 GGBDRM CC(C)OCc1nc([C@H](C)Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])no1 ZINC001591734842 975720084 /nfs/dbraw/zinc/72/00/84/975720084.db2.gz NXVCHBZMOHCJNQ-QMMMGPOBSA-N -1 0 384.776 3.428 20 5 GGBDRM CC(C)Oc1cc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC001591751670 975806917 /nfs/dbraw/zinc/80/69/17/975806917.db2.gz YTLRAWFQOJSMJU-MRXNPFEDSA-N -1 0 394.330 3.216 20 5 GGBDRM CC(C)Oc1cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)ccc1[N+](=O)[O-] ZINC001591751690 975807790 /nfs/dbraw/zinc/80/77/90/975807790.db2.gz ZDBHJQNRVAZAHR-UHFFFAOYSA-N -1 0 393.421 3.498 20 5 GGBDRM CC(C)Oc1cc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001591752261 975811812 /nfs/dbraw/zinc/81/18/12/975811812.db2.gz QNOIGABBSGZXJJ-UHFFFAOYSA-N -1 0 388.376 3.122 20 5 GGBDRM CC(C)Oc1cc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001591752041 975811849 /nfs/dbraw/zinc/81/18/49/975811849.db2.gz NJWDUXFIILMKMM-OAHLLOKOSA-N -1 0 384.388 3.286 20 5 GGBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001591829576 976093259 /nfs/dbraw/zinc/09/32/59/976093259.db2.gz RBRUOFYKSWOLIT-UHFFFAOYSA-N -1 0 375.406 3.119 20 5 GGBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001591829694 976094749 /nfs/dbraw/zinc/09/47/49/976094749.db2.gz YOKSTANRPSMSFN-SNVBAGLBSA-N -1 0 383.422 3.321 20 5 GGBDRM CC(C)c1n[nH]c(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1[N+](=O)[O-] ZINC001591920673 976389509 /nfs/dbraw/zinc/38/95/09/976389509.db2.gz FLGVFXRXDJKKFY-ZDUSSCGKSA-N -1 0 380.445 3.375 20 5 GGBDRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001591941913 976464086 /nfs/dbraw/zinc/46/40/86/976464086.db2.gz JNBSXNOYDLIJKL-JCGIZDLHSA-N -1 0 390.436 3.203 20 5 GGBDRM CC(C)n1cc(Br)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001592122881 976938089 /nfs/dbraw/zinc/93/80/89/976938089.db2.gz WSDGFTMULALKPE-UHFFFAOYSA-N -1 0 397.185 3.085 20 5 GGBDRM CC(C)n1cc2c(n1)[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCC2 ZINC001592131705 976969390 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YQXCLODVCTVEHD-NWDGAFQWSA-N -1 0 381.429 3.326 20 5 GGBDRM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001592486802 978270498 /nfs/dbraw/zinc/27/04/98/978270498.db2.gz CWTWBBAMIDDIDO-LBPRGKRZSA-N -1 0 381.429 3.327 20 5 GGBDRM C[C@](CCF)(NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001592496012 978294707 /nfs/dbraw/zinc/29/47/07/978294707.db2.gz RKDWEIITEZNMMX-CYBMUJFWSA-N -1 0 398.334 3.025 20 5 GGBDRM Cc1cc(C)cc(C2=N/C(=C\c3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000731569739 978299870 /nfs/dbraw/zinc/29/98/70/978299870.db2.gz SKXPRWZHOICITN-NVNXTCNLSA-N -1 0 396.355 3.020 20 5 GGBDRM CC[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(OC)cc1 ZINC000736929078 978367392 /nfs/dbraw/zinc/36/73/92/978367392.db2.gz WJHKLDOKZBSEFB-INIZCTEOSA-N -1 0 387.344 3.120 20 5 GGBDRM C[C@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737707434 978434816 /nfs/dbraw/zinc/43/48/16/978434816.db2.gz UYSVTSOZLGUWRZ-JTQLQIEISA-N -1 0 378.768 3.490 20 5 GGBDRM CCCC1=C(C(=O)[O-])[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1CC1CC1 ZINC000737811893 978446349 /nfs/dbraw/zinc/44/63/49/978446349.db2.gz GEMCGGGOEARHNW-MRXNPFEDSA-N -1 0 395.362 3.488 20 5 GGBDRM CCCC1=C(C(=O)[O-])[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1CC1CC1 ZINC000737811890 978446458 /nfs/dbraw/zinc/44/64/58/978446458.db2.gz GEMCGGGOEARHNW-INIZCTEOSA-N -1 0 395.362 3.488 20 5 GGBDRM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000737977880 978463535 /nfs/dbraw/zinc/46/35/35/978463535.db2.gz OKMZZSXNGOSDDC-UHFFFAOYSA-N -1 0 399.190 3.070 20 5 GGBDRM COc1ccc(Br)c(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000738084275 978475648 /nfs/dbraw/zinc/47/56/48/978475648.db2.gz KIYOJURLAGBNEG-UHFFFAOYSA-N -1 0 382.170 3.071 20 5 GGBDRM C[C@H](CN(Cc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001592601828 978537711 /nfs/dbraw/zinc/53/77/11/978537711.db2.gz FBXHCRBOVPFMGN-OAHLLOKOSA-N -1 0 386.404 3.113 20 5 GGBDRM C[C@@H](CN(Cc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001592601827 978537799 /nfs/dbraw/zinc/53/77/99/978537799.db2.gz FBXHCRBOVPFMGN-HNNXBMFYSA-N -1 0 386.404 3.113 20 5 GGBDRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001592602207 978538949 /nfs/dbraw/zinc/53/89/49/978538949.db2.gz KPOZWPNPFSOTTO-GFCCVEGCSA-N -1 0 392.358 3.165 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000738559805 978559312 /nfs/dbraw/zinc/55/93/12/978559312.db2.gz BERKTSRYRHAURT-LLVKDONJSA-N -1 0 399.222 3.365 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000738559808 978559366 /nfs/dbraw/zinc/55/93/66/978559366.db2.gz BERKTSRYRHAURT-NSHDSACASA-N -1 0 399.222 3.365 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@H](c2nccs2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000738674058 978586264 /nfs/dbraw/zinc/58/62/64/978586264.db2.gz XNQWXZZQOCCNGR-HNNXBMFYSA-N -1 0 383.385 3.269 20 5 GGBDRM O=C([O-])c1ccnc(N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000738691037 978588635 /nfs/dbraw/zinc/58/86/35/978588635.db2.gz DAIXVPOOHOQFDQ-BQBZGAKWSA-N -1 0 387.236 3.255 20 5 GGBDRM O=C([O-])c1ccnc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1[N+](=O)[O-] ZINC000738692238 978589281 /nfs/dbraw/zinc/58/92/81/978589281.db2.gz NCKYMAJJFXTLFO-UHFFFAOYSA-N -1 0 391.330 3.066 20 5 GGBDRM O=C([O-])c1ccnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000738694583 978592222 /nfs/dbraw/zinc/59/22/22/978592222.db2.gz OXTAWNHAOGBVFQ-ZDUSSCGKSA-N -1 0 381.747 3.058 20 5 GGBDRM C[C@@H](CNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001592663620 978647842 /nfs/dbraw/zinc/64/78/42/978647842.db2.gz DTVRIWDYHMABCG-BMGDILEWSA-N -1 0 397.431 3.208 20 5 GGBDRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000739797155 978654489 /nfs/dbraw/zinc/65/44/89/978654489.db2.gz TYYIGTSFCUUVTP-UHFFFAOYSA-N -1 0 396.371 3.079 20 5 GGBDRM O=C([O-])c1cc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc([N+](=O)[O-])c1 ZINC000740081389 978666431 /nfs/dbraw/zinc/66/64/31/978666431.db2.gz NESRAZLWKBSKSS-UHFFFAOYSA-N -1 0 388.351 3.119 20 5 GGBDRM Cc1oc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1C(=O)[O-] ZINC000767092879 978734417 /nfs/dbraw/zinc/73/44/17/978734417.db2.gz CAKIRUXTPZXMLQ-UHFFFAOYSA-N -1 0 387.392 3.067 20 5 GGBDRM O=C([O-])c1cccc2c1CCCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776655695 978767035 /nfs/dbraw/zinc/76/70/35/978767035.db2.gz BTTUBZQADJXVSY-UHFFFAOYSA-N -1 0 396.808 3.088 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000776682322 978769972 /nfs/dbraw/zinc/76/99/72/978769972.db2.gz ADFKDGYZMGTJDU-OAHLLOKOSA-N -1 0 398.824 3.003 20 5 GGBDRM O=C([O-])c1cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc([N+](=O)[O-])c1 ZINC000799244756 978838167 /nfs/dbraw/zinc/83/81/67/978838167.db2.gz KZFWRCLGOOKIFJ-UHFFFAOYSA-N -1 0 385.332 3.006 20 5 GGBDRM C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000818267558 978907967 /nfs/dbraw/zinc/90/79/67/978907967.db2.gz CRVVIIKXXORJDK-ZCMXANCESA-N -1 0 379.376 3.446 20 5 GGBDRM CC[C@H](C)c1nc(C)c(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)n1 ZINC001595016295 979070811 /nfs/dbraw/zinc/07/08/11/979070811.db2.gz SWXHYELBVLEORF-JTQLQIEISA-N -1 0 386.408 3.395 20 5 GGBDRM O=C([O-])c1ccc(OCCOC(=O)c2cc(F)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000833322603 979158380 /nfs/dbraw/zinc/15/83/80/979158380.db2.gz OVEUIJSQVMLAMJ-UHFFFAOYSA-N -1 0 383.715 3.321 20 5 GGBDRM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592721421 979220077 /nfs/dbraw/zinc/22/00/77/979220077.db2.gz DCWWTTHTNYIWHD-JTQLQIEISA-N -1 0 398.824 3.028 20 5 GGBDRM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833685665 979222864 /nfs/dbraw/zinc/22/28/64/979222864.db2.gz PDVWEQVJUZIWEK-ZDUSSCGKSA-N -1 0 379.413 3.129 20 5 GGBDRM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC001592728123 979234607 /nfs/dbraw/zinc/23/46/07/979234607.db2.gz ADMDPVHULISOBL-SECBINFHSA-N -1 0 396.197 3.330 20 5 GGBDRM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC001592730628 979250469 /nfs/dbraw/zinc/25/04/69/979250469.db2.gz YAQSYOCSMSPXJB-VIFPVBQESA-N -1 0 396.197 3.330 20 5 GGBDRM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC001592730625 979250481 /nfs/dbraw/zinc/25/04/81/979250481.db2.gz YAQSYOCSMSPXJB-SECBINFHSA-N -1 0 396.197 3.330 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000844206520 979352483 /nfs/dbraw/zinc/35/24/83/979352483.db2.gz KDZLMYDYBDBTEW-UHFFFAOYSA-N -1 0 389.839 3.198 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000844206956 979355081 /nfs/dbraw/zinc/35/50/81/979355081.db2.gz QVRBUCWVMGAEAT-QPJJXVBHSA-N -1 0 381.432 3.057 20 5 GGBDRM COc1ccc(C(=O)C2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000844206954 979355093 /nfs/dbraw/zinc/35/50/93/979355093.db2.gz QTHMMFVYJVZQPS-UHFFFAOYSA-N -1 0 398.415 3.330 20 5 GGBDRM CCc1ccc(CN2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)s1 ZINC000844207680 979356790 /nfs/dbraw/zinc/35/67/90/979356790.db2.gz BFTVVBNPUSOSOF-UHFFFAOYSA-N -1 0 389.477 3.168 20 5 GGBDRM O=C([O-])/C=C/c1ccc(NCc2ccccc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000844207580 979356931 /nfs/dbraw/zinc/35/69/31/979356931.db2.gz IFSNVKFSVSKLBC-SOFGYWHQSA-N -1 0 383.404 3.141 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(O)(c3cccc(C)c3C)CC2)n1 ZINC000844208352 979357941 /nfs/dbraw/zinc/35/79/41/979357941.db2.gz DTBXDYGJEFYWSU-UHFFFAOYSA-N -1 0 385.420 3.101 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000844208888 979359939 /nfs/dbraw/zinc/35/99/39/979359939.db2.gz QEEGEMGWWHADKV-KRWDZBQOSA-N -1 0 389.383 3.086 20 5 GGBDRM CN(Cc1nc(C(F)(F)F)cs1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844212385 979368984 /nfs/dbraw/zinc/36/89/84/979368984.db2.gz HVPVSBMFNZOXLY-UHFFFAOYSA-N -1 0 375.328 3.334 20 5 GGBDRM O=C([O-])/C=C\c1ccc(NCc2ccncc2OC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000844213794 979372453 /nfs/dbraw/zinc/37/24/53/979372453.db2.gz MRVSICBVFXIUQD-HKLWWIALSA-N -1 0 399.403 3.115 20 5 GGBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000844213949 979374047 /nfs/dbraw/zinc/37/40/47/979374047.db2.gz PTCVCCABTHETRZ-ZDUSSCGKSA-N -1 0 383.404 3.211 20 5 GGBDRM O=C([O-])/C=C/c1ccc(NC2CCC(O)(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000844215493 979376969 /nfs/dbraw/zinc/37/69/69/979376969.db2.gz QEVBAESLDZZMOX-GQCTYLIASA-N -1 0 383.404 3.330 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC(CO)(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000844218218 979381999 /nfs/dbraw/zinc/38/19/99/979381999.db2.gz OCUGRSRDICSAIH-UHFFFAOYSA-N -1 0 384.432 3.044 20 5 GGBDRM CCC(CC)n1nc(C)cc1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001595126591 979518880 /nfs/dbraw/zinc/51/88/80/979518880.db2.gz WYAVVTZHDUUSQW-IBGZPJMESA-N -1 0 388.424 3.191 20 5 GGBDRM CC[C@](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001595138351 979581668 /nfs/dbraw/zinc/58/16/68/979581668.db2.gz HPNFNCJRTMVBTC-GOSISDBHSA-N -1 0 392.358 3.235 20 5 GGBDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001592846698 979621772 /nfs/dbraw/zinc/62/17/72/979621772.db2.gz BBCKQJUAZLSOHV-QGZVFWFLSA-N -1 0 380.759 3.203 20 5 GGBDRM CC[C@](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)(C(=O)[O-])c1ccccc1 ZINC001595147282 979626031 /nfs/dbraw/zinc/62/60/31/979626031.db2.gz PVSQWXPJARGGST-HXUWFJFHSA-N -1 0 383.404 3.053 20 5 GGBDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001592847814 979627505 /nfs/dbraw/zinc/62/75/05/979627505.db2.gz XVUIEBWZERLQJM-QKLQHJQFSA-N -1 0 386.379 3.040 20 5 GGBDRM C[C@](Cc1ccc(F)cc1)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001592847817 979627826 /nfs/dbraw/zinc/62/78/26/979627826.db2.gz XVUIEBWZERLQJM-SQGPQFPESA-N -1 0 386.379 3.040 20 5 GGBDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001592849046 979634816 /nfs/dbraw/zinc/63/48/16/979634816.db2.gz ZXZKWVLNCLNIPF-QGZVFWFLSA-N -1 0 380.759 3.203 20 5 GGBDRM CC[C@](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595160249 979683393 /nfs/dbraw/zinc/68/33/93/979683393.db2.gz DEZSVOGPFLFCCT-GOSISDBHSA-N -1 0 376.796 3.411 20 5 GGBDRM CC[C@@](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595160250 979683565 /nfs/dbraw/zinc/68/35/65/979683565.db2.gz DEZSVOGPFLFCCT-SFHVURJKSA-N -1 0 376.796 3.411 20 5 GGBDRM CC[C@@](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595163057 979692866 /nfs/dbraw/zinc/69/28/66/979692866.db2.gz KEGXMUMBCFKAPT-SFHVURJKSA-N -1 0 376.796 3.411 20 5 GGBDRM C[C@@H](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1)C(=O)[O-] ZINC001592872316 979728423 /nfs/dbraw/zinc/72/84/23/979728423.db2.gz HPWOQCSPLPVSDS-NSHDSACASA-N -1 0 389.383 3.315 20 5 GGBDRM Cc1cc(F)cc(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)c1[N+](=O)[O-] ZINC000864167759 979793316 /nfs/dbraw/zinc/79/33/16/979793316.db2.gz DMIWMVXFBYGZFL-UHFFFAOYSA-N -1 0 393.396 3.217 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000864198937 979872036 /nfs/dbraw/zinc/87/20/36/979872036.db2.gz OUDXWTCRELHINL-QGZVFWFLSA-N -1 0 375.406 3.092 20 5 GGBDRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000864229682 979925178 /nfs/dbraw/zinc/92/51/78/979925178.db2.gz WVEKCQZKUFMROI-QGZVFWFLSA-N -1 0 397.431 3.449 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001595210998 979987340 /nfs/dbraw/zinc/98/73/40/979987340.db2.gz AWMOUOCKSIPYFY-QRWLVFNGSA-N -1 0 385.420 3.065 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001595210996 979987358 /nfs/dbraw/zinc/98/73/58/979987358.db2.gz AWMOUOCKSIPYFY-FOIQADDNSA-N -1 0 385.420 3.065 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC001595211573 979993020 /nfs/dbraw/zinc/99/30/20/979993020.db2.gz IMIHYJCPEXMXHL-QGZVFWFLSA-N -1 0 385.420 3.062 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595211566 979993045 /nfs/dbraw/zinc/99/30/45/979993045.db2.gz ILOZIDHAJICKRC-PXAZEXFGSA-N -1 0 392.358 3.384 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595211810 979994816 /nfs/dbraw/zinc/99/48/16/979994816.db2.gz JDUJJLLHYIEROM-NSISKUIASA-N -1 0 396.443 3.490 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001595212439 979999990 /nfs/dbraw/zinc/99/99/90/979999990.db2.gz OPQJKUCVMJZVMK-KXBFYZLASA-N -1 0 382.416 3.374 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O ZINC001595212785 980002341 /nfs/dbraw/zinc/00/23/41/980002341.db2.gz RGXRPUYHAGCIRJ-LBPRGKRZSA-N -1 0 388.376 3.215 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595213564 980007007 /nfs/dbraw/zinc/00/70/07/980007007.db2.gz VCNHJYSJIDVBOV-ZYHUDNBSSA-N -1 0 377.422 3.196 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595213746 980009766 /nfs/dbraw/zinc/00/97/66/980009766.db2.gz WWZILUNEDRTAOX-KSSFIOAISA-N -1 0 388.395 3.287 20 5 GGBDRM C[C@@H](N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1)C(F)(F)F ZINC001592969574 980100218 /nfs/dbraw/zinc/10/02/18/980100218.db2.gz UEJMEOPOQVWCRV-MRVPVSSYSA-N -1 0 381.738 3.019 20 5 GGBDRM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001592989952 980175967 /nfs/dbraw/zinc/17/59/67/980175967.db2.gz LSNYISJCINVQPE-CYBMUJFWSA-N -1 0 386.404 3.213 20 5 GGBDRM C[C@@](NC(=O)[C@H]1CCSc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593008797 980231972 /nfs/dbraw/zinc/23/19/72/980231972.db2.gz JHDYCNYHWGFNJP-KXBFYZLASA-N -1 0 386.429 3.290 20 5 GGBDRM C[C@](NC(=O)/C=C\SCc1ccco1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009220 980235341 /nfs/dbraw/zinc/23/53/41/980235341.db2.gz OHFLFDDBWRRVOW-NBEHIINDSA-N -1 0 376.390 3.051 20 5 GGBDRM C[C@](NC(=O)/C=C/c1ccc2[nH]ccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010058 980239827 /nfs/dbraw/zinc/23/98/27/980239827.db2.gz AFTGPQAWLSZCQQ-CPSHHHPTSA-N -1 0 379.372 3.206 20 5 GGBDRM CC(C)(CCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC001593015212 980260696 /nfs/dbraw/zinc/26/06/96/980260696.db2.gz JEKNTNVJKXCKSL-OAHLLOKOSA-N -1 0 377.224 3.245 20 5 GGBDRM C[C@@](NC(=O)CCc1ccc(Cl)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593019469 980270567 /nfs/dbraw/zinc/27/05/67/980270567.db2.gz COHBWIKPSWUXDS-SFHVURJKSA-N -1 0 376.796 3.297 20 5 GGBDRM C[C@@](NC(=O)CSc1ccc(F)c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593036809 980315825 /nfs/dbraw/zinc/31/58/25/980315825.db2.gz RJDRVIXBLSYHCQ-KRWDZBQOSA-N -1 0 396.371 3.081 20 5 GGBDRM C[C@@H](NC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC001593036865 980316340 /nfs/dbraw/zinc/31/63/40/980316340.db2.gz UDSMGEFOIMKNCD-CYBMUJFWSA-N -1 0 398.415 3.428 20 5 GGBDRM C[C@@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593039568 980319122 /nfs/dbraw/zinc/31/91/22/980319122.db2.gz BUKJMLVQHLQVHX-KRWDZBQOSA-N -1 0 380.759 3.046 20 5 GGBDRM CC[C@](NCC(=O)Nc1ccccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595288079 980373939 /nfs/dbraw/zinc/37/39/39/980373939.db2.gz ZUGLRYIGALLOSV-GOSISDBHSA-N -1 0 391.811 3.166 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001595361146 980759060 /nfs/dbraw/zinc/75/90/60/980759060.db2.gz TWFNVZCOWKXEFB-SFHVURJKSA-N -1 0 397.431 3.022 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001595361742 980765225 /nfs/dbraw/zinc/76/52/25/980765225.db2.gz NQPZDXLMRZGQJR-HNNXBMFYSA-N -1 0 390.367 3.421 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC001595363204 980778802 /nfs/dbraw/zinc/77/88/02/980778802.db2.gz YAUCCFMXFJMIRC-HNNXBMFYSA-N -1 0 392.433 3.130 20 5 GGBDRM CC[C@@]1(C(=O)OC(C)(C)C)CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001595368618 980828573 /nfs/dbraw/zinc/82/85/73/980828573.db2.gz LMUVTXDYYXQCAC-GOSISDBHSA-N -1 0 379.413 3.026 20 5 GGBDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000908029573 981254798 /nfs/dbraw/zinc/25/47/98/981254798.db2.gz SYCLNUFMIYGHPL-SFHVURJKSA-N -1 0 380.444 3.160 20 5 GGBDRM CCC[C@](C)(NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595554400 981436726 /nfs/dbraw/zinc/43/67/26/981436726.db2.gz YVSIIULFJPLSEI-JZKQVHKSSA-N -1 0 391.468 3.450 20 5 GGBDRM CCC[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595621693 981702375 /nfs/dbraw/zinc/70/23/75/981702375.db2.gz NATMUIDBXIMHQQ-QWHCGFSZSA-N -1 0 384.454 3.178 20 5 GGBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001594790773 981843315 /nfs/dbraw/zinc/84/33/15/981843315.db2.gz GWEJTTRPGZOHDC-MRXNPFEDSA-N -1 0 399.241 3.463 20 5 GGBDRM CCCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)[O-] ZINC001595676907 982149009 /nfs/dbraw/zinc/14/90/09/982149009.db2.gz RRXGAROBTXNWLF-CYBMUJFWSA-N -1 0 387.230 3.429 20 5 GGBDRM CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)[O-] ZINC001595676910 982150271 /nfs/dbraw/zinc/15/02/71/982150271.db2.gz RRXGAROBTXNWLF-ZDUSSCGKSA-N -1 0 387.230 3.429 20 5 GGBDRM CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001595728709 982362122 /nfs/dbraw/zinc/36/21/22/982362122.db2.gz YFWVSCUCCDNHMK-UHFFFAOYSA-N -1 0 387.440 3.345 20 5 GGBDRM CCCCOC(=O)c1ccc(OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001595765933 982494213 /nfs/dbraw/zinc/49/42/13/982494213.db2.gz SFBXHEBXIJVXTN-UHFFFAOYSA-N -1 0 387.344 3.469 20 5 GGBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001595792505 982593406 /nfs/dbraw/zinc/59/34/06/982593406.db2.gz TWMFASYJMWKPNB-UHFFFAOYSA-N -1 0 392.437 3.329 20 5 GGBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC001595792604 982593413 /nfs/dbraw/zinc/59/34/13/982593413.db2.gz XNULFVFPNIKADW-LLVKDONJSA-N -1 0 376.381 3.325 20 5 GGBDRM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001595792483 982593570 /nfs/dbraw/zinc/59/35/70/982593570.db2.gz SUDUFYRZRIKZEM-UHFFFAOYSA-N -1 0 378.410 3.020 20 5 GGBDRM CCCCc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1 ZINC001595797133 982605156 /nfs/dbraw/zinc/60/51/56/982605156.db2.gz UJHCZDYJXUTIIG-UHFFFAOYSA-N -1 0 392.433 3.461 20 5 GGBDRM CC[C@@H](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)[O-] ZINC001594944462 982627012 /nfs/dbraw/zinc/62/70/12/982627012.db2.gz FNDUUHRPWAXDGP-OQPBUACISA-N -1 0 387.230 3.285 20 5 GGBDRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001594945278 982632178 /nfs/dbraw/zinc/63/21/78/982632178.db2.gz AVWFMBBYZLNOLJ-XJKSGUPXSA-N -1 0 391.468 3.450 20 5 GGBDRM CC[C@H](C)C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594946493 982642082 /nfs/dbraw/zinc/64/20/82/982642082.db2.gz XCHKRFVDQZESJV-CABZTGNLSA-N -1 0 392.330 3.155 20 5 GGBDRM COc1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c(OC)c1OC ZINC000917085315 982679554 /nfs/dbraw/zinc/67/95/54/982679554.db2.gz HWTMMPRYGMYYOQ-WEVVVXLNSA-N -1 0 388.376 3.331 20 5 GGBDRM CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595821004 982687741 /nfs/dbraw/zinc/68/77/41/982687741.db2.gz DZSAWAIQICBBPP-NSHDSACASA-N -1 0 395.412 3.267 20 5 GGBDRM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](F)(C(=O)[O-])C2)cc1OC ZINC001594964031 982716424 /nfs/dbraw/zinc/71/64/24/982716424.db2.gz BLIYAYREEHNTDB-SGTLLEGYSA-N -1 0 384.404 3.027 20 5 GGBDRM CC[C@@H](C)NC(=O)c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001594991173 982852644 /nfs/dbraw/zinc/85/26/44/982852644.db2.gz BRRBQWJORLKSRN-CYBMUJFWSA-N -1 0 385.420 3.362 20 5 GGBDRM CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595896442 982939938 /nfs/dbraw/zinc/93/99/38/982939938.db2.gz KXICGQWJCXONLX-SFHVURJKSA-N -1 0 385.376 3.035 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001118807178 982962556 /nfs/dbraw/zinc/96/25/56/982962556.db2.gz HTHQOMFXRRZOKT-ZIAGYGMSSA-N -1 0 391.468 3.402 20 5 GGBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001595987539 983239573 /nfs/dbraw/zinc/23/95/73/983239573.db2.gz JHUNYYOIJHZGQF-AWEZNQCLSA-N -1 0 378.450 3.424 20 5 GGBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595987658 983240152 /nfs/dbraw/zinc/24/01/52/983240152.db2.gz MIPXCIIXDKPCOW-CVMIBZJCSA-N -1 0 378.450 3.326 20 5 GGBDRM CCCc1[nH]nc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC001596029890 983296822 /nfs/dbraw/zinc/29/68/22/983296822.db2.gz QMEXFAKBTXSLGK-UHFFFAOYSA-N -1 0 378.410 3.090 20 5 GGBDRM CCCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])s1 ZINC001596095654 983418184 /nfs/dbraw/zinc/41/81/84/983418184.db2.gz PEBMJNLEQRYNDW-UHFFFAOYSA-N -1 0 396.450 3.218 20 5 GGBDRM CCN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001596137854 983488020 /nfs/dbraw/zinc/48/80/20/983488020.db2.gz USWBJTZMWCTMNK-UHFFFAOYSA-N -1 0 391.346 3.127 20 5 GGBDRM CCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CCOC(C)(C)C1 ZINC001596150315 983509419 /nfs/dbraw/zinc/50/94/19/983509419.db2.gz GUCOHKREMFJPDL-CYBMUJFWSA-N -1 0 379.413 3.413 20 5 GGBDRM CCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CCOC(C)(C)C1 ZINC001596150316 983509470 /nfs/dbraw/zinc/50/94/70/983509470.db2.gz GUCOHKREMFJPDL-ZDUSSCGKSA-N -1 0 379.413 3.413 20 5 GGBDRM CCN(CC)C(=O)CCC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001596243646 983643302 /nfs/dbraw/zinc/64/33/02/983643302.db2.gz PBLVUDVMXLBONV-UHFFFAOYSA-N -1 0 377.441 3.158 20 5 GGBDRM CCN(CCCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001596328873 983766003 /nfs/dbraw/zinc/76/60/03/983766003.db2.gz ZTFUDZXPFFUPPH-UHFFFAOYSA-N -1 0 382.417 3.055 20 5 GGBDRM CCN(Cc1ccccc1)C(=O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001596371077 983866548 /nfs/dbraw/zinc/86/65/48/983866548.db2.gz FNTWRCGVAQUCRB-PKNBQFBNSA-N -1 0 383.404 3.153 20 5 GGBDRM CCN(Cc1ccccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001596371915 983874918 /nfs/dbraw/zinc/87/49/18/983874918.db2.gz ULONIBYBJJMAFT-UHFFFAOYSA-N -1 0 398.824 3.157 20 5 GGBDRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596377773 983889103 /nfs/dbraw/zinc/88/91/03/983889103.db2.gz FTNYRFQSMKDYSJ-JTQLQIEISA-N -1 0 376.438 3.296 20 5 GGBDRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001596378635 983898284 /nfs/dbraw/zinc/89/82/84/983898284.db2.gz YFLONCKOMZBXBJ-JTQLQIEISA-N -1 0 376.438 3.296 20 5 GGBDRM CCNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC001596501272 984254252 /nfs/dbraw/zinc/25/42/52/984254252.db2.gz MLCZWUMWJSSPJB-INIZCTEOSA-N -1 0 375.356 3.030 20 5 GGBDRM CCOC(=O)[C@@]1(C(C)C)CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001596553733 984423613 /nfs/dbraw/zinc/42/36/13/984423613.db2.gz ZREHTPMXURHFGR-KRWDZBQOSA-N -1 0 384.816 3.362 20 5 GGBDRM CCOC(=O)Cc1ccc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001596633845 984620075 /nfs/dbraw/zinc/62/00/75/984620075.db2.gz GJHXWEYNTVYRMX-AWEZNQCLSA-N -1 0 378.425 3.028 20 5 GGBDRM C/C(=C/C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001588939600 984630143 /nfs/dbraw/zinc/63/01/43/984630143.db2.gz QILQNXGFMSQAFD-NLYDNYMLSA-N -1 0 395.371 3.070 20 5 GGBDRM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC001599894233 984733192 /nfs/dbraw/zinc/73/31/92/984733192.db2.gz LVVGLJAAHCKHQR-IAOVAPTHSA-N -1 0 383.404 3.166 20 5 GGBDRM CCOC(=O)c1cc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001596702855 984883473 /nfs/dbraw/zinc/88/34/73/984883473.db2.gz KXHOXAPMPWFMJA-UHFFFAOYSA-N -1 0 392.389 3.400 20 5 GGBDRM CCOC(=O)c1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)cc1C ZINC001596709820 984920340 /nfs/dbraw/zinc/92/03/40/984920340.db2.gz IUQRLMHBFYCEDL-UHFFFAOYSA-N -1 0 390.323 3.170 20 5 GGBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1C ZINC001596714474 984942816 /nfs/dbraw/zinc/94/28/16/984942816.db2.gz PDFJVTPEDMIYLG-MRXNPFEDSA-N -1 0 384.388 3.268 20 5 GGBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589001419 984944267 /nfs/dbraw/zinc/94/42/67/984944267.db2.gz IXNZGQLYAOHYNE-ANIPCXSSSA-N -1 0 380.400 3.325 20 5 GGBDRM CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1C ZINC001596715223 984945259 /nfs/dbraw/zinc/94/52/59/984945259.db2.gz SJAZHQNPMDXPPV-DLBZAZTESA-N -1 0 398.415 3.385 20 5 GGBDRM C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@]1(C)C(=O)[O-] ZINC001599922517 985155289 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397.380 3.497 20 5 GGBDRM CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598010569 990177129 /nfs/dbraw/zinc/17/71/29/990177129.db2.gz KDCUNVMWGZWLRT-ZDUSSCGKSA-N -1 0 377.224 3.413 20 5 GGBDRM CC(C)(C[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1)C(N)=O ZINC001590653720 990344560 /nfs/dbraw/zinc/34/45/60/990344560.db2.gz GBQYDNUQUHHQLC-JTQLQIEISA-N -1 0 383.832 3.064 20 5 GGBDRM CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001598066558 990351836 /nfs/dbraw/zinc/35/18/36/990351836.db2.gz KHWABSZACAHNJV-UHFFFAOYSA-N -1 0 393.440 3.058 20 5 GGBDRM CC(C)(CCC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)[N+](=O)[O-] ZINC001590656255 990353311 /nfs/dbraw/zinc/35/33/11/990353311.db2.gz MBEAHJMVUGGLNB-UHFFFAOYSA-N -1 0 377.166 3.060 20 5 GGBDRM CC(C)(CCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1)[N+](=O)[O-] ZINC001590657801 990356757 /nfs/dbraw/zinc/35/67/57/990356757.db2.gz DSARHIBQJKHJDY-UHFFFAOYSA-N -1 0 377.422 3.211 20 5 GGBDRM 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C[C@@H](NC(=O)c1ccc(N2CC(C)(C)CC(C)(C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170460 994027083 /nfs/dbraw/zinc/02/70/83/994027083.db2.gz LWQSIGTWTPOAPA-GFCCVEGCSA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NCC(C)(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171431 994030861 /nfs/dbraw/zinc/03/08/61/994030861.db2.gz VMOBPWAPXXDJDF-CYBMUJFWSA-N -1 0 385.420 3.187 20 5 GGBDRM C[C@](NC(=O)c1ccc(OC(F)F)c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593171547 994031331 /nfs/dbraw/zinc/03/13/31/994031331.db2.gz AGTYCPJLFYVUQY-QGZVFWFLSA-N -1 0 398.293 3.065 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NCCc2cccc(Cl)c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171435 994031816 /nfs/dbraw/zinc/03/18/16/994031816.db2.gz VSAHEYWNALSGPN-LLVKDONJSA-N -1 0 391.811 3.106 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NCc2ccc(C3CC3)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171766 994034286 /nfs/dbraw/zinc/03/42/86/994034286.db2.gz ZUJVSDOSWMJNHN-GFCCVEGCSA-N -1 0 383.404 3.287 20 5 GGBDRM C[C@](NC(=O)c1ccc(OC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593171765 994034531 /nfs/dbraw/zinc/03/45/31/994034531.db2.gz FPLHVGKOXQUSKV-MRXNPFEDSA-N -1 0 398.293 3.223 20 5 GGBDRM COc1ccc(SCCC(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001599619714 994064406 /nfs/dbraw/zinc/06/44/06/994064406.db2.gz YFKYIJDJTZTAJC-UHFFFAOYSA-N -1 0 377.374 3.389 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001599621433 994088541 /nfs/dbraw/zinc/08/85/41/994088541.db2.gz JSDCKMPUZUSAOR-GOSISDBHSA-N -1 0 380.356 3.312 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599621790 994093517 /nfs/dbraw/zinc/09/35/17/994093517.db2.gz BFUPOHXCIUKBJJ-OAHLLOKOSA-N -1 0 379.752 3.110 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001599621848 994094384 /nfs/dbraw/zinc/09/43/84/994094384.db2.gz CSEGRUNSRRNQBM-KDOFPFPSSA-N -1 0 398.415 3.297 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001599621851 994094518 /nfs/dbraw/zinc/09/45/18/994094518.db2.gz CSEGRUNSRRNQBM-KSSFIOAISA-N -1 0 398.415 3.297 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2C(=O)[O-])c1 ZINC001599621875 994095272 /nfs/dbraw/zinc/09/52/72/994095272.db2.gz FINXVJVMHBIRGA-UHFFFAOYSA-N -1 0 395.165 3.316 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)[O-])c2Br)c1 ZINC001599621999 994096449 /nfs/dbraw/zinc/09/64/49/994096449.db2.gz JZICRHZJVXWQQX-UHFFFAOYSA-N -1 0 395.165 3.316 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)c1 ZINC001599622064 994097318 /nfs/dbraw/zinc/09/73/18/994097318.db2.gz OLPAVFMRBVALCA-UHFFFAOYSA-N -1 0 396.302 3.198 20 5 GGBDRM COc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(C(=O)[O-])cc2Br)c1 ZINC001599622313 994100889 /nfs/dbraw/zinc/10/08/89/994100889.db2.gz YJEDNZHCFHAUDP-UHFFFAOYSA-N -1 0 396.149 3.283 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001599622490 994102576 /nfs/dbraw/zinc/10/25/76/994102576.db2.gz PIRVHGGWKMOVPQ-ZDUSSCGKSA-N -1 0 377.422 3.404 20 5 GGBDRM C[C@@](NC(=O)c1ncc(Cl)cc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593190228 994118810 /nfs/dbraw/zinc/11/88/10/994118810.db2.gz WUAISUAHLIGCKI-HNNXBMFYSA-N -1 0 384.175 3.026 20 5 GGBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001599646439 994431148 /nfs/dbraw/zinc/43/11/48/994431148.db2.gz VUJOXYZFIGZNOE-UHFFFAOYSA-N -1 0 378.768 3.161 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001599649097 994468206 /nfs/dbraw/zinc/46/82/06/994468206.db2.gz IHMMAVPVFNUQFB-UEXGIBASSA-N -1 0 398.415 3.213 20 5 GGBDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC001599649664 994477468 /nfs/dbraw/zinc/47/74/68/994477468.db2.gz RPHUIZVVSKBPBC-INIZCTEOSA-N -1 0 392.795 3.463 20 5 GGBDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC001599650585 994492259 /nfs/dbraw/zinc/49/22/59/994492259.db2.gz YUYJWZZJZHHHLX-INIZCTEOSA-N -1 0 390.417 3.223 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC001599653737 994544635 /nfs/dbraw/zinc/54/46/35/994544635.db2.gz NCIJWRTVINGIFW-HXUWFJFHSA-N -1 0 397.387 3.205 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001599654168 994552469 /nfs/dbraw/zinc/55/24/69/994552469.db2.gz ROJBXXCTLCVEDD-SFHVURJKSA-N -1 0 392.795 3.377 20 5 GGBDRM C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593286128 994641107 /nfs/dbraw/zinc/64/11/07/994641107.db2.gz OAHHUSRVLKZTGB-SSDOTTSWSA-N -1 0 386.227 3.363 20 5 GGBDRM C[C@H](NCc1cc([N+](=O)[O-])ccc1Br)c1ncc(C(=O)[O-])s1 ZINC001593292336 994676221 /nfs/dbraw/zinc/67/62/21/994676221.db2.gz KKKAQMHUKOBFFL-ZETCQYMHSA-N -1 0 386.227 3.363 20 5 GGBDRM C[C@@](NCc1cc2c(cc1Cl)OCCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292491 994677215 /nfs/dbraw/zinc/67/72/15/994677215.db2.gz MINZGIVRICWKPF-SFHVURJKSA-N -1 0 392.795 3.109 20 5 GGBDRM C[C@](NCc1cc2c(cc1Cl)OCCO2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292489 994677329 /nfs/dbraw/zinc/67/73/29/994677329.db2.gz MINZGIVRICWKPF-GOSISDBHSA-N -1 0 392.795 3.109 20 5 GGBDRM COc1cccc(CCC(=O)OCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1F ZINC001599670560 994803596 /nfs/dbraw/zinc/80/35/96/994803596.db2.gz DRUNYTPVTLFANO-UHFFFAOYSA-N -1 0 377.324 3.117 20 5 GGBDRM C[C@@](NCc1nnc(-c2ccccc2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593315774 994807527 /nfs/dbraw/zinc/80/75/27/994807527.db2.gz BYILBCILRWPVBS-SFHVURJKSA-N -1 0 384.417 3.203 20 5 GGBDRM CNc1c(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cccc1[N+](=O)[O-] ZINC001598677679 994873797 /nfs/dbraw/zinc/87/37/97/994873797.db2.gz XISZIIFYVDYPFF-UHFFFAOYSA-N -1 0 398.419 3.051 20 5 GGBDRM COc1cccc(CO[C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599675390 994888489 /nfs/dbraw/zinc/88/84/89/994888489.db2.gz WSMDMKLQMUOBQN-GFCCVEGCSA-N -1 0 388.376 3.154 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001598680550 994921554 /nfs/dbraw/zinc/92/15/54/994921554.db2.gz NZEDBEIFWGVSBR-UHFFFAOYSA-N -1 0 394.181 3.350 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC001593360681 995026266 /nfs/dbraw/zinc/02/62/66/995026266.db2.gz XPIVBUVHKGJOHZ-GUTXKFCHSA-N -1 0 398.419 3.098 20 5 GGBDRM CC(C)[C@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593362061 995029698 /nfs/dbraw/zinc/02/96/98/995029698.db2.gz CIXONHWDGQGUBN-PXAZEXFGSA-N -1 0 387.392 3.429 20 5 GGBDRM CC(C)[C@@H](OC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593362063 995029875 /nfs/dbraw/zinc/02/98/75/995029875.db2.gz CIXONHWDGQGUBN-SJKOYZFVSA-N -1 0 387.392 3.429 20 5 GGBDRM CC(C)[C@@H](OC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593362064 995029998 /nfs/dbraw/zinc/02/99/98/995029998.db2.gz CIXONHWDGQGUBN-YVEFUNNKSA-N -1 0 387.392 3.429 20 5 GGBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC001593362416 995031690 /nfs/dbraw/zinc/03/16/90/995031690.db2.gz HAHVDJZILYLLOE-HYYFJVDXSA-N -1 0 393.197 3.418 20 5 GGBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC001593362418 995031992 /nfs/dbraw/zinc/03/19/92/995031992.db2.gz HAHVDJZILYLLOE-SGRBOOSSSA-N -1 0 393.197 3.418 20 5 GGBDRM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593374067 995071153 /nfs/dbraw/zinc/07/11/53/995071153.db2.gz NRQYRCLKSOQTRR-MFKMUULPSA-N -1 0 394.225 3.496 20 5 GGBDRM C[C@@](O)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1Br ZINC001593417444 995204739 /nfs/dbraw/zinc/20/47/39/995204739.db2.gz TVSTURDVZGRTJB-MRXNPFEDSA-N -1 0 395.209 3.375 20 5 GGBDRM C[C@@H](O)C[C@H]1CCCN1c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001593450985 995348614 /nfs/dbraw/zinc/34/86/14/995348614.db2.gz PTBJQYZSIUGWMB-UKRRQHHQSA-N -1 0 398.415 3.264 20 5 GGBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001593556284 995640986 /nfs/dbraw/zinc/64/09/86/995640986.db2.gz GFBXWXGOSSNREF-VIFPVBQESA-N -1 0 392.751 3.130 20 5 GGBDRM COC(=O)C1CC2(C1)C[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])CCS2 ZINC001598761611 995782979 /nfs/dbraw/zinc/78/29/79/995782979.db2.gz XEESSRVBZZLUTI-LASWEOPPSA-N -1 0 394.449 3.231 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001593619430 995861164 /nfs/dbraw/zinc/86/11/64/995861164.db2.gz DHZSPEZMQKONRJ-SMDDNHRTSA-N -1 0 398.843 3.413 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001593619705 995863124 /nfs/dbraw/zinc/86/31/24/995863124.db2.gz LYEFTHDMJLNUIP-SDBXPKJASA-N -1 0 384.797 3.019 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001593619895 995865056 /nfs/dbraw/zinc/86/50/56/995865056.db2.gz SIBQCESCSKPQEO-LLVKDONJSA-N -1 0 384.816 3.167 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc1F)C(=O)[O-] ZINC001593624054 995884461 /nfs/dbraw/zinc/88/44/61/995884461.db2.gz FOZAANCYKWVVRE-VHSXEESVSA-N -1 0 394.330 3.467 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1F)C(=O)[O-] ZINC001593632170 995919145 /nfs/dbraw/zinc/91/91/45/995919145.db2.gz RGVXRNMXQCZRIJ-VIFPVBQESA-N -1 0 387.323 3.319 20 5 GGBDRM C[C@H](Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1F)C(=O)[O-] ZINC001593633516 995924005 /nfs/dbraw/zinc/92/40/05/995924005.db2.gz HFNYKCUNJUMMAO-QMMMGPOBSA-N -1 0 382.731 3.492 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001593666858 996053875 /nfs/dbraw/zinc/05/38/75/996053875.db2.gz CBLGQPBQOUTYNF-JSGCOSHPSA-N -1 0 386.429 3.366 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001593666935 996054595 /nfs/dbraw/zinc/05/45/95/996054595.db2.gz GARVMMLYSQJWFU-SECBINFHSA-N -1 0 395.824 3.138 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001593667195 996056224 /nfs/dbraw/zinc/05/62/24/996056224.db2.gz LAPDDINWEMPKHK-VIFPVBQESA-N -1 0 386.389 3.289 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593667331 996057169 /nfs/dbraw/zinc/05/71/69/996057169.db2.gz NMJXQJXVADWNMY-MEDUHNTESA-N -1 0 392.408 3.199 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001593667717 996059060 /nfs/dbraw/zinc/05/90/60/996059060.db2.gz RQTYUASNZVSMEY-BDJLRTHQSA-N -1 0 392.408 3.027 20 5 GGBDRM C[C@H](Sc1ccccc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001593668101 996061239 /nfs/dbraw/zinc/06/12/39/996061239.db2.gz LHRWDPDYGZNOKK-ZDUSSCGKSA-N -1 0 388.445 3.475 20 5 GGBDRM C[C@@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001593678331 996091316 /nfs/dbraw/zinc/09/13/16/996091316.db2.gz KEKBXPCTRKSQPD-MRVPVSSYSA-N -1 0 381.797 3.461 20 5 GGBDRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593692906 996141048 /nfs/dbraw/zinc/14/10/48/996141048.db2.gz FVFVSGPKVADAAL-SNVBAGLBSA-N -1 0 394.330 3.170 20 5 GGBDRM C[C@H](c1cccc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1)N1CCOCC1 ZINC001593702852 996177568 /nfs/dbraw/zinc/17/75/68/996177568.db2.gz FQTUUMJUNQPRBN-CQSZACIVSA-N -1 0 385.420 3.298 20 5 GGBDRM C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001593709960 996207777 /nfs/dbraw/zinc/20/77/77/996207777.db2.gz GOISLCZXBXHXBN-LBPRGKRZSA-N -1 0 390.417 3.207 20 5 GGBDRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])n1C ZINC001593719965 996247020 /nfs/dbraw/zinc/24/70/20/996247020.db2.gz IZYQWRHTEKIBDH-LBPRGKRZSA-N -1 0 398.375 3.023 20 5 GGBDRM COC(=O)/C=C/c1ccc(NC[C@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])c1 ZINC001598835008 996475891 /nfs/dbraw/zinc/47/58/91/996475891.db2.gz TVWPOGSVWDBGJU-HQPKTYMTSA-N -1 0 376.409 3.474 20 5 GGBDRM COC(=O)/C=C/c1ccc(N[C@@H](CC(=O)[O-])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001598835042 996476561 /nfs/dbraw/zinc/47/65/61/996476561.db2.gz UFAOWAQEKWXDNF-XAVKZTDYSA-N -1 0 384.388 3.279 20 5 GGBDRM CC1(C)CC(=O)c2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2O1 ZINC001593847230 996613494 /nfs/dbraw/zinc/61/34/94/996613494.db2.gz IJNJDQPSQNSHJJ-UHFFFAOYSA-N -1 0 384.344 3.289 20 5 GGBDRM C[C@@](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593847877 996616182 /nfs/dbraw/zinc/61/61/82/996616182.db2.gz YIWBGECAHBLGOO-IERDGZPVSA-N -1 0 398.415 3.356 20 5 GGBDRM COC(=O)CCOc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001598853815 996624395 /nfs/dbraw/zinc/62/43/95/996624395.db2.gz PXKLPBRNQDJWLE-YCRREMRBSA-N -1 0 386.360 3.378 20 5 GGBDRM CC1(C)CCC[C@H]1[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001593897142 996757038 /nfs/dbraw/zinc/75/70/38/996757038.db2.gz JLSYPUXAIMZZFC-DOMZBBRYSA-N -1 0 396.465 3.130 20 5 GGBDRM 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COc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1C(=O)[O-] ZINC001599414626 997484008 /nfs/dbraw/zinc/48/40/08/997484008.db2.gz XGHFXEYHUXVGIW-UHFFFAOYSA-N -1 0 378.768 3.193 20 5 GGBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1Cl ZINC001599523064 997513273 /nfs/dbraw/zinc/51/32/73/997513273.db2.gz BTJNMUIJXKBUFV-OAHLLOKOSA-N -1 0 378.768 3.121 20 5 GGBDRM COC(=O)c1cc(Br)cc(Oc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001598918417 997520529 /nfs/dbraw/zinc/52/05/29/997520529.db2.gz GASQXZGNQPOZHW-UHFFFAOYSA-N -1 0 397.137 3.029 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594022124 997545463 /nfs/dbraw/zinc/54/54/63/997545463.db2.gz RTDVRUFKUMQAHA-SFHVURJKSA-N -1 0 379.413 3.034 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594022123 997545822 /nfs/dbraw/zinc/54/58/22/997545822.db2.gz RTDVRUFKUMQAHA-GOSISDBHSA-N -1 0 379.413 3.034 20 5 GGBDRM COC(=O)c1cc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)cc([N+](=O)[O-])c1 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564471611 /nfs/dbraw/zinc/47/16/11/564471611.db2.gz CXALSYNJRRCHAR-SNVBAGLBSA-N -1 0 399.296 3.225 20 5 GGBDRM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124236529 564476012 /nfs/dbraw/zinc/47/60/12/564476012.db2.gz ZKWNBEUUDKYGRI-UHFFFAOYSA-N -1 0 399.296 3.369 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000124356338 564479489 /nfs/dbraw/zinc/47/94/89/564479489.db2.gz HAUWTXXYIBPLQX-UHFFFAOYSA-N -1 0 376.312 3.423 20 5 GGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1csc(I)c1 ZINC000124964995 564498885 /nfs/dbraw/zinc/49/88/85/564498885.db2.gz KDZPEYNUUHPIKJ-UHFFFAOYSA-N -1 0 390.158 3.219 20 5 GGBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000125221073 564507341 /nfs/dbraw/zinc/50/73/41/564507341.db2.gz ALLOMEDVHGRLBV-UHFFFAOYSA-N -1 0 391.174 3.003 20 5 GGBDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000047521586 564522006 /nfs/dbraw/zinc/52/20/06/564522006.db2.gz BZEBCNDULUZOBI-UHFFFAOYSA-N -1 0 384.797 3.226 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)c(Cl)c1 ZINC000125785611 564527245 /nfs/dbraw/zinc/52/72/45/564527245.db2.gz KWGUNWFSQGYXGX-UHFFFAOYSA-N -1 0 393.755 3.088 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000126409854 564548161 /nfs/dbraw/zinc/54/81/61/564548161.db2.gz LJEZPHYDDUGRLJ-UHFFFAOYSA-N -1 0 397.210 3.034 20 5 GGBDRM Cc1sc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000127160602 564574932 /nfs/dbraw/zinc/57/49/32/564574932.db2.gz AIXOGKACOVJVIC-ZFWWWQNUSA-N -1 0 382.463 3.163 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000127305710 564579780 /nfs/dbraw/zinc/57/97/80/564579780.db2.gz SXKKERUMCSCZFX-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000055579710 564624138 /nfs/dbraw/zinc/62/41/38/564624138.db2.gz AAHUMMNALJTAJS-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000055565379 564624308 /nfs/dbraw/zinc/62/43/08/564624308.db2.gz LZFZSMGBUACXRO-UHFFFAOYSA-N -1 0 386.813 3.375 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000055582519 564624348 /nfs/dbraw/zinc/62/43/48/564624348.db2.gz LSGGMMRKBQHSTO-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000055589646 564625705 /nfs/dbraw/zinc/62/57/05/564625705.db2.gz NMDWLBNQMCSCRW-UHFFFAOYSA-N -1 0 385.829 3.124 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000129145785 564639641 /nfs/dbraw/zinc/63/96/41/564639641.db2.gz YCSVWVFUBPAHIJ-CYBMUJFWSA-N -1 0 382.360 3.003 20 5 GGBDRM Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000129597032 564653965 /nfs/dbraw/zinc/65/39/65/564653965.db2.gz SEIYMIQSDNZULA-UHFFFAOYSA-N -1 0 390.190 3.001 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc(-c2cccs2)n1 ZINC000130355439 564678665 /nfs/dbraw/zinc/67/86/65/564678665.db2.gz LPMXAEUYSNJMJV-UHFFFAOYSA-N -1 0 380.407 3.070 20 5 GGBDRM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000058495293 564683991 /nfs/dbraw/zinc/68/39/91/564683991.db2.gz PAGUSLLLWOEYHV-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM CC1(C)Cc2nc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C(=O)C1 ZINC000059132390 564692427 /nfs/dbraw/zinc/69/24/27/564692427.db2.gz JVDXXVGZLVGOAW-UHFFFAOYSA-N -1 0 381.435 3.007 20 5 GGBDRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131274692 564707285 /nfs/dbraw/zinc/70/72/85/564707285.db2.gz GDBCDKXRQBDREC-UHFFFAOYSA-N -1 0 383.813 3.398 20 5 GGBDRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000132705307 564750665 /nfs/dbraw/zinc/75/06/65/564750665.db2.gz UKYQGDRAQPFCHB-UHFFFAOYSA-N -1 0 387.211 3.172 20 5 GGBDRM COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000066306393 564761734 /nfs/dbraw/zinc/76/17/34/564761734.db2.gz HMELSXWXFTWGMP-UHFFFAOYSA-N -1 0 386.813 3.074 20 5 GGBDRM CN(CCc1ccc(Br)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000133444664 564774304 /nfs/dbraw/zinc/77/43/04/564774304.db2.gz HUIPCASSQAMQFG-UHFFFAOYSA-N -1 0 379.210 3.378 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c([N+](=O)[O-])c1 ZINC000067899552 564802125 /nfs/dbraw/zinc/80/21/25/564802125.db2.gz XKAUEGQBDXNVKL-UHFFFAOYSA-N -1 0 382.463 3.310 20 5 GGBDRM Cc1cc(Br)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000068038453 564806651 /nfs/dbraw/zinc/80/66/51/564806651.db2.gz ARGIWRHYXAFEAO-UHFFFAOYSA-N -1 0 387.211 3.172 20 5 GGBDRM CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000135077416 564823100 /nfs/dbraw/zinc/82/31/00/564823100.db2.gz DKLZWZUHQGXMQY-AWEZNQCLSA-N -1 0 378.182 3.259 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c(Cl)c1 ZINC000135941657 564842587 /nfs/dbraw/zinc/84/25/87/564842587.db2.gz GPPFLPHBHXKVFU-UHFFFAOYSA-N -1 0 380.769 3.099 20 5 GGBDRM COc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1[N+](=O)[O-] ZINC000136293296 564847979 /nfs/dbraw/zinc/84/79/79/564847979.db2.gz JMWGZGAAUZTJTR-UHFFFAOYSA-N -1 0 393.240 3.228 20 5 GGBDRM COCCOc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000146132011 564880940 /nfs/dbraw/zinc/88/09/40/564880940.db2.gz NGNNVSVRFMUOMY-UHFFFAOYSA-N -1 0 386.813 3.074 20 5 GGBDRM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146869676 564882076 /nfs/dbraw/zinc/88/20/76/564882076.db2.gz HBKGGXBESVGTHA-VIFPVBQESA-N -1 0 388.804 3.435 20 5 GGBDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000095457182 564898536 /nfs/dbraw/zinc/89/85/36/564898536.db2.gz TWOPRFSLJFDUOM-UHFFFAOYSA-N -1 0 387.776 3.147 20 5 GGBDRM CS(=O)(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151421403 564919033 /nfs/dbraw/zinc/91/90/33/564919033.db2.gz JYGQXYHCUZGIHK-UHFFFAOYSA-N -1 0 394.352 3.331 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000102907577 564938988 /nfs/dbraw/zinc/93/89/88/564938988.db2.gz ZUMIYLADBZWDQL-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152349244 564956140 /nfs/dbraw/zinc/95/61/40/564956140.db2.gz WGBHJVFNBQAJQU-VIFPVBQESA-N -1 0 388.854 3.250 20 5 GGBDRM C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152349331 564956208 /nfs/dbraw/zinc/95/62/08/564956208.db2.gz WGBHJVFNBQAJQU-SECBINFHSA-N -1 0 388.854 3.250 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)c1 ZINC000105387233 564966379 /nfs/dbraw/zinc/96/63/79/564966379.db2.gz PECWTANVMLCFNA-UHFFFAOYSA-N -1 0 376.312 3.445 20 5 GGBDRM Cn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000152661975 564967747 /nfs/dbraw/zinc/96/77/47/564967747.db2.gz XYTXRMWVSANBLE-UHFFFAOYSA-N -1 0 396.475 3.342 20 5 GGBDRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000106008618 564976190 /nfs/dbraw/zinc/97/61/90/564976190.db2.gz WCXGWHSIQZCKCL-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000108759493 565016196 /nfs/dbraw/zinc/01/61/96/565016196.db2.gz WIQSRHDQOQDVQI-UHFFFAOYSA-N -1 0 397.210 3.034 20 5 GGBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000108759213 565016278 /nfs/dbraw/zinc/01/62/78/565016278.db2.gz OEKMQFZPVIFDMZ-UHFFFAOYSA-N -1 0 399.222 3.361 20 5 GGBDRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000157815443 565145223 /nfs/dbraw/zinc/14/52/23/565145223.db2.gz WCQJVWKQZXPUSW-CMPLNLGQSA-N -1 0 383.253 3.138 20 5 GGBDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000268457363 565153426 /nfs/dbraw/zinc/15/34/26/565153426.db2.gz SUZWVFNQZJFMEI-UHFFFAOYSA-N -1 0 386.455 3.159 20 5 GGBDRM COCc1c(Br)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184726447 565154248 /nfs/dbraw/zinc/15/42/48/565154248.db2.gz OJAGGWWQABYPTI-UHFFFAOYSA-N -1 0 381.182 3.462 20 5 GGBDRM CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184754405 565155084 /nfs/dbraw/zinc/15/50/84/565155084.db2.gz IAOFTRHFOLWKSH-UHFFFAOYSA-N -1 0 394.181 3.274 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cncc(Br)c2)c1C ZINC000158176299 565159215 /nfs/dbraw/zinc/15/92/15/565159215.db2.gz ZKCDNGDXVZLSOH-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c2ncccc12 ZINC000184858592 565160927 /nfs/dbraw/zinc/16/09/27/565160927.db2.gz QBJUKUVHGINVTI-UHFFFAOYSA-N -1 0 379.781 3.303 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c([N+](=O)[O-])c1 ZINC000158648560 565176854 /nfs/dbraw/zinc/17/68/54/565176854.db2.gz LMBDFSBUZNVUOR-UHFFFAOYSA-N -1 0 376.312 3.445 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c([N+](=O)[O-])c1 ZINC000158667812 565177320 /nfs/dbraw/zinc/17/73/20/565177320.db2.gz AFBUXZLTNXHTHH-UHFFFAOYSA-N -1 0 376.419 3.223 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c2ncccc12 ZINC000185611493 565211156 /nfs/dbraw/zinc/21/11/56/565211156.db2.gz KUNZHGMVQBQMHO-UHFFFAOYSA-N -1 0 376.419 3.278 20 5 GGBDRM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000185635904 565212176 /nfs/dbraw/zinc/21/21/76/565212176.db2.gz SPIPGNRRYCVNRH-UHFFFAOYSA-N -1 0 377.571 3.490 20 5 GGBDRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000270433799 565218377 /nfs/dbraw/zinc/21/83/77/565218377.db2.gz OZPUKMRDHCVDOO-UHFFFAOYSA-N -1 0 390.215 3.017 20 5 GGBDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000270448568 565218816 /nfs/dbraw/zinc/21/88/16/565218816.db2.gz DAESIHHIPRLOIW-UHFFFAOYSA-N -1 0 383.451 3.052 20 5 GGBDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000270461579 565219173 /nfs/dbraw/zinc/21/91/73/565219173.db2.gz DIWVZAKAKBGLBB-UHFFFAOYSA-N -1 0 389.231 3.005 20 5 GGBDRM COc1ccc(Br)cc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160174271 565233370 /nfs/dbraw/zinc/23/33/70/565233370.db2.gz NNVJJVOKCAMNHO-UHFFFAOYSA-N -1 0 381.182 3.002 20 5 GGBDRM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160203298 565234674 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600522904 /nfs/dbraw/zinc/52/29/04/600522904.db2.gz ZRXULXMASZWZEF-UHFFFAOYSA-N -1 0 391.177 3.258 20 5 GGBDRM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000738608645 600524626 /nfs/dbraw/zinc/52/46/26/600524626.db2.gz GFSZWAHTJOKINT-UHFFFAOYSA-N -1 0 393.193 3.084 20 5 GGBDRM CCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1C(=O)[O-] ZINC000737062661 600524842 /nfs/dbraw/zinc/52/48/42/600524842.db2.gz UIWJRQSDPNFMFO-UHFFFAOYSA-N -1 0 380.360 3.145 20 5 GGBDRM CCOC(=O)c1cc(C(=O)N(CC)c2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737147963 600524908 /nfs/dbraw/zinc/52/49/08/600524908.db2.gz GHWUFLRQEHNYOL-UHFFFAOYSA-N -1 0 386.360 3.136 20 5 GGBDRM CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1C(=O)[O-] ZINC000737061302 600532576 /nfs/dbraw/zinc/53/25/76/600532576.db2.gz FBPGOSZAYGGVEO-UHFFFAOYSA-N -1 0 380.360 3.145 20 5 GGBDRM O=C([O-])c1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc([N+](=O)[O-])c1 ZINC000740088563 600540273 /nfs/dbraw/zinc/54/02/73/600540273.db2.gz KLXUSUQJGQWNCI-KRWDZBQOSA-N -1 0 386.360 3.103 20 5 GGBDRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736767017 600540539 /nfs/dbraw/zinc/54/05/39/600540539.db2.gz YEXAAUKUQOMIJO-QFYYESIMSA-N -1 0 383.360 3.140 20 5 GGBDRM O=C([O-])c1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000739231220 600543871 /nfs/dbraw/zinc/54/38/71/600543871.db2.gz CNSZJNIWHJASAK-UHFFFAOYSA-N -1 0 388.336 3.032 20 5 GGBDRM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736273032 600544253 /nfs/dbraw/zinc/54/42/53/600544253.db2.gz JSWGPSNHQPXNIN-CQSZACIVSA-N -1 0 393.396 3.021 20 5 GGBDRM CC(C)(C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000736224215 600548568 /nfs/dbraw/zinc/54/85/68/600548568.db2.gz YSMIHGIPUUVOQT-CQSZACIVSA-N -1 0 388.395 3.071 20 5 GGBDRM C[C@H](NC(=O)c1ccc(NCCc2cc3ccccc3o2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736655852 600560457 /nfs/dbraw/zinc/56/04/57/600560457.db2.gz GAGTVVLKBCZDJR-LBPRGKRZSA-N -1 0 397.387 3.199 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)NCc2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000262199834 600578879 /nfs/dbraw/zinc/57/88/79/600578879.db2.gz ZVYLOIJCTFXWMM-UHFFFAOYSA-N -1 0 386.404 3.286 20 5 GGBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000737333281 600580335 /nfs/dbraw/zinc/58/03/35/600580335.db2.gz JQFPEMDMBUFLBI-KRWDZBQOSA-N -1 0 383.404 3.034 20 5 GGBDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737171228 600586709 /nfs/dbraw/zinc/58/67/09/600586709.db2.gz NGUVZOPDONKQPZ-UHFFFAOYSA-N -1 0 396.783 3.218 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736700909 600589547 /nfs/dbraw/zinc/58/95/47/600589547.db2.gz OMXYBKNYILHNMU-ZBEGNZNMSA-N -1 0 392.795 3.300 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1SC ZINC000737902496 600590405 /nfs/dbraw/zinc/59/04/05/600590405.db2.gz MTGNROXAIBOXTF-INIZCTEOSA-N -1 0 390.417 3.223 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC000739401539 600598015 /nfs/dbraw/zinc/59/80/15/600598015.db2.gz CHCOAUPPMDZBLS-AWEZNQCLSA-N -1 0 384.413 3.483 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC000739350519 600600178 /nfs/dbraw/zinc/60/01/78/600600178.db2.gz XPLKURSBRXTZLN-SFHVURJKSA-N -1 0 392.411 3.350 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000736701589 600602402 /nfs/dbraw/zinc/60/24/02/600602402.db2.gz YBBUXKBNEDKCBC-LLVKDONJSA-N -1 0 378.768 3.133 20 5 GGBDRM C[C@H](CS[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000736616041 600604251 /nfs/dbraw/zinc/60/42/51/600604251.db2.gz IPVJEBLIYWFBFA-ZJUUUORDSA-N -1 0 395.462 3.499 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 ZINC000238188746 600607573 /nfs/dbraw/zinc/60/75/73/600607573.db2.gz RLVFWLSVVYCUIC-GOSISDBHSA-N -1 0 378.384 3.421 20 5 GGBDRM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485725826 600608556 /nfs/dbraw/zinc/60/85/56/600608556.db2.gz PVBSXCPNQATVCD-MGPLVRAMSA-N -1 0 392.795 3.452 20 5 GGBDRM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485725827 600608559 /nfs/dbraw/zinc/60/85/59/600608559.db2.gz PVBSXCPNQATVCD-QFYYESIMSA-N -1 0 392.795 3.452 20 5 GGBDRM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485725828 600608593 /nfs/dbraw/zinc/60/85/93/600608593.db2.gz PVBSXCPNQATVCD-QLJPJBMISA-N -1 0 392.795 3.452 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000736670699 600612377 /nfs/dbraw/zinc/61/23/77/600612377.db2.gz HBPIZCKXVKWJLW-FKIZINRSSA-N -1 0 398.419 3.146 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)cc2[N+](=O)[O-])C1 ZINC000538504041 600615234 /nfs/dbraw/zinc/61/52/34/600615234.db2.gz ZDARRLHDIODUNK-IZDJOXEWSA-N -1 0 389.452 3.060 20 5 GGBDRM Cc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Br)oc1C(=O)[O-] ZINC000738394632 600622194 /nfs/dbraw/zinc/62/21/94/600622194.db2.gz HJFIBOWKUIAMNG-UHFFFAOYSA-N -1 0 384.138 3.314 20 5 GGBDRM Cc1ccc(NCCCNC(=O)Nc2cc(C(=O)[O-])ccc2F)c([N+](=O)[O-])c1 ZINC000738632883 600624079 /nfs/dbraw/zinc/62/40/79/600624079.db2.gz OPZBLAMXJOKQDN-UHFFFAOYSA-N -1 0 390.371 3.364 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2C[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657775 600624753 /nfs/dbraw/zinc/62/47/53/600624753.db2.gz SWVARASFRCIZRY-GRDNDAEWSA-N -1 0 397.431 3.180 20 5 GGBDRM C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000610845533 600642653 /nfs/dbraw/zinc/64/26/53/600642653.db2.gz UFDGVVFYFFKZHS-WBMJQRKESA-N -1 0 377.441 3.060 20 5 GGBDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000736425812 600658132 /nfs/dbraw/zinc/65/81/32/600658132.db2.gz MQKHOACGLAMPLN-GFCCVEGCSA-N -1 0 389.202 3.083 20 5 GGBDRM O=C([O-])c1ccccc1C(=O)c1ccc(NC[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000740239518 600671959 /nfs/dbraw/zinc/67/19/59/600671959.db2.gz GQRHFILFYDCACL-ACJLOTCBSA-N -1 0 384.388 3.097 20 5 GGBDRM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000485226484 600690692 /nfs/dbraw/zinc/69/06/92/600690692.db2.gz WULPPXJEJMMIAC-UHFFFAOYSA-N -1 0 394.405 3.189 20 5 GGBDRM O=C([O-])c1cc(NS(=O)(=O)/C=C/c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000833300595 600691111 /nfs/dbraw/zinc/69/11/11/600691111.db2.gz RCZXTTSIQSDNGH-AATRIKPKSA-N -1 0 382.781 3.359 20 5 GGBDRM O=C([O-])c1ccc(OCCOC(=O)Cc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000833118264 600704593 /nfs/dbraw/zinc/70/45/93/600704593.db2.gz DNKLDURFAUKOPJ-UHFFFAOYSA-N -1 0 379.752 3.111 20 5 GGBDRM C[C@@H](O)C[C@H](C)CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000736673522 600708924 /nfs/dbraw/zinc/70/89/24/600708924.db2.gz COHZLSQGEJMBPP-QWHCGFSZSA-N -1 0 386.404 3.343 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](O)c1ccccc1Cl ZINC000740094770 600709415 /nfs/dbraw/zinc/70/94/15/600709415.db2.gz GLLUPEYSROWTPX-CYBMUJFWSA-N -1 0 381.728 3.000 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](O)c1ccccc1Cl ZINC000740094771 600709448 /nfs/dbraw/zinc/70/94/48/600709448.db2.gz GLLUPEYSROWTPX-ZDUSSCGKSA-N -1 0 381.728 3.000 20 5 GGBDRM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000614320672 600710005 /nfs/dbraw/zinc/71/00/05/600710005.db2.gz LFLBGNXLDNTNML-AWEZNQCLSA-N -1 0 398.824 3.051 20 5 GGBDRM CN(CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000830697074 600726231 /nfs/dbraw/zinc/72/62/31/600726231.db2.gz JYWAVKNTHLABKX-INIZCTEOSA-N -1 0 378.768 3.054 20 5 GGBDRM O=C([O-])c1cc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000738672540 600731399 /nfs/dbraw/zinc/73/13/99/600731399.db2.gz IGIDPAKONDHVNT-ZDUSSCGKSA-N -1 0 399.186 3.063 20 5 GGBDRM 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GGBDRM O=C([O-])c1cc(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc([N+](=O)[O-])c1 ZINC000485740587 600899295 /nfs/dbraw/zinc/89/92/95/600899295.db2.gz GTLTURNJCXKBQW-LBPRGKRZSA-N -1 0 397.170 3.463 20 5 GGBDRM O=C([O-])c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000833319119 600902415 /nfs/dbraw/zinc/90/24/15/600902415.db2.gz SDPYRQPSHRFAQP-UHFFFAOYSA-N -1 0 375.406 3.210 20 5 GGBDRM O=C([O-])C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000739647395 600909798 /nfs/dbraw/zinc/90/97/98/600909798.db2.gz VLUPVWUEYXKWLX-NSHDSACASA-N -1 0 393.355 3.067 20 5 GGBDRM O=C([O-])CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(F)c1 ZINC000739712168 600939675 /nfs/dbraw/zinc/93/96/75/600939675.db2.gz PLAWBDLQFKTJEU-UHFFFAOYSA-N -1 0 385.351 3.197 20 5 GGBDRM O=C([O-])CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000739711256 600939786 /nfs/dbraw/zinc/93/97/86/600939786.db2.gz JAKXZUYROUETLW-UHFFFAOYSA-N -1 0 378.381 3.334 20 5 GGBDRM 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COc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000598662950 601083786 /nfs/dbraw/zinc/08/37/86/601083786.db2.gz YRIVMAFRUWDDCO-HOCLYGCPSA-N -1 0 376.409 3.099 20 5 GGBDRM COc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000598662949 601083946 /nfs/dbraw/zinc/08/39/46/601083946.db2.gz YRIVMAFRUWDDCO-GOEBONIOSA-N -1 0 376.409 3.099 20 5 GGBDRM COc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598661939 601092760 /nfs/dbraw/zinc/09/27/60/601092760.db2.gz PFGQDRVVYGRGCQ-GDBMZVCRSA-N -1 0 376.409 3.099 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc([N+](=O)[O-])c1 ZINC000833296016 601108143 /nfs/dbraw/zinc/10/81/43/601108143.db2.gz JJPQCUITGCEODW-UHFFFAOYSA-N -1 0 381.388 3.170 20 5 GGBDRM CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC000737049367 601113348 /nfs/dbraw/zinc/11/33/48/601113348.db2.gz FQIATFGXHAJZEM-VIFPVBQESA-N -1 0 381.435 3.283 20 5 GGBDRM CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ncc(C(=O)[O-])s1 ZINC000737049366 601113357 /nfs/dbraw/zinc/11/33/57/601113357.db2.gz FQIATFGXHAJZEM-SECBINFHSA-N -1 0 381.435 3.283 20 5 GGBDRM Cn1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833041988 601117359 /nfs/dbraw/zinc/11/73/59/601117359.db2.gz JHYUQVGZEKSTJJ-KRWDZBQOSA-N -1 0 399.334 3.117 20 5 GGBDRM O=C([O-])CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000833246067 601146532 /nfs/dbraw/zinc/14/65/32/601146532.db2.gz VBJMUNYTOXFZLL-UHFFFAOYSA-N -1 0 397.156 3.228 20 5 GGBDRM CCOc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC ZINC000830049898 601147913 /nfs/dbraw/zinc/14/79/13/601147913.db2.gz RUOKUMLKFSHJEB-NWDGAFQWSA-N -1 0 380.397 3.222 20 5 GGBDRM CCOc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC ZINC000830049902 601147930 /nfs/dbraw/zinc/14/79/30/601147930.db2.gz RUOKUMLKFSHJEB-VXGBXAGGSA-N -1 0 380.397 3.222 20 5 GGBDRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc21 ZINC000833192463 601157128 /nfs/dbraw/zinc/15/71/28/601157128.db2.gz HTWNUTGXMLGFPR-GFCCVEGCSA-N -1 0 391.177 3.186 20 5 GGBDRM O=C([O-])NCc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000833282670 601158610 /nfs/dbraw/zinc/15/86/10/601158610.db2.gz XQEDYCUWDDKXHL-UHFFFAOYSA-N -1 0 394.181 3.377 20 5 GGBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000833189586 601159216 /nfs/dbraw/zinc/15/92/16/601159216.db2.gz TVKRSBMTVQRKTP-NXEZZACHSA-N -1 0 386.198 3.292 20 5 GGBDRM O=C([O-])CC1(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000833203805 601162261 /nfs/dbraw/zinc/16/22/61/601162261.db2.gz IANKAKFYBXIYNY-UHFFFAOYSA-N -1 0 385.214 3.265 20 5 GGBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190859196 601165195 /nfs/dbraw/zinc/16/51/95/601165195.db2.gz DTDXSGWPJCIGMZ-APPDUMDISA-N -1 0 376.796 3.369 20 5 GGBDRM Cc1c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832849789 601167057 /nfs/dbraw/zinc/16/70/57/601167057.db2.gz RVEMNBAGHADJII-ZBEGNZNMSA-N -1 0 387.348 3.003 20 5 GGBDRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000827826068 601179258 /nfs/dbraw/zinc/17/92/58/601179258.db2.gz KAQYHUMHJGAACH-HBNTYKKESA-N -1 0 398.799 3.009 20 5 GGBDRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000827817097 601184553 /nfs/dbraw/zinc/18/45/53/601184553.db2.gz HYYLXNBZAXOCCB-AXFHLTTASA-N -1 0 398.799 3.009 20 5 GGBDRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000827817098 601184585 /nfs/dbraw/zinc/18/45/85/601184585.db2.gz HYYLXNBZAXOCCB-DCAQKATOSA-N -1 0 398.799 3.009 20 5 GGBDRM O=C([O-])CC1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000595999602 601186115 /nfs/dbraw/zinc/18/61/15/601186115.db2.gz PHEWHWSBMRRVJT-UHFFFAOYSA-N -1 0 389.452 3.105 20 5 GGBDRM O=C([O-])c1cccc(COC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000833329387 601194759 /nfs/dbraw/zinc/19/47/59/601194759.db2.gz LLSDCDCVXSWEDV-UHFFFAOYSA-N -1 0 380.150 3.413 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000826054829 601201322 /nfs/dbraw/zinc/20/13/22/601201322.db2.gz QXGFTNUKAKXEKX-SJKOYZFVSA-N -1 0 382.376 3.196 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000827703880 601201570 /nfs/dbraw/zinc/20/15/70/601201570.db2.gz SVVADMDCWHMGSU-MCIONIFRSA-N -1 0 385.420 3.402 20 5 GGBDRM C[C@H](C(=O)[O-])[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000826055262 601202946 /nfs/dbraw/zinc/20/29/46/601202946.db2.gz XPWQHNSVGINDPT-YVEFUNNKSA-N -1 0 382.376 3.196 20 5 GGBDRM C[C@H](C(=O)[O-])[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000826055260 601203066 /nfs/dbraw/zinc/20/30/66/601203066.db2.gz XPWQHNSVGINDPT-SJCJKPOMSA-N -1 0 382.376 3.196 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703566 601208949 /nfs/dbraw/zinc/20/89/49/601208949.db2.gz OVGKMQRKIYDCCR-CJNGLKHVSA-N -1 0 389.452 3.347 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCSC2(CCCCC2)C1 ZINC000833307039 601214285 /nfs/dbraw/zinc/21/42/85/601214285.db2.gz JMVJBZRPIOVDSU-UHFFFAOYSA-N -1 0 381.410 3.457 20 5 GGBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737636156 601225478 /nfs/dbraw/zinc/22/54/78/601225478.db2.gz MWDBPHPZJCHNAD-UHFFFAOYSA-N -1 0 396.396 3.031 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704574 601248195 /nfs/dbraw/zinc/24/81/95/601248195.db2.gz YMYSOUQGASBOHR-SMDDNHRTSA-N -1 0 389.433 3.201 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N(C)[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827694889 601249188 /nfs/dbraw/zinc/24/91/88/601249188.db2.gz KJHAWXRYFPNZAH-VXGBXAGGSA-N -1 0 389.383 3.134 20 5 GGBDRM Cc1ccccc1[C@H]1CCCN1c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977497 601250492 /nfs/dbraw/zinc/25/04/92/601250492.db2.gz LOULGYRBVGVMHB-RHSMWYFYSA-N -1 0 397.431 3.448 20 5 GGBDRM Cc1cccc([C@H]2CCCN2c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832967523 601250495 /nfs/dbraw/zinc/25/04/95/601250495.db2.gz GRHNSZJHBWVCIL-WMLDXEAASA-N -1 0 397.431 3.448 20 5 GGBDRM Cc1ccccc1[C@@H](C)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977206 601250501 /nfs/dbraw/zinc/25/05/01/601250501.db2.gz PQWBRRVNXNPGJP-UONOGXRCSA-N -1 0 385.420 3.304 20 5 GGBDRM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000833297426 601257529 /nfs/dbraw/zinc/25/75/29/601257529.db2.gz NRPHYFXSMZGBML-UHFFFAOYSA-N -1 0 392.172 3.368 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832874107 601262867 /nfs/dbraw/zinc/26/28/67/601262867.db2.gz HHQANBYHHROPDF-GFCCVEGCSA-N -1 0 375.406 3.189 20 5 GGBDRM CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828994411 601269310 /nfs/dbraw/zinc/26/93/10/601269310.db2.gz ZHFRAAPEXIBJBC-INIZCTEOSA-N -1 0 378.406 3.031 20 5 GGBDRM CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000828994177 601269372 /nfs/dbraw/zinc/26/93/72/601269372.db2.gz HGTDZPSAJXEBQB-INIZCTEOSA-N -1 0 378.406 3.031 20 5 GGBDRM CCOc1cc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)c([N+](=O)[O-])cc1OC ZINC000830032663 601275209 /nfs/dbraw/zinc/27/52/09/601275209.db2.gz MYTDQJZGPKIALV-UHFFFAOYSA-N -1 0 394.424 3.156 20 5 GGBDRM Nc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000485814887 601282800 /nfs/dbraw/zinc/28/28/00/601282800.db2.gz NKWMOUPCLPVJQF-UHFFFAOYSA-N -1 0 375.406 3.137 20 5 GGBDRM COc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000832157406 601289202 /nfs/dbraw/zinc/28/92/02/601289202.db2.gz PHWYYBGZMBXVBW-UHFFFAOYSA-N -1 0 390.323 3.042 20 5 GGBDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237536301 601298704 /nfs/dbraw/zinc/29/87/04/601298704.db2.gz QTKZQSHWXGDNCC-KPZWWZAWSA-N -1 0 383.404 3.361 20 5 GGBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262099274 601307306 /nfs/dbraw/zinc/30/73/06/601307306.db2.gz MROQWDSPAGPRTO-UHFFFAOYSA-N -1 0 377.422 3.482 20 5 GGBDRM C[C@H]1CCCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])n(C)c3)cc2[N+](=O)[O-])C1 ZINC000828271931 601317464 /nfs/dbraw/zinc/31/74/64/601317464.db2.gz RDLXZXFNCKWVML-LBPRGKRZSA-N -1 0 386.408 3.120 20 5 GGBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000828303191 601322446 /nfs/dbraw/zinc/32/24/46/601322446.db2.gz MIFOXKCQLXGUKT-UHFFFAOYSA-N -1 0 386.408 3.120 20 5 GGBDRM CC[C@@H](NC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828951163 601334300 /nfs/dbraw/zinc/33/43/00/601334300.db2.gz FBCRZAXZLTZZAT-QGZVFWFLSA-N -1 0 387.392 3.122 20 5 GGBDRM CC[C@H](NC(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000828951016 601334418 /nfs/dbraw/zinc/33/44/18/601334418.db2.gz AAPHGFXBZAXIRY-KRWDZBQOSA-N -1 0 387.392 3.009 20 5 GGBDRM CCCc1c(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)[nH]c(C)c1C(=O)[O-] ZINC000829562439 601350060 /nfs/dbraw/zinc/35/00/60/601350060.db2.gz FFJHRALIZFFNGB-UHFFFAOYSA-N -1 0 387.348 3.380 20 5 GGBDRM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000833323394 601355987 /nfs/dbraw/zinc/35/59/87/601355987.db2.gz KPDUGNKBGYUBOW-UHFFFAOYSA-N -1 0 390.295 3.113 20 5 GGBDRM O=C([O-])c1ccoc1COC(=O)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000833353881 601356999 /nfs/dbraw/zinc/35/69/99/601356999.db2.gz WNRBPYWDCYQZEB-UHFFFAOYSA-N -1 0 388.101 3.145 20 5 GGBDRM CCOc1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cc1[N+](=O)[O-] ZINC000830054057 601367958 /nfs/dbraw/zinc/36/79/58/601367958.db2.gz KOGWCRMPGHDELH-UHFFFAOYSA-N -1 0 385.332 3.321 20 5 GGBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)N1CCSc2ccccc21 ZINC000827890598 601373428 /nfs/dbraw/zinc/37/34/28/601373428.db2.gz VKRFUKJLQLHGEK-LLVKDONJSA-N -1 0 388.401 3.199 20 5 GGBDRM Cc1cc([C@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000832876166 601384631 /nfs/dbraw/zinc/38/46/31/601384631.db2.gz QPXJIXHPLKDCPQ-RYUDHWBXSA-N -1 0 389.383 3.418 20 5 GGBDRM Cc1cc([C@@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000832876164 601384664 /nfs/dbraw/zinc/38/46/64/601384664.db2.gz QPXJIXHPLKDCPQ-NEPJUHHUSA-N -1 0 389.383 3.418 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000013343100 601394319 /nfs/dbraw/zinc/39/43/19/601394319.db2.gz CAVYLJHUIMEZOW-AWEZNQCLSA-N -1 0 398.824 3.051 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000486039752 601394556 /nfs/dbraw/zinc/39/45/56/601394556.db2.gz JYZOCQGEZPSKOV-ZMZPIMSZSA-N -1 0 395.371 3.040 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832976027 601394939 /nfs/dbraw/zinc/39/49/39/601394939.db2.gz ICIMUENQVYBNOC-ZDUSSCGKSA-N -1 0 398.824 3.051 20 5 GGBDRM Cc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832921866 601399250 /nfs/dbraw/zinc/39/92/50/601399250.db2.gz XWAVYJDQNJLVEN-JTQLQIEISA-N -1 0 398.824 3.294 20 5 GGBDRM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832920847 601399419 /nfs/dbraw/zinc/39/94/19/601399419.db2.gz IGIQUTDLSQRAER-PPOCWRSBSA-N -1 0 390.417 3.041 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000833266051 601419123 /nfs/dbraw/zinc/41/91/23/601419123.db2.gz SJFBBPLDNJEUPF-HNNXBMFYSA-N -1 0 391.811 3.306 20 5 GGBDRM C/C(=C\COC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825781304 601419826 /nfs/dbraw/zinc/41/98/26/601419826.db2.gz UZUNZTLKBZKRIE-YQCJOKCJSA-N -1 0 385.376 3.351 20 5 GGBDRM Cc1ccc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000832921754 601427699 /nfs/dbraw/zinc/42/76/99/601427699.db2.gz VHPPZAQLGBNZQL-ZDUSSCGKSA-N -1 0 381.388 3.434 20 5 GGBDRM CCOC[C@@H]1CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829990278 601434109 /nfs/dbraw/zinc/43/41/09/601434109.db2.gz TUUHEGLEDFNBCZ-CQSZACIVSA-N -1 0 398.415 3.387 20 5 GGBDRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000833150934 601440804 /nfs/dbraw/zinc/44/08/04/601440804.db2.gz WROZORRXUYUOMW-OAHLLOKOSA-N -1 0 387.779 3.155 20 5 GGBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000832236079 601448214 /nfs/dbraw/zinc/44/82/14/601448214.db2.gz WRGRHPQCBULLNY-CQSZACIVSA-N -1 0 378.768 3.203 20 5 GGBDRM COc1ccc(CC(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)cc1[N+](=O)[O-] ZINC000832287290 601450398 /nfs/dbraw/zinc/45/03/98/601450398.db2.gz MAFMCVADHIKDSH-UHFFFAOYSA-N -1 0 398.371 3.250 20 5 GGBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000830390455 601462234 /nfs/dbraw/zinc/46/22/34/601462234.db2.gz HSLCXDZOWHPGSZ-UHFFFAOYSA-N -1 0 378.293 3.022 20 5 GGBDRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000830389930 601467210 /nfs/dbraw/zinc/46/72/10/601467210.db2.gz WYISYGFNUXPDOA-UHFFFAOYSA-N -1 0 386.316 3.059 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000262488514 601483629 /nfs/dbraw/zinc/48/36/29/601483629.db2.gz FUGFICBZQOBXQV-PXAZEXFGSA-N -1 0 386.429 3.286 20 5 GGBDRM O=C([O-])c1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc([N+](=O)[O-])c1 ZINC000833297124 601504924 /nfs/dbraw/zinc/50/49/24/601504924.db2.gz BOUDYOKPCXZOAW-UHFFFAOYSA-N -1 0 382.288 3.002 20 5 GGBDRM CC(=O)c1[nH]c(CC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000825936980 601506227 /nfs/dbraw/zinc/50/62/27/601506227.db2.gz PFYDCRABLBBMQJ-LBPRGKRZSA-N -1 0 388.376 3.287 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000832886144 601508568 /nfs/dbraw/zinc/50/85/68/601508568.db2.gz YIGXUUNLNPKBCV-UHFFFAOYSA-N -1 0 386.769 3.414 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832885934 601508584 /nfs/dbraw/zinc/50/85/84/601508584.db2.gz RIROROFVMIGHRN-UHFFFAOYSA-N -1 0 386.769 3.414 20 5 GGBDRM O=C([O-])c1ccc(S(=O)(=O)N(CC2CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000833324120 601524078 /nfs/dbraw/zinc/52/40/78/601524078.db2.gz XOZTXEVZZZJXDA-UHFFFAOYSA-N -1 0 390.417 3.288 20 5 GGBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc(C)c1OCC(=O)[O-] ZINC000832865140 601530511 /nfs/dbraw/zinc/53/05/11/601530511.db2.gz PDCNLPAXZHVBHL-UHFFFAOYSA-N -1 0 380.303 3.206 20 5 GGBDRM Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891328 601544682 /nfs/dbraw/zinc/54/46/82/601544682.db2.gz QXOQYXJQFTUWHN-UHFFFAOYSA-N -1 0 389.452 3.220 20 5 GGBDRM Cc1cc(N2CCC(NC(=O)c3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890794 601544696 /nfs/dbraw/zinc/54/46/96/601544696.db2.gz WUOPNDPAHIAAHB-UHFFFAOYSA-N -1 0 383.404 3.000 20 5 GGBDRM Cc1cc(N2CCC(C(=O)N3CCC(C)CC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888865 601545535 /nfs/dbraw/zinc/54/55/35/601545535.db2.gz MKKPLNFALSOSOX-UHFFFAOYSA-N -1 0 389.452 3.076 20 5 GGBDRM Cc1cc(N2CCC(NC(=O)C3CCCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890927 601545552 /nfs/dbraw/zinc/54/55/52/601545552.db2.gz ZVTNNGZKPIXPOC-UHFFFAOYSA-N -1 0 389.452 3.267 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000833307892 601563232 /nfs/dbraw/zinc/56/32/32/601563232.db2.gz SFYMLUNCVMUQOB-LLVKDONJSA-N -1 0 375.312 3.334 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000833116395 601582247 /nfs/dbraw/zinc/58/22/47/601582247.db2.gz UEDCDQFEXWDKAF-HNNXBMFYSA-N -1 0 380.809 3.282 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000832958348 601589008 /nfs/dbraw/zinc/58/90/08/601589008.db2.gz WPHDTHXMJSUBKP-AWEZNQCLSA-N -1 0 389.383 3.416 20 5 GGBDRM C[C@H]1CCCN(c2ccc(C(=O)NCC3(C(=O)[O-])CCCC3)cc2[N+](=O)[O-])C1 ZINC000610853244 601601071 /nfs/dbraw/zinc/60/10/71/601601071.db2.gz XMPCWSJKNJJLLX-AWEZNQCLSA-N -1 0 389.452 3.206 20 5 GGBDRM C[C@@H]1CCCN(c2ccc(C(=O)NCC3(C(=O)[O-])CCCC3)cc2[N+](=O)[O-])C1 ZINC000610853245 601601251 /nfs/dbraw/zinc/60/12/51/601601251.db2.gz XMPCWSJKNJJLLX-CQSZACIVSA-N -1 0 389.452 3.206 20 5 GGBDRM O=C([O-])C1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000610853266 601603237 /nfs/dbraw/zinc/60/32/37/601603237.db2.gz ZTHIZVDCPQMJGR-UHFFFAOYSA-N -1 0 375.406 3.093 20 5 GGBDRM Cc1cc(COC(=O)Cc2ccc([N+](=O)[O-])cc2Br)oc1C(=O)[O-] ZINC000832884871 601605946 /nfs/dbraw/zinc/60/59/46/601605946.db2.gz GYRYGBSYBJIXGK-UHFFFAOYSA-N -1 0 398.165 3.243 20 5 GGBDRM O=C([O-])Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000238081132 601614076 /nfs/dbraw/zinc/61/40/76/601614076.db2.gz DJRBYVJBOKMLQO-UHFFFAOYSA-N -1 0 386.407 3.421 20 5 GGBDRM O=C([O-])Cc1ccccc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000738629708 601617546 /nfs/dbraw/zinc/61/75/46/601617546.db2.gz RXRBAFLMPSVNSV-UHFFFAOYSA-N -1 0 398.293 3.415 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000262641622 601628867 /nfs/dbraw/zinc/62/88/67/601628867.db2.gz HNLLWVXAXPGNBO-CXAGYDPISA-N -1 0 398.419 3.242 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237712638 601629962 /nfs/dbraw/zinc/62/99/62/601629962.db2.gz PXPMCRBYPFNBQK-GRDNDAEWSA-N -1 0 389.452 3.156 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237476894 601630053 /nfs/dbraw/zinc/63/00/53/601630053.db2.gz PXPMCRBYPFNBQK-CKEIUWERSA-N -1 0 389.452 3.156 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cc([N+](=O)[O-])c1 ZINC000833296293 601630662 /nfs/dbraw/zinc/63/06/62/601630662.db2.gz QHVOURYIPIACLI-DLBZAZTESA-N -1 0 388.420 3.437 20 5 GGBDRM Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(C(=O)[O-])[nH]1 ZINC000832895997 601631503 /nfs/dbraw/zinc/63/15/03/601631503.db2.gz BBDPYUVELIEANB-UHFFFAOYSA-N -1 0 386.133 3.083 20 5 GGBDRM CCOc1cc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)ccc1OCC(=O)[O-] ZINC000830039022 601632656 /nfs/dbraw/zinc/63/26/56/601632656.db2.gz WHVVJHNSTDWHCI-UHFFFAOYSA-N -1 0 388.376 3.326 20 5 GGBDRM Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCC(=O)[O-] ZINC000262139833 601649039 /nfs/dbraw/zinc/64/90/39/601649039.db2.gz LTWCXBKYEBODLS-UHFFFAOYSA-N -1 0 386.404 3.340 20 5 GGBDRM CC(C)(NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000826621303 601649394 /nfs/dbraw/zinc/64/93/94/601649394.db2.gz JDXABFGHZYEQSC-UHFFFAOYSA-N -1 0 381.388 3.299 20 5 GGBDRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CC3 ZINC000238051110 601655461 /nfs/dbraw/zinc/65/54/61/601655461.db2.gz PSOGDBXXQVJJED-UHFFFAOYSA-N -1 0 393.399 3.292 20 5 GGBDRM O=C([O-])c1cccn2cc(COc3ccc(Br)cc3[N+](=O)[O-])nc12 ZINC000833334757 601677059 /nfs/dbraw/zinc/67/70/59/601677059.db2.gz 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ZINC000060443561 1407979330 /nfs/dbraw/zinc/97/93/30/1407979330.db2.gz HINZBCZBUXTTSF-UHFFFAOYSA-N -1 0 397.840 3.025 20 5 GGBDRM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000063147354 1408308418 /nfs/dbraw/zinc/30/84/18/1408308418.db2.gz UMFDUENWJVNNEQ-UHFFFAOYSA-N -1 0 395.412 3.017 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)c(NC(C)=O)c1 ZINC000063443819 1408355067 /nfs/dbraw/zinc/35/50/67/1408355067.db2.gz IOUHKHFGRHXOJO-UHFFFAOYSA-N -1 0 399.812 3.016 20 5 GGBDRM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823375985 1428319547 /nfs/dbraw/zinc/31/95/47/1428319547.db2.gz SVEZVPNRCAUAHA-UHFFFAOYSA-N -1 0 399.417 3.212 20 5 GGBDRM C[C@H](NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000064489389 1408567636 /nfs/dbraw/zinc/56/76/36/1408567636.db2.gz XLDKQGQTOLJILI-JTQLQIEISA-N -1 0 397.840 3.111 20 5 GGBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938233 1408629529 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CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC000176635258 1428386641 /nfs/dbraw/zinc/38/66/41/1428386641.db2.gz JHCIFBJIWOXQGV-UHFFFAOYSA-N -1 0 383.813 3.316 20 5 GGBDRM CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000067874435 1409247518 /nfs/dbraw/zinc/24/75/18/1409247518.db2.gz SXUHIRZTSCKOTP-UHFFFAOYSA-N -1 0 393.421 3.148 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000176635863 1428386919 /nfs/dbraw/zinc/38/69/19/1428386919.db2.gz GCFWVEXGGAMPDJ-UHFFFAOYSA-N -1 0 389.748 3.405 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000068298086 1409356126 /nfs/dbraw/zinc/35/61/26/1409356126.db2.gz UOQPVXSIUASKLC-SNVBAGLBSA-N -1 0 386.389 3.470 20 5 GGBDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176676715 1428401905 /nfs/dbraw/zinc/40/19/05/1428401905.db2.gz BDRLTFPSGSLYLE-UHFFFAOYSA-N -1 0 397.840 3.025 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000176676977 1428402128 /nfs/dbraw/zinc/40/21/28/1428402128.db2.gz REAWBQJZVUWKOC-HSZRJFAPSA-N -1 0 388.854 3.095 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000069676308 1409673757 /nfs/dbraw/zinc/67/37/57/1409673757.db2.gz VAWGBZBRXHVSIS-UHFFFAOYSA-N -1 0 385.401 3.466 20 5 GGBDRM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000070776136 1409773666 /nfs/dbraw/zinc/77/36/66/1409773666.db2.gz AMQPKGZCJZKHMB-ZDUSSCGKSA-N -1 0 391.449 3.232 20 5 GGBDRM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000070878820 1409796976 /nfs/dbraw/zinc/79/69/76/1409796976.db2.gz SNSLGWPFWIHJAO-UHFFFAOYSA-N -1 0 386.813 3.078 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1 ZINC000071081663 1409820196 /nfs/dbraw/zinc/82/01/96/1409820196.db2.gz GPAKLBJQABKQFD-UHFFFAOYSA-N -1 0 394.302 3.476 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000072045310 1409841090 /nfs/dbraw/zinc/84/10/90/1409841090.db2.gz GARQZGVLVPFSMZ-OAHLLOKOSA-N -1 0 388.405 3.123 20 5 GGBDRM Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000078552056 1409925075 /nfs/dbraw/zinc/92/50/75/1409925075.db2.gz UOIDOMIRRROSCD-UHFFFAOYSA-N -1 0 390.446 3.280 20 5 GGBDRM O=[N+]([O-])c1ccc2sc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)nc2c1 ZINC000738366105 1428445514 /nfs/dbraw/zinc/44/55/14/1428445514.db2.gz CKYNRONQQDASSE-ZZXKWVIFSA-N -1 0 390.388 3.203 20 5 GGBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000092709075 1410192432 /nfs/dbraw/zinc/19/24/32/1410192432.db2.gz IPFYXINFWNOFNF-UHFFFAOYSA-N -1 0 381.392 3.125 20 5 GGBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865332 1410276017 /nfs/dbraw/zinc/27/60/17/1410276017.db2.gz LIXOKGUEZXPFIQ-KRWDZBQOSA-N -1 0 380.347 3.475 20 5 GGBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 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CC(=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000823944196 1443300980 /nfs/dbraw/zinc/30/09/80/1443300980.db2.gz ZTYAMXIXUFYDDP-MDZDMXLPSA-N -1 0 396.432 3.367 20 5 GGBDRM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737852943 1443330717 /nfs/dbraw/zinc/33/07/17/1443330717.db2.gz HVGRYFSUGTVKNI-UHFFFAOYSA-N -1 0 387.783 3.104 20 5 GGBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cc2occc2s1 ZINC000826450977 1443436593 /nfs/dbraw/zinc/43/65/93/1443436593.db2.gz KYYXUGDRRITPHJ-UHFFFAOYSA-N -1 0 390.768 3.488 20 5 GGBDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737804200 1443453960 /nfs/dbraw/zinc/45/39/60/1443453960.db2.gz ZQBXVBDRTYVBIL-YVMONPNESA-N -1 0 385.767 3.185 20 5 GGBDRM O=[N+]([O-])c1ccc(NCCOc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000823640024 1443517850 /nfs/dbraw/zinc/51/78/50/1443517850.db2.gz PPQSIBQSVSKMLC-UHFFFAOYSA-N -1 0 376.376 3.419 20 5 GGBDRM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820909119 1443553403 /nfs/dbraw/zinc/55/34/03/1443553403.db2.gz UCOAKHQJFFOQLF-LLVKDONJSA-N -1 0 389.803 3.093 20 5 GGBDRM COc1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826204002 1443559634 /nfs/dbraw/zinc/55/96/34/1443559634.db2.gz RJPVKDANHUKQDD-UHFFFAOYSA-N -1 0 394.313 3.414 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825674719 1443562725 /nfs/dbraw/zinc/56/27/25/1443562725.db2.gz RGWNNPHDELQDGJ-UHFFFAOYSA-N -1 0 384.421 3.448 20 5 GGBDRM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)cc1 ZINC000822242377 1443563285 /nfs/dbraw/zinc/56/32/85/1443563285.db2.gz JPZQXTUGOOYOSG-HNNXBMFYSA-N -1 0 379.424 3.164 20 5 GGBDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736136775 1443578392 /nfs/dbraw/zinc/57/83/92/1443578392.db2.gz HLAFHWPZJJAGSI-MRVPVSSYSA-N -1 0 384.787 3.478 20 5 GGBDRM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826452719 1443744456 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Cc1cccc(C(=O)[O-])c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001594390829 958716249 /nfs/dbraw/zinc/71/62/49/958716249.db2.gz GMVZFNMKKWWLTE-UHFFFAOYSA-N -1 0 384.323 3.179 20 5 GGBDRM O=C([O-])C1(NC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CCCC1 ZINC001605734826 972370462 /nfs/dbraw/zinc/37/04/62/972370462.db2.gz CHCYDYVMXZIJFL-NSHDSACASA-N -1 0 393.293 3.034 20 5 GGBDRM Cc1cccc([C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594393022 958748580 /nfs/dbraw/zinc/74/85/80/958748580.db2.gz LFXCPIBYURSWMY-AWEZNQCLSA-N -1 0 393.193 3.221 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594394132 958755641 /nfs/dbraw/zinc/75/56/41/958755641.db2.gz RDWHPJFFQBMMLP-CQSZACIVSA-N -1 0 382.294 3.478 20 5 GGBDRM CC(C)(C)CC[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001573423846 958783441 /nfs/dbraw/zinc/78/34/41/958783441.db2.gz BLEOKQUYTFOGNX-NSHDSACASA-N -1 0 387.230 3.367 20 5 GGBDRM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001588517056 958806309 /nfs/dbraw/zinc/80/63/09/958806309.db2.gz HLKHERPSRHUDON-LBPRGKRZSA-N -1 0 399.831 3.216 20 5 GGBDRM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588517324 958807763 /nfs/dbraw/zinc/80/77/63/958807763.db2.gz NHWKIZYGNWTWKS-UHFFFAOYSA-N -1 0 377.740 3.157 20 5 GGBDRM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001573444073 958833070 /nfs/dbraw/zinc/83/30/70/958833070.db2.gz PTBNATYFFHQDFZ-UHFFFAOYSA-N -1 0 391.767 3.466 20 5 GGBDRM C[C@@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC001573594312 959418679 /nfs/dbraw/zinc/41/86/79/959418679.db2.gz ZZWZMVHMWGSSRO-GUYCJALGSA-N -1 0 383.404 3.092 20 5 GGBDRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178050537 959424045 /nfs/dbraw/zinc/42/40/45/959424045.db2.gz OPNQEBKZHQXYPJ-HNNXBMFYSA-N -1 0 382.397 3.461 20 5 GGBDRM O=C([O-])CCc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000178682068 959429315 /nfs/dbraw/zinc/42/93/15/959429315.db2.gz XWSISJKYUXFKBF-UHFFFAOYSA-N -1 0 380.360 3.050 20 5 GGBDRM C[C@](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001573622144 959516373 /nfs/dbraw/zinc/51/63/73/959516373.db2.gz FIRZTVRRMMUKAX-MRXNPFEDSA-N -1 0 393.193 3.087 20 5 GGBDRM Cc1c(Br)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001594253533 959634780 /nfs/dbraw/zinc/63/47/80/959634780.db2.gz DUXLYDUYPFZLHK-UHFFFAOYSA-N -1 0 380.154 3.011 20 5 GGBDRM Cc1c(Br)cc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001594254298 959641679 /nfs/dbraw/zinc/64/16/79/959641679.db2.gz XGJJKRLQOSCPRC-UHFFFAOYSA-N -1 0 399.241 3.383 20 5 GGBDRM Cc1c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC001594263460 959725519 /nfs/dbraw/zinc/72/55/19/959725519.db2.gz VEJYZTGQMPJUHX-CYBMUJFWSA-N -1 0 385.214 3.495 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccnc(C(=O)[O-])c3)cc2[N+](=O)[O-])C1 ZINC001573699728 959818829 /nfs/dbraw/zinc/81/88/29/959818829.db2.gz AWOWMGLBIMKVJH-CHWSQXEVSA-N -1 0 398.419 3.423 20 5 GGBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC001605793230 972506299 /nfs/dbraw/zinc/50/62/99/972506299.db2.gz BBZGPZLLFFSFMO-GOEBONIOSA-N -1 0 389.795 3.361 20 5 GGBDRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccc([N+](=O)[O-])cn3)sc2[C@H](C)O1 ZINC001573745409 960489493 /nfs/dbraw/zinc/48/94/93/960489493.db2.gz CZWAZXZEJQSGRJ-YUMQZZPRSA-N -1 0 377.378 3.024 20 5 GGBDRM CSc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1[N+](=O)[O-] ZINC001574257921 960550898 /nfs/dbraw/zinc/55/08/98/960550898.db2.gz ZEMAMUGHSYTJCH-UHFFFAOYSA-N -1 0 394.430 3.401 20 5 GGBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC001256551169 960659054 /nfs/dbraw/zinc/65/90/54/960659054.db2.gz NYSNPLVJLNQRLS-MRXNPFEDSA-N -1 0 394.387 3.035 20 5 GGBDRM Cc1c(Br)cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001574298483 960713079 /nfs/dbraw/zinc/71/30/79/960713079.db2.gz FQPFVXHBJXZZAL-LLVKDONJSA-N -1 0 399.241 3.383 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC001574298847 960716081 /nfs/dbraw/zinc/71/60/81/960716081.db2.gz PTDHPCMNBMCMJI-JTQLQIEISA-N -1 0 385.214 3.135 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001574298993 960719296 /nfs/dbraw/zinc/71/92/96/960719296.db2.gz SJOHQVOZCVMSDW-UHFFFAOYSA-N -1 0 399.241 3.383 20 5 GGBDRM Cc1c(NC(=O)c2ccc(C(=O)[O-])cn2)cc(Br)cc1[N+](=O)[O-] ZINC001574304034 960729392 /nfs/dbraw/zinc/72/93/92/960729392.db2.gz IDPJKIFFDSDNST-UHFFFAOYSA-N -1 0 380.154 3.011 20 5 GGBDRM COc1cccc(N2CCC(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC001261502234 960735512 /nfs/dbraw/zinc/73/55/12/960735512.db2.gz DMBNEIYNELLHEJ-UHFFFAOYSA-N -1 0 385.420 3.311 20 5 GGBDRM CC[C@H](C)[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000236930100 960801795 /nfs/dbraw/zinc/80/17/95/960801795.db2.gz GPGYUWPIMBXVKS-LKFCYVNXSA-N -1 0 391.346 3.031 20 5 GGBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000237067938 960862449 /nfs/dbraw/zinc/86/24/49/960862449.db2.gz OBWCIQWZEYVBMH-UHFFFAOYSA-N -1 0 383.404 3.165 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc([N+](=O)[O-])c1 ZINC001319221376 960928336 /nfs/dbraw/zinc/92/83/36/960928336.db2.gz NWTOTGSQEVSWLF-GFCCVEGCSA-N -1 0 394.387 3.189 20 5 GGBDRM Cc1cc(NC(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001574341052 960936192 /nfs/dbraw/zinc/93/61/92/960936192.db2.gz GOINEHFFQMISQS-UHFFFAOYSA-N -1 0 394.181 3.198 20 5 GGBDRM Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)ccc1C(=O)[O-] ZINC001574341426 960940107 /nfs/dbraw/zinc/94/01/07/960940107.db2.gz RRKZZOSKOUXNMU-UHFFFAOYSA-N -1 0 384.323 3.179 20 5 GGBDRM Cc1cc(C)n(-c2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000237706681 961002683 /nfs/dbraw/zinc/00/26/83/961002683.db2.gz CZILNZXMVHGGBT-UHFFFAOYSA-N -1 0 380.360 3.348 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001323486574 961016100 /nfs/dbraw/zinc/01/61/00/961016100.db2.gz BZZROWSACRQDFZ-UHFFFAOYSA-N -1 0 385.401 3.479 20 5 GGBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC001324939471 961045490 /nfs/dbraw/zinc/04/54/90/961045490.db2.gz QBUHPSXKRGHROL-MRXNPFEDSA-N -1 0 394.387 3.035 20 5 GGBDRM O=C([O-])c1ccnc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1[N+](=O)[O-] ZINC001326420646 961089837 /nfs/dbraw/zinc/08/98/37/961089837.db2.gz FNKWXUHZRQIHFR-INIZCTEOSA-N -1 0 393.403 3.422 20 5 GGBDRM CCOc1ccc(CN(C)c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])cc1OC ZINC001326420649 961090056 /nfs/dbraw/zinc/09/00/56/961090056.db2.gz FRYFHHMSMULSMD-UHFFFAOYSA-N -1 0 375.381 3.040 20 5 GGBDRM O=C([O-])CCCCCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000238135414 961122494 /nfs/dbraw/zinc/12/24/94/961122494.db2.gz BUOBOVCDCFTNHT-UHFFFAOYSA-N -1 0 377.422 3.483 20 5 GGBDRM Cc1csc(Sc2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2[N+](=O)[O-])n1 ZINC001574416102 961316526 /nfs/dbraw/zinc/31/65/26/961316526.db2.gz RPTNAMAZTGLKDP-XYPYZODXSA-N -1 0 393.446 3.104 20 5 GGBDRM CC(C)(NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001588789422 961358497 /nfs/dbraw/zinc/35/84/97/961358497.db2.gz TXWRBCJVCGJEDP-IRXDYDNUSA-N -1 0 383.404 3.442 20 5 GGBDRM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000261632713 961384925 /nfs/dbraw/zinc/38/49/25/961384925.db2.gz AZZGKNLNWZTMOJ-LBPRGKRZSA-N -1 0 399.403 3.208 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000262153660 961504172 /nfs/dbraw/zinc/50/41/72/961504172.db2.gz GCOUFEQTSYLILM-INIZCTEOSA-N -1 0 398.371 3.042 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573924887 961541370 /nfs/dbraw/zinc/54/13/70/961541370.db2.gz OOALWROILXDXOW-LSDHHAIUSA-N -1 0 385.376 3.428 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000262197676 961543525 /nfs/dbraw/zinc/54/35/25/961543525.db2.gz UFOMHKNNMDDUJM-IAGOWNOFSA-N -1 0 388.351 3.082 20 5 GGBDRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000262239107 961581484 /nfs/dbraw/zinc/58/14/84/961581484.db2.gz QDJIDIWBUWCFLG-SNVBAGLBSA-N -1 0 385.214 3.074 20 5 GGBDRM CC[C@@H](OC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC001573936082 961593532 /nfs/dbraw/zinc/59/35/32/961593532.db2.gz FTBNWSZXTVVTGA-ZWKOTPCHSA-N -1 0 397.387 3.309 20 5 GGBDRM CC(C)[C@@H](CNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588821696 961631073 /nfs/dbraw/zinc/63/10/73/961631073.db2.gz VGNOSMDIUJVXSM-SNVBAGLBSA-N -1 0 394.371 3.179 20 5 GGBDRM O=C([O-])CCc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000262381273 961683600 /nfs/dbraw/zinc/68/36/00/961683600.db2.gz KMCOURKHVJSGLC-UHFFFAOYSA-N -1 0 383.404 3.465 20 5 GGBDRM CCC[C@H](NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262383964 961685772 /nfs/dbraw/zinc/68/57/72/961685772.db2.gz PLIDJBKARWPJNO-NSHDSACASA-N -1 0 395.462 3.494 20 5 GGBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001333519787 961711919 /nfs/dbraw/zinc/71/19/19/961711919.db2.gz FKRIBTIEMJYQTC-KRWDZBQOSA-N -1 0 381.388 3.190 20 5 GGBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC001333550671 961717245 /nfs/dbraw/zinc/71/72/45/961717245.db2.gz GPUKJSIWNPXJJP-SFHVURJKSA-N -1 0 394.387 3.035 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000262584073 961780467 /nfs/dbraw/zinc/78/04/67/961780467.db2.gz GFUZCPFCMVMQNG-KRWDZBQOSA-N -1 0 389.383 3.258 20 5 GGBDRM Nc1c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc2ccccc2c1[N+](=O)[O-] ZINC001574508376 961797824 /nfs/dbraw/zinc/79/78/24/961797824.db2.gz VRULAXMWAJBVBR-NVXWUHKLSA-N -1 0 391.383 3.373 20 5 GGBDRM CCCOc1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1OC ZINC000262660239 961798237 /nfs/dbraw/zinc/79/82/37/961798237.db2.gz MRTPCRINSGQCOE-UHFFFAOYSA-N -1 0 388.376 3.020 20 5 GGBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000262821009 961888039 /nfs/dbraw/zinc/88/80/39/961888039.db2.gz ALTAGYQGSIDJEB-OAHLLOKOSA-N -1 0 397.431 3.311 20 5 GGBDRM O=C([O-])[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001574531529 961900732 /nfs/dbraw/zinc/90/07/32/961900732.db2.gz DBYAUCJMCOOPIK-OAHLLOKOSA-N -1 0 398.799 3.422 20 5 GGBDRM C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001335432851 961926698 /nfs/dbraw/zinc/92/66/98/961926698.db2.gz MWABCPWWQNVGQA-MRXNPFEDSA-N -1 0 380.447 3.006 20 5 GGBDRM CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC001588852968 961951943 /nfs/dbraw/zinc/95/19/43/961951943.db2.gz NIIJNWMXQFFHQX-SECBINFHSA-N -1 0 377.319 3.482 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000262899985 961978284 /nfs/dbraw/zinc/97/82/84/961978284.db2.gz ZWZILXBTNLUMDN-FZKQIMNGSA-N -1 0 384.388 3.191 20 5 GGBDRM 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COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263018028 962123027 /nfs/dbraw/zinc/12/30/27/962123027.db2.gz SXLXKKDZQKOGFM-UHFFFAOYSA-N -1 0 385.376 3.154 20 5 GGBDRM CC(C)C[C@@H](NC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C(=O)[O-] ZINC001588883085 962162724 /nfs/dbraw/zinc/16/27/24/962162724.db2.gz MSESITNKBPXCGX-BXKDBHETSA-N -1 0 395.309 3.136 20 5 GGBDRM Cc1cccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263045588 962174077 /nfs/dbraw/zinc/17/40/77/962174077.db2.gz FITLAOBYQZCIIP-JKSUJKDBSA-N -1 0 388.807 3.497 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263081477 962225711 /nfs/dbraw/zinc/22/57/11/962225711.db2.gz GYXCYNICKVOFNS-NEPJUHHUSA-N -1 0 384.816 3.119 20 5 GGBDRM Cc1c(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263134738 962287813 /nfs/dbraw/zinc/28/78/13/962287813.db2.gz UHRZGERKAIPOEV-JKSUJKDBSA-N -1 0 388.807 3.497 20 5 GGBDRM 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ZINC001574194690 962865109 /nfs/dbraw/zinc/86/51/09/962865109.db2.gz ALKHHVQCCWFCFW-UHFFFAOYSA-N -1 0 398.730 3.112 20 5 GGBDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263088147 967844560 /nfs/dbraw/zinc/84/45/60/967844560.db2.gz HPOQHNFSMFDVII-CQSZACIVSA-N -1 0 377.441 3.204 20 5 GGBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263165864 967856140 /nfs/dbraw/zinc/85/61/40/967856140.db2.gz IUULPWSBBQHSQD-PWSUYJOCSA-N -1 0 375.406 3.044 20 5 GGBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000263245648 967865349 /nfs/dbraw/zinc/86/53/49/967865349.db2.gz SEEDMLKBHQVWHA-JGVFFNPUSA-N -1 0 383.273 3.191 20 5 GGBDRM Nc1c(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc(F)cc1[N+](=O)[O-] ZINC000368888810 968059535 /nfs/dbraw/zinc/05/95/35/968059535.db2.gz NJSZBCLRQIBKSH-UHFFFAOYSA-N -1 0 387.367 3.034 20 5 GGBDRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000424420502 968366024 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387.348 3.340 20 5 GGBDRM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c2ccccc21 ZINC001606006559 973101412 /nfs/dbraw/zinc/10/14/12/973101412.db2.gz KMBMYXKPWBNDMC-HNNXBMFYSA-N -1 0 392.371 3.204 20 5 GGBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c2ccccc21 ZINC001606006562 973101642 /nfs/dbraw/zinc/10/16/42/973101642.db2.gz KMBMYXKPWBNDMC-OAHLLOKOSA-N -1 0 392.371 3.204 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C(=O)[O-])c1 ZINC001605327945 973175148 /nfs/dbraw/zinc/17/51/48/973175148.db2.gz IFOBNYVBYMAMAB-CQSZACIVSA-N -1 0 393.193 3.221 20 5 GGBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001605419945 973435114 /nfs/dbraw/zinc/43/51/14/973435114.db2.gz ASVMYSNIEHTYKY-QMMMGPOBSA-N -1 0 375.406 3.435 20 5 GGBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001605420004 973435934 /nfs/dbraw/zinc/43/59/34/973435934.db2.gz BMLWYGXSJDTWSB-APPZFPTMSA-N -1 0 391.405 3.332 20 5 GGBDRM 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CC(C)Oc1cc(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)ccc1[N+](=O)[O-] ZINC001591751705 975807057 /nfs/dbraw/zinc/80/70/57/975807057.db2.gz ZLFOVCARKWRJKL-UHFFFAOYSA-N -1 0 398.375 3.069 20 5 GGBDRM CC(C)Oc1cc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001591751643 975807159 /nfs/dbraw/zinc/80/71/59/975807159.db2.gz YFHTWWZGZMTXGR-MRXNPFEDSA-N -1 0 386.404 3.198 20 5 GGBDRM CC(C)Oc1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)ccc1[N+](=O)[O-] ZINC001591751613 975807430 /nfs/dbraw/zinc/80/74/30/975807430.db2.gz XEUROBIDQMXZSL-UHFFFAOYSA-N -1 0 377.324 3.367 20 5 GGBDRM CC(C)Oc1cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001591751711 975807590 /nfs/dbraw/zinc/80/75/90/975807590.db2.gz ZUVNYGLRUPIDOK-UHFFFAOYSA-N -1 0 384.388 3.279 20 5 GGBDRM CC(C)Oc1cc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001591752040 975811975 /nfs/dbraw/zinc/81/19/75/975811975.db2.gz NJWDUXFIILMKMM-HNNXBMFYSA-N -1 0 384.388 3.286 20 5 GGBDRM CC(C)Oc1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001591780989 975948332 /nfs/dbraw/zinc/94/83/32/975948332.db2.gz PGNXMPYDLWQHQA-UHFFFAOYSA-N -1 0 388.376 3.488 20 5 GGBDRM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(F)c1 ZINC001591788817 975976747 /nfs/dbraw/zinc/97/67/47/975976747.db2.gz WDLRVLKSKPLQIX-UHFFFAOYSA-N -1 0 398.368 3.020 20 5 GGBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001591791320 975983371 /nfs/dbraw/zinc/98/33/71/975983371.db2.gz QWIRCIKJZLAYSN-UHFFFAOYSA-N -1 0 396.440 3.000 20 5 GGBDRM CC(C)Oc1nc(N2CCc3c(F)ccc(C(=O)[O-])c3C2)ccc1[N+](=O)[O-] ZINC001591809781 976035746 /nfs/dbraw/zinc/03/57/46/976035746.db2.gz KZNSAISYKWQLTO-UHFFFAOYSA-N -1 0 375.356 3.177 20 5 GGBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001591829395 976092004 /nfs/dbraw/zinc/09/20/04/976092004.db2.gz JHFHTCZBVRWMBE-UHFFFAOYSA-N -1 0 381.435 3.180 20 5 GGBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001591829701 976095432 /nfs/dbraw/zinc/09/54/32/976095432.db2.gz YZZONDZUSNIRTM-UHFFFAOYSA-N -1 0 389.433 3.461 20 5 GGBDRM CC(C)c1cc([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001591931055 976431715 /nfs/dbraw/zinc/43/17/15/976431715.db2.gz GRZFYQSNRQWMPL-GFCCVEGCSA-N -1 0 386.408 3.159 20 5 GGBDRM CC(C)c1ccc(C(=O)OCC(=O)Nc2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001591947191 976489378 /nfs/dbraw/zinc/48/93/78/976489378.db2.gz HTNHNJPIIPVRHX-UHFFFAOYSA-N -1 0 392.389 3.273 20 5 GGBDRM CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001591953867 976519171 /nfs/dbraw/zinc/51/91/71/976519171.db2.gz FMOIYCGUOAANSJ-UHFFFAOYSA-N -1 0 392.433 3.237 20 5 GGBDRM CC(C)c1ccc(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c(C(=O)[O-])c1 ZINC001591968577 976566943 /nfs/dbraw/zinc/56/69/43/976566943.db2.gz QOVDABJHVRISQN-UHFFFAOYSA-N -1 0 395.375 3.249 20 5 GGBDRM CC(C)c1cccc(NC(=O)CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC001591992238 976624074 /nfs/dbraw/zinc/62/40/74/976624074.db2.gz SQUIIWZBWUFZQJ-FQEVSTJZSA-N -1 0 385.420 3.246 20 5 GGBDRM CC(C)c1nc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)sc1C(=O)[O-] ZINC001592028363 976726293 /nfs/dbraw/zinc/72/62/93/976726293.db2.gz DAVUOZDTKGZDMQ-UHFFFAOYSA-N -1 0 396.400 3.330 20 5 GGBDRM CC(C)c1noc2ncc(C(=O)OCc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc21 ZINC001592105780 976879250 /nfs/dbraw/zinc/87/92/50/976879250.db2.gz KABUHWKIDLPKKD-UHFFFAOYSA-N -1 0 385.332 3.310 20 5 GGBDRM CC(C)n1cc2c(n1)[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CCC2 ZINC001592131703 976969414 /nfs/dbraw/zinc/96/94/14/976969414.db2.gz XAALEONVOZGJKF-HNNXBMFYSA-N -1 0 388.424 3.003 20 5 GGBDRM CC(C)n1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])n1 ZINC001592142562 976988938 /nfs/dbraw/zinc/98/89/38/976988938.db2.gz GUHHQKNCPJPWME-UHFFFAOYSA-N -1 0 378.410 3.191 20 5 GGBDRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592180321 977090622 /nfs/dbraw/zinc/09/06/22/977090622.db2.gz COFNKGTXTJWODN-CQSZACIVSA-N -1 0 398.415 3.499 20 5 GGBDRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592181554 977107371 /nfs/dbraw/zinc/10/73/71/977107371.db2.gz WOJIEPDVRQVVEZ-CQSZACIVSA-N -1 0 398.415 3.499 20 5 GGBDRM C[C@@](CC(=O)[O-])(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001592277842 977556164 /nfs/dbraw/zinc/55/61/64/977556164.db2.gz HYIJFBWENHHSSB-KRWDZBQOSA-N -1 0 396.321 3.332 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001592277843 977556581 /nfs/dbraw/zinc/55/65/81/977556581.db2.gz HYIJFBWENHHSSB-QGZVFWFLSA-N -1 0 396.321 3.332 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC001592290523 977614396 /nfs/dbraw/zinc/61/43/96/977614396.db2.gz HPNOGMSUFVZDFE-HXUWFJFHSA-N -1 0 399.378 3.264 20 5 GGBDRM C[C@@](CC(=O)[O-])(NCc1c(Br)cccc1[N+](=O)[O-])c1ccncc1 ZINC001592316668 977695214 /nfs/dbraw/zinc/69/52/14/977695214.db2.gz CSWDGHRWVVVAFU-INIZCTEOSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@@](CC(=O)[O-])(NCc1ccc(Br)cc1[N+](=O)[O-])c1cccnc1 ZINC001592328293 977746010 /nfs/dbraw/zinc/74/60/10/977746010.db2.gz KOJXHXIEMRUYMM-INIZCTEOSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@@](CC(=O)[O-])(NCc1cc([N+](=O)[O-])ccc1Br)c1ccccn1 ZINC001592329121 977752928 /nfs/dbraw/zinc/75/29/28/977752928.db2.gz RJWVYDNTXSFRIU-INIZCTEOSA-N -1 0 394.225 3.232 20 5 GGBDRM C[C@@H](C[C@H](C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001592454661 978166138 /nfs/dbraw/zinc/16/61/38/978166138.db2.gz YQXCLODVCTVEHD-RYUDHWBXSA-N -1 0 381.429 3.326 20 5 GGBDRM C[C@H](CCCCNC(=O)OC(C)(C)C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592485393 978264476 /nfs/dbraw/zinc/26/44/76/978264476.db2.gz QKGXDAYTIPKJFB-LLVKDONJSA-N -1 0 382.417 3.183 20 5 GGBDRM C[C@@H](CCCCNC(=O)OC(C)(C)C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592485394 978264625 /nfs/dbraw/zinc/26/46/25/978264625.db2.gz QKGXDAYTIPKJFB-NSHDSACASA-N -1 0 382.417 3.183 20 5 GGBDRM C[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000737693776 978431708 /nfs/dbraw/zinc/43/17/08/978431708.db2.gz HRCVIQDYQOYUDM-VXGBXAGGSA-N -1 0 394.428 3.136 20 5 GGBDRM COc1cc(F)cc2sc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nc21 ZINC000737888548 978453917 /nfs/dbraw/zinc/45/39/17/978453917.db2.gz BMDLKOGXFSHDGH-UHFFFAOYSA-N -1 0 391.336 3.303 20 5 GGBDRM CN(CCc1ccc(Br)cc1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738000980 978465083 /nfs/dbraw/zinc/46/50/83/978465083.db2.gz NCSAHOGTMAQQPZ-UHFFFAOYSA-N -1 0 380.198 3.129 20 5 GGBDRM C[C@@H](CN(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC001592586651 978510803 /nfs/dbraw/zinc/51/08/03/978510803.db2.gz YWUCXYOKKPUYPX-LBPRGKRZSA-N -1 0 384.454 3.130 20 5 GGBDRM Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)[O-])cccc1[N+](=O)[O-] ZINC000738299079 978513911 /nfs/dbraw/zinc/51/39/11/978513911.db2.gz FKVXYAXKBFVGGP-NSHDSACASA-N -1 0 387.348 3.177 20 5 GGBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000738361949 978523731 /nfs/dbraw/zinc/52/37/31/978523731.db2.gz QKAQJHMDZZUBCN-UHFFFAOYSA-N -1 0 386.389 3.165 20 5 GGBDRM C[C@H](CN(Cc1ccccc1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)[O-] ZINC001592606128 978553613 /nfs/dbraw/zinc/55/36/13/978553613.db2.gz SQTAYVQJPWWHSI-CYBMUJFWSA-N -1 0 381.388 3.439 20 5 GGBDRM O=C([O-])c1cc(C(=O)NCCCOc2cccc3cccnc32)cc([N+](=O)[O-])c1 ZINC000738673099 978586267 /nfs/dbraw/zinc/58/62/67/978586267.db2.gz PHPSLYOWECDINM-UHFFFAOYSA-N -1 0 395.371 3.040 20 5 GGBDRM O=C([O-])c1ccnc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000738692247 978589497 /nfs/dbraw/zinc/58/94/97/978589497.db2.gz NHYUJGQPSACQKM-UHFFFAOYSA-N -1 0 389.795 3.441 20 5 GGBDRM O=C([O-])c1ccnc(NCCc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000738693859 978590799 /nfs/dbraw/zinc/59/07/99/978590799.db2.gz PULDYGPHKSWWCB-UHFFFAOYSA-N -1 0 384.161 3.244 20 5 GGBDRM O=C([O-])c1ccnc(NCc2cccc(NC(=O)C3CCCC3)c2)c1[N+](=O)[O-] ZINC000738693983 978590834 /nfs/dbraw/zinc/59/08/34/978590834.db2.gz TWVYHFKDPYGIDQ-UHFFFAOYSA-N -1 0 384.392 3.429 20 5 GGBDRM Cc1cccc(N(CC(=O)[O-])C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000738723601 978597402 /nfs/dbraw/zinc/59/74/02/978597402.db2.gz DAIOPHUARCEYHL-UHFFFAOYSA-N -1 0 398.400 3.153 20 5 GGBDRM Cc1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc([N+](=O)[O-])c1F ZINC000758169804 978704663 /nfs/dbraw/zinc/70/46/63/978704663.db2.gz LADGNHYBKDZQOX-NSHDSACASA-N -1 0 396.396 3.106 20 5 GGBDRM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000758169281 978704809 /nfs/dbraw/zinc/70/48/09/978704809.db2.gz IGUHWEPARFVKAN-JTQLQIEISA-N -1 0 398.824 3.312 20 5 GGBDRM C[C@@H](Cc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000762171606 978718049 /nfs/dbraw/zinc/71/80/49/978718049.db2.gz PRKCRUPSZWVIHD-VIFPVBQESA-N -1 0 386.389 3.115 20 5 GGBDRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1F ZINC000768266618 978737764 /nfs/dbraw/zinc/73/77/64/978737764.db2.gz WTXNNBQFZWFJPF-UHFFFAOYSA-N -1 0 388.760 3.195 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000795327783 978832129 /nfs/dbraw/zinc/83/21/29/978832129.db2.gz BMIIUGMOJSFEDZ-UHFFFAOYSA-N -1 0 384.797 3.364 20 5 GGBDRM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)n1 ZINC001595016296 979071253 /nfs/dbraw/zinc/07/12/53/979071253.db2.gz SWXHYELBVLEORF-SNVBAGLBSA-N -1 0 386.408 3.395 20 5 GGBDRM O=C([O-])CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1 ZINC000833245408 979128298 /nfs/dbraw/zinc/12/82/98/979128298.db2.gz SDBVWCOCWDTBMO-UHFFFAOYSA-N -1 0 397.156 3.228 20 5 GGBDRM O=C([O-])c1cc(C(=O)Nc2c(F)cccc2Br)cc([N+](=O)[O-])c1 ZINC000833298396 979144004 /nfs/dbraw/zinc/14/40/04/979144004.db2.gz SZSSUACAIMDREX-UHFFFAOYSA-N -1 0 383.129 3.447 20 5 GGBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1nccs1 ZINC001592694752 979149886 /nfs/dbraw/zinc/14/98/86/979149886.db2.gz 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C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])Oc1ccc(Br)cc1 ZINC001592729483 979243338 /nfs/dbraw/zinc/24/33/38/979243338.db2.gz QEKKJPFMKNUUGA-SECBINFHSA-N -1 0 396.197 3.330 20 5 GGBDRM CCC(CC)(C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001595048319 979265293 /nfs/dbraw/zinc/26/52/93/979265293.db2.gz XXXZSWCMWCHHJH-UHFFFAOYSA-N -1 0 381.381 3.347 20 5 GGBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001595053357 979286312 /nfs/dbraw/zinc/28/63/12/979286312.db2.gz KAJQWGPACJXBKP-UHFFFAOYSA-N -1 0 392.330 3.299 20 5 GGBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001595053916 979291550 /nfs/dbraw/zinc/29/15/50/979291550.db2.gz LWIFVHPOVLLKOI-UHFFFAOYSA-N -1 0 379.232 3.182 20 5 GGBDRM O=C([O-])c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1 ZINC000841501515 979303134 /nfs/dbraw/zinc/30/31/34/979303134.db2.gz JRZKWNBXXIFYGH-UHFFFAOYSA-N -1 0 383.404 3.465 20 5 GGBDRM O=C([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc1 ZINC000843034298 979328550 /nfs/dbraw/zinc/32/85/50/979328550.db2.gz IQZYMPFPPXKDGW-UHFFFAOYSA-N -1 0 396.325 3.033 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000844208082 979358202 /nfs/dbraw/zinc/35/82/02/979358202.db2.gz OQWIIAQDUYWDRN-UHFFFAOYSA-N -1 0 380.404 3.482 20 5 GGBDRM Cc1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000844211713 979367393 /nfs/dbraw/zinc/36/73/93/979367393.db2.gz GZTWTQLUTIVREG-ALCCZGGFSA-N -1 0 383.408 3.003 20 5 GGBDRM C[C@@](COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)(C(=O)[O-])c1ccccc1 ZINC001592765179 979368570 /nfs/dbraw/zinc/36/85/70/979368570.db2.gz PCRZGKGWFJIPEX-FQEVSTJZSA-N -1 0 382.372 3.204 20 5 GGBDRM O=C([O-])Cc1ccc(N2CC[C@@H](OCCCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844212722 979370083 /nfs/dbraw/zinc/37/00/83/979370083.db2.gz NBDPZVUTBJWPEJ-GOSISDBHSA-N -1 0 384.432 3.450 20 5 GGBDRM CC(C)OCc1nc([C@@H](C)Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])no1 ZINC000844213029 979371785 /nfs/dbraw/zinc/37/17/85/979371785.db2.gz FLIAXOWBKCBETQ-OKPNEXGHSA-N -1 0 376.369 3.174 20 5 GGBDRM C[C@H](c1ccsc1)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213139 979371828 /nfs/dbraw/zinc/37/18/28/979371828.db2.gz UXDDAEPKLIBGHG-CYBMUJFWSA-N -1 0 375.450 3.167 20 5 GGBDRM CC(C)OCc1nc([C@@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])no1 ZINC000844213028 979372013 /nfs/dbraw/zinc/37/20/13/979372013.db2.gz FLIAXOWBKCBETQ-JPVGGKMYSA-N -1 0 376.369 3.174 20 5 GGBDRM CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000844213666 979372369 /nfs/dbraw/zinc/37/23/69/979372369.db2.gz FDFQLUWVEHUVPG-CYBMUJFWSA-N -1 0 383.404 3.211 20 5 GGBDRM CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000844213667 979372713 /nfs/dbraw/zinc/37/27/13/979372713.db2.gz FDFQLUWVEHUVPG-ZDUSSCGKSA-N -1 0 383.404 3.211 20 5 GGBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000844213947 979373797 /nfs/dbraw/zinc/37/37/97/979373797.db2.gz PTCVCCABTHETRZ-CYBMUJFWSA-N -1 0 383.404 3.211 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC[C@@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844215053 979375982 /nfs/dbraw/zinc/37/59/82/979375982.db2.gz NAQDHUHPFBNRQH-OAQYLSRUSA-N -1 0 384.432 3.044 20 5 GGBDRM CC1(C)Oc2ccsc2[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1O ZINC000844216125 979378107 /nfs/dbraw/zinc/37/81/07/979378107.db2.gz NVBNUHZIFHRXGC-AAQZWPSQSA-N -1 0 390.417 3.439 20 5 GGBDRM CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C(=O)[O-])cc1Br ZINC000844218707 979381692 /nfs/dbraw/zinc/38/16/92/979381692.db2.gz MZLYMVFSRULDCW-UHFFFAOYSA-N -1 0 383.202 3.192 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(O)(c3ccccc3Cl)CC2)n1 ZINC000844218821 979382821 /nfs/dbraw/zinc/38/28/21/979382821.db2.gz RCOPEIUTZJJFTC-UHFFFAOYSA-N -1 0 391.811 3.138 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@H](O)c3ccccc3C)CC2)n1 ZINC000844219835 979384026 /nfs/dbraw/zinc/38/40/26/979384026.db2.gz XFQGYDZMIMCWNN-SFHVURJKSA-N -1 0 385.420 3.255 20 5 GGBDRM CCC(CC)C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001595103998 979416888 /nfs/dbraw/zinc/41/68/88/979416888.db2.gz NMVJPUOYFQSPQA-UHFFFAOYSA-N -1 0 383.832 3.031 20 5 GGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000846244120 979421053 /nfs/dbraw/zinc/42/10/53/979421053.db2.gz MALJOTABIXSLCG-KRWDZBQOSA-N -1 0 378.331 3.145 20 5 GGBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000851605762 979529818 /nfs/dbraw/zinc/52/98/18/979529818.db2.gz FBTVUVRMWKDGIK-NSHDSACASA-N -1 0 391.193 3.068 20 5 GGBDRM C[C@@H](CSCc1cc(I)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001592825305 979542419 /nfs/dbraw/zinc/54/24/19/979542419.db2.gz DWBLHNPTZLEAIO-ZETCQYMHSA-N -1 0 381.191 3.153 20 5 GGBDRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1 ZINC000851620668 979550107 /nfs/dbraw/zinc/55/01/07/979550107.db2.gz QYWZQXDVEHEXNS-OAHLLOKOSA-N -1 0 389.452 3.062 20 5 GGBDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001592837618 979581945 /nfs/dbraw/zinc/58/19/45/979581945.db2.gz AUBJFKNYIZPUPJ-SFHVURJKSA-N -1 0 394.786 3.132 20 5 GGBDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001592837605 979582175 /nfs/dbraw/zinc/58/21/75/979582175.db2.gz AUBJFKNYIZPUPJ-GOSISDBHSA-N -1 0 394.786 3.132 20 5 GGBDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592847128 979623986 /nfs/dbraw/zinc/62/39/86/979623986.db2.gz UBLDCTLLHCDBPW-KRWDZBQOSA-N -1 0 380.759 3.203 20 5 GGBDRM CC[C@@](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC001595154287 979658951 /nfs/dbraw/zinc/65/89/51/979658951.db2.gz LXCRWGYGAQIMFS-SFHVURJKSA-N -1 0 375.356 3.288 20 5 GGBDRM CC[C@@](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595159253 979673116 /nfs/dbraw/zinc/67/31/16/979673116.db2.gz OZVXGKKKUFAZKD-SFHVURJKSA-N -1 0 376.796 3.411 20 5 GGBDRM C[C@@H](Cc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1)C(=O)[O-] ZINC001592858916 979677765 /nfs/dbraw/zinc/67/77/65/979677765.db2.gz MPNNIXPWUOCQFE-JTQLQIEISA-N -1 0 378.331 3.317 20 5 GGBDRM CC[C@@](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595160079 979682712 /nfs/dbraw/zinc/68/27/12/979682712.db2.gz YYUCBVCYPMTCHW-SFHVURJKSA-N -1 0 376.796 3.411 20 5 GGBDRM CC[C@@](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595163947 979704320 /nfs/dbraw/zinc/70/43/20/979704320.db2.gz DPIFSBWZMDDQGU-SFHVURJKSA-N -1 0 376.796 3.411 20 5 GGBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000864146814 979752278 /nfs/dbraw/zinc/75/22/78/979752278.db2.gz YWJOEEVUPXHHER-INIZCTEOSA-N -1 0 382.294 3.227 20 5 GGBDRM Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)oc1C(=O)[O-] ZINC000864190303 979842015 /nfs/dbraw/zinc/84/20/15/979842015.db2.gz XAVONYWHEOQKIH-UHFFFAOYSA-N -1 0 387.392 3.115 20 5 GGBDRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C2 ZINC000864208294 979891216 /nfs/dbraw/zinc/89/12/16/979891216.db2.gz AMLQTBQVLXNJFS-UVARLRKDSA-N -1 0 382.372 3.370 20 5 GGBDRM C[C@H](Cn1ncc2ccccc21)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592929827 979961209 /nfs/dbraw/zinc/96/12/09/979961209.db2.gz NIEFUOIHEVPJPT-GFCCVEGCSA-N -1 0 383.360 3.022 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001595211183 979989025 /nfs/dbraw/zinc/98/90/25/979989025.db2.gz DILQSXVVBIQAAS-ZWKOTPCHSA-N -1 0 384.432 3.366 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001595211242 979990059 /nfs/dbraw/zinc/99/00/59/979990059.db2.gz FMTWSLLRLPRLAR-XOBRGWDASA-N -1 0 388.395 3.419 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001595211780 979994912 /nfs/dbraw/zinc/99/49/12/979994912.db2.gz IYLFTYHSDVTEKT-CYBMUJFWSA-N -1 0 396.403 3.387 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O ZINC001595212781 980002667 /nfs/dbraw/zinc/00/26/67/980002667.db2.gz RGXRPUYHAGCIRJ-GFCCVEGCSA-N -1 0 388.376 3.215 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595213745 980010004 /nfs/dbraw/zinc/01/00/04/980010004.db2.gz WWZILUNEDRTAOX-KDOFPFPSSA-N -1 0 388.395 3.287 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001595213860 980011231 /nfs/dbraw/zinc/01/12/31/980011231.db2.gz XZYPGPYNOCHAFM-HNNXBMFYSA-N -1 0 386.404 3.057 20 5 GGBDRM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592989575 980174224 /nfs/dbraw/zinc/17/42/24/980174224.db2.gz IFSCVGQNEKRQDB-KBXCAEBGSA-N -1 0 384.432 3.321 20 5 GGBDRM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592989578 980174617 /nfs/dbraw/zinc/17/46/17/980174617.db2.gz IFSCVGQNEKRQDB-RDTXWAMCSA-N -1 0 384.432 3.321 20 5 GGBDRM C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001592991030 980185948 /nfs/dbraw/zinc/18/59/48/980185948.db2.gz VYLBANNDBYNEDT-CYBMUJFWSA-N -1 0 386.404 3.213 20 5 GGBDRM C[C@@](NC(=O)[C@@H]1CCSc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593008791 980232118 /nfs/dbraw/zinc/23/21/18/980232118.db2.gz JHDYCNYHWGFNJP-BEFAXECRSA-N -1 0 386.429 3.290 20 5 GGBDRM C[C@](NC(=O)/C=C\c1nc2ccccc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010829 980244240 /nfs/dbraw/zinc/24/42/40/980244240.db2.gz KEYULZOLCLTCBK-ZBTAVZRMSA-N -1 0 397.412 3.334 20 5 GGBDRM CC(C)(CCC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC001593015211 980261034 /nfs/dbraw/zinc/26/10/34/980261034.db2.gz JEKNTNVJKXCKSL-HNNXBMFYSA-N -1 0 377.224 3.245 20 5 GGBDRM C[C@@](NC(=O)CCSc1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593019340 980268993 /nfs/dbraw/zinc/26/89/93/980268993.db2.gz QOJPRTAKDQIOJA-SFHVURJKSA-N -1 0 392.408 3.332 20 5 GGBDRM C[C@](NC(=O)CCc1ccc(Cl)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593019468 980270686 /nfs/dbraw/zinc/27/06/86/980270686.db2.gz COHBWIKPSWUXDS-GOSISDBHSA-N -1 0 376.796 3.297 20 5 GGBDRM C[C@@](NC(=O)CCn1ccc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593025889 980285425 /nfs/dbraw/zinc/28/54/25/980285425.db2.gz NFTDUZCHHRIFLR-FQEVSTJZSA-N -1 0 381.388 3.056 20 5 GGBDRM C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593037015 980316615 /nfs/dbraw/zinc/31/66/15/980316615.db2.gz UTILUGBFWCNWEV-GFCCVEGCSA-N -1 0 390.417 3.028 20 5 GGBDRM C[C@H](NC(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001593037312 980317052 /nfs/dbraw/zinc/31/70/52/980317052.db2.gz YULQHQFXAVHDRZ-JTQLQIEISA-N -1 0 378.768 3.203 20 5 GGBDRM CC[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC001595316546 980484340 /nfs/dbraw/zinc/48/43/40/980484340.db2.gz GEXJJNCLQNZQLY-OWNNVSBGSA-N -1 0 389.433 3.261 20 5 GGBDRM CC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC001595316547 980484373 /nfs/dbraw/zinc/48/43/73/980484373.db2.gz GEXJJNCLQNZQLY-QPBFKRLHSA-N -1 0 389.433 3.261 20 5 GGBDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901786712 980516600 /nfs/dbraw/zinc/51/66/00/980516600.db2.gz MHFNORQGVOYZCD-GFCCVEGCSA-N -1 0 397.147 3.196 20 5 GGBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901786713 980516730 /nfs/dbraw/zinc/51/67/30/980516730.db2.gz MHFNORQGVOYZCD-LBPRGKRZSA-N -1 0 397.147 3.196 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001595360857 980756287 /nfs/dbraw/zinc/75/62/87/980756287.db2.gz BPHKYNROCNRKQO-KRWDZBQOSA-N -1 0 385.420 3.461 20 5 GGBDRM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595364150 980790794 /nfs/dbraw/zinc/79/07/94/980790794.db2.gz PJXXZQRBXNUHJJ-MRXNPFEDSA-N -1 0 392.433 3.455 20 5 GGBDRM CC[C@H]1c2ccsc2CCN1C(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595504975 981280536 /nfs/dbraw/zinc/28/05/36/981280536.db2.gz SNHIYSUBKQIKHU-ZDUSSCGKSA-N -1 0 390.417 3.269 20 5 GGBDRM CCCC(=O)Nc1ccc(C(=O)COc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001595529550 981364940 /nfs/dbraw/zinc/36/49/40/981364940.db2.gz YMHNEPUPMAFDIJ-UHFFFAOYSA-N -1 0 386.360 3.293 20 5 GGBDRM CCC[C@](C)(NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001595554404 981436760 /nfs/dbraw/zinc/43/67/60/981436760.db2.gz YVSIIULFJPLSEI-YRVVQQKDSA-N -1 0 391.468 3.450 20 5 GGBDRM CCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001595604262 981587973 /nfs/dbraw/zinc/58/79/73/981587973.db2.gz BOCPVWXOYTZIMQ-HNNXBMFYSA-N -1 0 378.406 3.113 20 5 GGBDRM CCCC1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001595620478 981690156 /nfs/dbraw/zinc/69/01/56/981690156.db2.gz JPELSOPKQAOEGC-UHFFFAOYSA-N -1 0 384.454 3.272 20 5 GGBDRM CC[C@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001594770466 981739323 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FNDUUHRPWAXDGP-SDBXPKJASA-N -1 0 387.230 3.285 20 5 GGBDRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001594945276 982631916 /nfs/dbraw/zinc/63/19/16/982631916.db2.gz AVWFMBBYZLNOLJ-CJNGLKHVSA-N -1 0 391.468 3.450 20 5 GGBDRM CC[C@@H](C)C[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594946495 982642067 /nfs/dbraw/zinc/64/20/67/982642067.db2.gz XCHKRFVDQZESJV-SKDRFNHKSA-N -1 0 392.330 3.155 20 5 GGBDRM CC[C@H](C)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)[O-] ZINC001594951745 982661370 /nfs/dbraw/zinc/66/13/70/982661370.db2.gz BCYPTBYNZLOQKU-XVKPBYJWSA-N -1 0 399.252 3.069 20 5 GGBDRM COc1cc(OC)c(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000917084903 982679603 /nfs/dbraw/zinc/67/96/03/982679603.db2.gz DFCNYURVYPZEFZ-FNORWQNLSA-N -1 0 388.376 3.331 20 5 GGBDRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001594991102 982851836 /nfs/dbraw/zinc/85/18/36/982851836.db2.gz ATOFFSJZLZNDIJ-LLVKDONJSA-N -1 0 385.376 3.074 20 5 GGBDRM CCCN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595888538 982918135 /nfs/dbraw/zinc/91/81/35/982918135.db2.gz MFKFYPSFEKKRFW-UHFFFAOYSA-N -1 0 392.433 3.202 20 5 GGBDRM CC[C@@H](C)Oc1cccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001595005202 982920178 /nfs/dbraw/zinc/92/01/78/982920178.db2.gz OBBXTRKADMMUTP-LLVKDONJSA-N -1 0 395.389 3.238 20 5 GGBDRM CCCN(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595890950 982923404 /nfs/dbraw/zinc/92/34/04/982923404.db2.gz HCRRNNRJOZLFQV-UHFFFAOYSA-N -1 0 396.396 3.033 20 5 GGBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC001116491323 982931045 /nfs/dbraw/zinc/93/10/45/982931045.db2.gz MVRVQOBUYUKADK-SFHVURJKSA-N -1 0 381.388 3.259 20 5 GGBDRM CCCN(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595894751 982932264 /nfs/dbraw/zinc/93/22/64/982932264.db2.gz UXFLRBTVPGFGTB-UHFFFAOYSA-N -1 0 382.369 3.037 20 5 GGBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001118807176 982962613 /nfs/dbraw/zinc/96/26/13/982962613.db2.gz HTHQOMFXRRZOKT-KBPBESRZSA-N -1 0 391.468 3.402 20 5 GGBDRM CCCOc1cc(OC)ccc1C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595952748 983130457 /nfs/dbraw/zinc/13/04/57/983130457.db2.gz SBZWHAMXROVDPQ-UHFFFAOYSA-N -1 0 375.333 3.310 20 5 GGBDRM CCCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])n(C)n1 ZINC001596058586 983365650 /nfs/dbraw/zinc/36/56/50/983365650.db2.gz MLLBTLBHVUOFGD-UHFFFAOYSA-N -1 0 392.437 3.100 20 5 GGBDRM CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC001596068875 983383120 /nfs/dbraw/zinc/38/31/20/983383120.db2.gz OKNPEDNBNJZSBA-UHFFFAOYSA-N -1 0 378.406 3.355 20 5 GGBDRM CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001596139835 983491731 /nfs/dbraw/zinc/49/17/31/983491731.db2.gz KJOLKPKXXNWHOR-UHFFFAOYSA-N -1 0 387.348 3.187 20 5 GGBDRM CCN(C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC001596145806 983501896 /nfs/dbraw/zinc/50/18/96/983501896.db2.gz VRSJYHQYKDXULA-LBPRGKRZSA-N -1 0 390.367 3.421 20 5 GGBDRM CCN(C(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC001596145805 983501920 /nfs/dbraw/zinc/50/19/20/983501920.db2.gz VRSJYHQYKDXULA-GFCCVEGCSA-N -1 0 390.367 3.421 20 5 GGBDRM CCN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1ccccc1C(=O)[O-] ZINC001596167521 983532577 /nfs/dbraw/zinc/53/25/77/983532577.db2.gz UHKRESUWFWXWBI-UHFFFAOYSA-N -1 0 394.387 3.205 20 5 GGBDRM CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001596181615 983551729 /nfs/dbraw/zinc/55/17/29/983551729.db2.gz UHMWQRONPSQKIK-LLVKDONJSA-N -1 0 396.396 3.204 20 5 GGBDRM CCN(CC)C(=O)CCC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001596242154 983641335 /nfs/dbraw/zinc/64/13/35/983641335.db2.gz BNHVFYVPLLNJRH-UHFFFAOYSA-N -1 0 391.468 3.466 20 5 GGBDRM CCN(CC)C(=O)OC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596250076 983654103 /nfs/dbraw/zinc/65/41/03/983654103.db2.gz MINLEOCBLSVGIO-INIZCTEOSA-N -1 0 393.440 3.126 20 5 GGBDRM CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001596284302 983704399 /nfs/dbraw/zinc/70/43/99/983704399.db2.gz QGUYGPBKXMZXAO-UHFFFAOYSA-N -1 0 394.405 3.116 20 5 GGBDRM CCN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001596375332 983884730 /nfs/dbraw/zinc/88/47/30/983884730.db2.gz VLSFTQFJPZKDJM-UHFFFAOYSA-N -1 0 389.433 3.219 20 5 GGBDRM CCN(Cc1nc2c(s1)C[C@H](C)CC2)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596377775 983888791 /nfs/dbraw/zinc/88/87/91/983888791.db2.gz FTNYRFQSMKDYSJ-SNVBAGLBSA-N -1 0 376.438 3.296 20 5 GGBDRM CCNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001596501152 984253059 /nfs/dbraw/zinc/25/30/59/984253059.db2.gz FPPXUIFCBXAEIC-OAHLLOKOSA-N -1 0 395.774 3.375 20 5 GGBDRM CCNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC001596501273 984254309 /nfs/dbraw/zinc/25/43/09/984254309.db2.gz MLCZWUMWJSSPJB-MRXNPFEDSA-N -1 0 375.356 3.030 20 5 GGBDRM CCNc1ccc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC001596501382 984254959 /nfs/dbraw/zinc/25/49/59/984254959.db2.gz SCMVZMKXFGWHFA-UHFFFAOYSA-N -1 0 376.394 3.311 20 5 GGBDRM CCNc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001596501369 984255030 /nfs/dbraw/zinc/25/50/30/984255030.db2.gz RJELEUXFUWFRDN-UHFFFAOYSA-N -1 0 398.297 3.391 20 5 GGBDRM C/C(=C/C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC001588933339 984612296 /nfs/dbraw/zinc/61/22/96/984612296.db2.gz REPHHNAJHRGHFF-KAMYIIQDSA-N -1 0 384.388 3.120 20 5 GGBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001599886911 984647280 /nfs/dbraw/zinc/64/72/80/984647280.db2.gz CMNDWFGALBAAPR-OAHLLOKOSA-N -1 0 385.420 3.289 20 5 GGBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1cncc(F)c1 ZINC001599900663 984818361 /nfs/dbraw/zinc/81/83/61/984818361.db2.gz KTSRISULNYYIPK-JTQLQIEISA-N -1 0 393.396 3.187 20 5 GGBDRM CCOC(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc([N+](=O)[O-])c1 ZINC001596702486 984878385 /nfs/dbraw/zinc/87/83/85/984878385.db2.gz DQWIISOZZBDRBN-UHFFFAOYSA-N -1 0 392.751 3.375 20 5 GGBDRM CCOC(=O)c1cc(C(=O)Nc2ccc(CC)cc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001596702471 984878605 /nfs/dbraw/zinc/87/86/05/984878605.db2.gz DGRNIIDASFZHBY-UHFFFAOYSA-N -1 0 386.360 3.284 20 5 GGBDRM CCOC(=O)c1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC001596703218 984885738 /nfs/dbraw/zinc/88/57/38/984885738.db2.gz SBHNMOKYYTWGME-DLBZAZTESA-N -1 0 398.371 3.212 20 5 GGBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589001422 984944472 /nfs/dbraw/zinc/94/44/72/984944472.db2.gz IXNZGQLYAOHYNE-VWHUOQICSA-N -1 0 380.400 3.325 20 5 GGBDRM 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ZINC001599971671 986016707 /nfs/dbraw/zinc/01/67/07/986016707.db2.gz IRVFPCNYWNVZPH-ZDUSSCGKSA-N -1 0 385.214 3.135 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001599971670 986017188 /nfs/dbraw/zinc/01/71/88/986017188.db2.gz IRVFPCNYWNVZPH-CYBMUJFWSA-N -1 0 385.214 3.135 20 5 GGBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589301953 986063527 /nfs/dbraw/zinc/06/35/27/986063527.db2.gz LHEMWSYIHGPAHG-LLVKDONJSA-N -1 0 375.406 3.336 20 5 GGBDRM Cc1c(Br)cncc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599974569 986068549 /nfs/dbraw/zinc/06/85/49/986068549.db2.gz UJACKHSNXURZFQ-UHFFFAOYSA-N -1 0 380.154 3.011 20 5 GGBDRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589341573 986252560 /nfs/dbraw/zinc/25/25/60/986252560.db2.gz HLPGZYFLCHKIIK-NSHDSACASA-N -1 0 378.331 3.090 20 5 GGBDRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC001589346920 986292285 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CCc1[nH]c(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c(C)c1C(=O)[O-] ZINC001597372996 987557067 /nfs/dbraw/zinc/55/70/67/987557067.db2.gz LYGDQQMVBWVQAW-UHFFFAOYSA-N -1 0 382.376 3.023 20 5 GGBDRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001589644083 987576860 /nfs/dbraw/zinc/57/68/60/987576860.db2.gz NBZXMCHZCBQBQA-UHFFFAOYSA-N -1 0 399.808 3.378 20 5 GGBDRM CC(C)(C(=O)[O-])c1csc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC001589649586 987591164 /nfs/dbraw/zinc/59/11/64/987591164.db2.gz RRBLKJKRHUGCCF-UHFFFAOYSA-N -1 0 388.405 3.007 20 5 GGBDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001589705348 987818689 /nfs/dbraw/zinc/81/86/89/987818689.db2.gz JBPZDMKOTKQPED-SSDOTTSWSA-N -1 0 379.232 3.038 20 5 GGBDRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001597465542 987905851 /nfs/dbraw/zinc/90/58/51/987905851.db2.gz UPWULZPEYKPPSO-UHFFFAOYSA-N -1 0 381.344 3.362 20 5 GGBDRM 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ZINC001599809407 988306988 /nfs/dbraw/zinc/30/69/88/988306988.db2.gz BOMRSSYSGUFHPS-UHFFFAOYSA-N -1 0 388.401 3.050 20 5 GGBDRM CSc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001599809616 988310440 /nfs/dbraw/zinc/31/04/40/988310440.db2.gz LXBPXRNEDKAVCY-ZDUSSCGKSA-N -1 0 378.381 3.054 20 5 GGBDRM CSc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001599809615 988310481 /nfs/dbraw/zinc/31/04/81/988310481.db2.gz LXBPXRNEDKAVCY-CYBMUJFWSA-N -1 0 378.381 3.054 20 5 GGBDRM CCc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1CC ZINC001597562858 988311738 /nfs/dbraw/zinc/31/17/38/988311738.db2.gz WWNUBOZHOJNCRZ-UHFFFAOYSA-N -1 0 379.390 3.186 20 5 GGBDRM CSc1ccc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)cc1[N+](=O)[O-] ZINC001599809644 988312244 /nfs/dbraw/zinc/31/22/44/988312244.db2.gz OICSLZLSXYJXTF-UHFFFAOYSA-N -1 0 388.401 3.050 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001597563261 988312712 /nfs/dbraw/zinc/31/27/12/988312712.db2.gz DWLRSFGDRKKJHH-DLBZAZTESA-N -1 0 383.404 3.489 20 5 GGBDRM CSc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC001599809874 988315475 /nfs/dbraw/zinc/31/54/75/988315475.db2.gz ZQUCWLGRQJPXRG-NSHDSACASA-N -1 0 390.417 3.271 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001597563469 988315868 /nfs/dbraw/zinc/31/58/68/988315868.db2.gz MTDPBOUXVAEUQY-UHFFFAOYSA-N -1 0 385.781 3.277 20 5 GGBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001597563667 988316754 /nfs/dbraw/zinc/31/67/54/988316754.db2.gz RXNBUPNUJNJWTM-UHFFFAOYSA-N -1 0 378.772 3.226 20 5 GGBDRM CC(C)(C)OC(=O)[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])Cc2ccccc21 ZINC001589866002 988464259 /nfs/dbraw/zinc/46/42/59/988464259.db2.gz JKLLUHYAXQRTLF-OAHLLOKOSA-N -1 0 399.403 3.134 20 5 GGBDRM CSc1ccc(OCCOC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001599820521 988505709 /nfs/dbraw/zinc/50/57/09/988505709.db2.gz ZXFDJJCMEVXYOX-UHFFFAOYSA-N -1 0 377.374 3.251 20 5 GGBDRM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001589872487 988506538 /nfs/dbraw/zinc/50/65/38/988506538.db2.gz STYWZQRISQYSSM-CQSZACIVSA-N -1 0 378.425 3.170 20 5 GGBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001599821160 988515692 /nfs/dbraw/zinc/51/56/92/988515692.db2.gz KZBBGAQDVMXFGT-VIFPVBQESA-N -1 0 393.446 3.101 20 5 GGBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001599821159 988515879 /nfs/dbraw/zinc/51/58/79/988515879.db2.gz KZBBGAQDVMXFGT-SECBINFHSA-N -1 0 393.446 3.101 20 5 GGBDRM CSc1cccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1[N+](=O)[O-] ZINC001599821477 988522030 /nfs/dbraw/zinc/52/20/30/988522030.db2.gz COFQWKZJCNIHEZ-QMMMGPOBSA-N -1 0 393.446 3.215 20 5 GGBDRM CSc1cccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1[N+](=O)[O-] ZINC001599821619 988523970 /nfs/dbraw/zinc/52/39/70/988523970.db2.gz FWAOTDXIQGZCNN-UHFFFAOYSA-N -1 0 387.417 3.217 20 5 GGBDRM CSc1cccc(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001599821872 988528032 /nfs/dbraw/zinc/52/80/32/988528032.db2.gz LABORCVSZSFTMW-UHFFFAOYSA-N -1 0 388.401 3.050 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599822077 988531139 /nfs/dbraw/zinc/53/11/39/988531139.db2.gz DRSJQQYPYCTPTP-HZPDHXFCSA-N -1 0 386.429 3.257 20 5 GGBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001599822075 988531334 /nfs/dbraw/zinc/53/13/34/988531334.db2.gz DPIUAPZIENDGKQ-UHFFFAOYSA-N -1 0 376.390 3.423 20 5 GGBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC001599822966 988546478 /nfs/dbraw/zinc/54/64/78/988546478.db2.gz PQJWSQRECWDEDH-MRXNPFEDSA-N -1 0 399.428 3.224 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001599822960 988546486 /nfs/dbraw/zinc/54/64/86/988546486.db2.gz PMOMVVMJFVPDPI-UHFFFAOYSA-N -1 0 376.390 3.057 20 5 GGBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599823060 988548014 /nfs/dbraw/zinc/54/80/14/988548014.db2.gz VIYCZKQYPWXHCY-OAHLLOKOSA-N -1 0 378.381 3.320 20 5 GGBDRM CCc1cnc(CN(C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC001597627721 988584493 /nfs/dbraw/zinc/58/44/93/988584493.db2.gz QSEUEQIZLNDGNP-UHFFFAOYSA-N -1 0 378.410 3.284 20 5 GGBDRM CCc1cnc(N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3C(=O)[O-])CC2)s1 ZINC001597631352 988596778 /nfs/dbraw/zinc/59/67/78/988596778.db2.gz UNUCUSMUGVRBHI-UHFFFAOYSA-N -1 0 396.856 3.292 20 5 GGBDRM CC(C)(C)OC(=O)N(CCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC001589905962 988618615 /nfs/dbraw/zinc/61/86/15/988618615.db2.gz PLTRGXCXVJRNNB-UHFFFAOYSA-N -1 0 393.396 3.021 20 5 GGBDRM CCc1n[nH]c(=O)c(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1CC ZINC001597641769 988640193 /nfs/dbraw/zinc/64/01/93/988640193.db2.gz HXJYVSHFRIXBML-UHFFFAOYSA-N -1 0 380.788 3.179 20 5 GGBDRM C[C@@H](NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)c1ccc([N+](=O)[O-])cc1 ZINC001599839798 988805391 /nfs/dbraw/zinc/80/53/91/988805391.db2.gz WAIHVOSGTDRWHE-MWLCHTKSSA-N -1 0 390.421 3.124 20 5 GGBDRM C[C@@H](NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)c1ccc([N+](=O)[O-])cc1 ZINC001599839797 988805462 /nfs/dbraw/zinc/80/54/62/988805462.db2.gz WAIHVOSGTDRWHE-KOLCDFICSA-N -1 0 390.421 3.124 20 5 GGBDRM CCc1nc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)sc1C(=O)[O-] ZINC001597685065 988825777 /nfs/dbraw/zinc/82/57/77/988825777.db2.gz IFVGYGVWBKLINY-UHFFFAOYSA-N -1 0 379.394 3.351 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@H](CCOc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001589974579 988827111 /nfs/dbraw/zinc/82/71/11/988827111.db2.gz QLTPQYHBOQYSFG-GFCCVEGCSA-N -1 0 380.397 3.319 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC001589985564 988882696 /nfs/dbraw/zinc/88/26/96/988882696.db2.gz SFZZCJHNTCNQBE-CYBMUJFWSA-N -1 0 392.412 3.032 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C12CCC2 ZINC001589985565 988884799 /nfs/dbraw/zinc/88/47/99/988884799.db2.gz SFZZCJHNTCNQBE-ZDUSSCGKSA-N -1 0 392.412 3.032 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC001589985778 988887130 /nfs/dbraw/zinc/88/71/30/988887130.db2.gz WPNCXOQQTIXNJM-HNNXBMFYSA-N -1 0 393.440 3.171 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1(C)C ZINC001589985879 988887218 /nfs/dbraw/zinc/88/72/18/988887218.db2.gz WPNCXOQQTIXNJM-OAHLLOKOSA-N -1 0 393.440 3.171 20 5 GGBDRM CC(C)(C)OC(=O)N1CC[C@]2(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])CCC[C@H]12 ZINC001590003172 988927104 /nfs/dbraw/zinc/92/71/04/988927104.db2.gz IQUQXUGVBOJXQF-SCLBCKFNSA-N -1 0 392.412 3.032 20 5 GGBDRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001590015171 988984940 /nfs/dbraw/zinc/98/49/40/988984940.db2.gz KEDQBIXUBYPBTM-ZDUSSCGKSA-N -1 0 379.413 3.495 20 5 GGBDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001590018931 989005940 /nfs/dbraw/zinc/00/59/40/989005940.db2.gz QTVWOOVBTUMXFH-LBPRGKRZSA-N -1 0 394.428 3.280 20 5 GGBDRM CCc1nnc(-c2ccc(NCc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)cc2)o1 ZINC001597724105 989016400 /nfs/dbraw/zinc/01/64/00/989016400.db2.gz GAODPEHIDRMUEX-UHFFFAOYSA-N -1 0 398.375 3.283 20 5 GGBDRM CCc1oc(/C=C2\N=C(c3c(Cl)cccc3[N+](=O)[O-])OC2=O)cc1C(=O)[O-] ZINC001597790931 989316294 /nfs/dbraw/zinc/31/62/94/989316294.db2.gz FSRYCQPJNMMJIR-XFFZJAGNSA-N -1 0 390.735 3.446 20 5 GGBDRM C[C@@H]1C[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)O[C@H]1C(=O)[O-] ZINC001599876451 989425451 /nfs/dbraw/zinc/42/54/51/989425451.db2.gz RBURJLZCHDYWBL-SSKCKEOISA-N -1 0 386.360 3.204 20 5 GGBDRM CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597827847 989487559 /nfs/dbraw/zinc/48/75/59/989487559.db2.gz WGPRTHUTEYJVTI-UHFFFAOYSA-N -1 0 381.392 3.208 20 5 GGBDRM CC(C)(C)OC(=O)NC[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001590176531 989508287 /nfs/dbraw/zinc/50/82/87/989508287.db2.gz JTCBLJZQUICCHW-JTQLQIEISA-N -1 0 399.831 3.297 20 5 GGBDRM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590263103 989654685 /nfs/dbraw/zinc/65/46/85/989654685.db2.gz FIFATJJZIANLLJ-WCQYABFASA-N -1 0 380.397 3.365 20 5 GGBDRM CC(C)(C)OC(=O)[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001590340600 989781660 /nfs/dbraw/zinc/78/16/60/989781660.db2.gz VBGZRMXHDCVQNK-LSDHHAIUSA-N -1 0 390.436 3.026 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)cc1[N+](=O)[O-] ZINC001590475790 990050967 /nfs/dbraw/zinc/05/09/67/990050967.db2.gz WYRQLYNKYRYUNO-DMAKZNTKSA-N -1 0 390.436 3.035 20 5 GGBDRM CC(C)(C)c1ccc(C(=O)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1[N+](=O)[O-] ZINC001590481420 990072785 /nfs/dbraw/zinc/07/27/85/990072785.db2.gz AUYBDEHSWYNHHH-UHFFFAOYSA-N -1 0 396.403 3.397 20 5 GGBDRM 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397.387 3.205 20 5 GGBDRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001599654178 994552462 /nfs/dbraw/zinc/55/24/62/994552462.db2.gz SEAWGPCFORHISQ-LJQANCHMSA-N -1 0 390.367 3.171 20 5 GGBDRM COc1cccc([C@@H](OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC001599658133 994613725 /nfs/dbraw/zinc/61/37/25/994613725.db2.gz BSYRPRMKJLOWMB-MGPLVRAMSA-N -1 0 377.324 3.215 20 5 GGBDRM CNc1c(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cccc1[N+](=O)[O-] ZINC001598677418 994869282 /nfs/dbraw/zinc/86/92/82/994869282.db2.gz OUXZHHZUHHPHMC-UHFFFAOYSA-N -1 0 394.387 3.015 20 5 GGBDRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001598677845 994876299 /nfs/dbraw/zinc/87/62/99/994876299.db2.gz AKKKIIYMFPRGLO-GOSISDBHSA-N -1 0 379.372 3.345 20 5 GGBDRM CNc1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC001598678950 994894716 /nfs/dbraw/zinc/89/47/16/994894716.db2.gz WWEARUADSZOYHB-RDTXWAMCSA-N -1 0 397.431 3.330 20 5 GGBDRM 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COC(=O)c1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC001598983143 998676765 /nfs/dbraw/zinc/67/67/65/998676765.db2.gz GGJFNYBYBCJVNF-UHFFFAOYSA-N -1 0 386.360 3.455 20 5 GGBDRM COC(=O)c1ccc(OCCOc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC001598985799 998695365 /nfs/dbraw/zinc/69/53/65/998695365.db2.gz QHNJVHNXIWPMRS-UHFFFAOYSA-N -1 0 395.751 3.191 20 5 GGBDRM COC(=O)c1ccc(OCc2ccc(C(=O)[O-])c3cccnc23)c([N+](=O)[O-])c1 ZINC001598985959 998696393 /nfs/dbraw/zinc/69/63/93/998696393.db2.gz UNORTKGCZLKLPW-UHFFFAOYSA-N -1 0 382.328 3.207 20 5 GGBDRM COC(=O)c1ccc2c(c1)CCC[C@@H]2OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598990763 998734635 /nfs/dbraw/zinc/73/46/35/998734635.db2.gz ZSTIMNFTRNLDJZ-KRWDZBQOSA-N -1 0 399.355 3.314 20 5 GGBDRM C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC001594198867 998770347 /nfs/dbraw/zinc/77/03/47/998770347.db2.gz QPISDOREABHGMM-SNVBAGLBSA-N -1 0 383.360 3.015 20 5 GGBDRM 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CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594299379 999155672 /nfs/dbraw/zinc/15/56/72/999155672.db2.gz YNPWNYLELOSBEL-VNHYZAJKSA-N -1 0 398.481 3.280 20 5 GGBDRM C[C@H]1CCC(F)(F)CN1C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001594306320 999182926 /nfs/dbraw/zinc/18/29/26/999182926.db2.gz DXZROQFTQNIYLU-JTQLQIEISA-N -1 0 388.392 3.421 20 5 GGBDRM C[C@H]1CC[C@@](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594312549 999199978 /nfs/dbraw/zinc/19/99/78/999199978.db2.gz BVCMSVINJBYHAJ-QKKBWIMNSA-N -1 0 397.431 3.025 20 5 GGBDRM C[C@@H]1CC[C@@](NC(=O)CCOc2ccccc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594315042 999219777 /nfs/dbraw/zinc/21/97/77/999219777.db2.gz UYHREHUGKXGMSH-SZNDQCEHSA-N -1 0 398.415 3.357 20 5 GGBDRM CC1CCC2(CC1)OC[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])O2 ZINC001594334675 999284694 /nfs/dbraw/zinc/28/46/94/999284694.db2.gz TWDOFDRXHQUIHM-ASGYLVDXSA-N -1 0 376.409 3.426 20 5 GGBDRM 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380.769 3.099 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000171262928 565422559 /nfs/dbraw/zinc/42/25/59/565422559.db2.gz QSAFDDQIONLXLB-UHFFFAOYSA-N -1 0 399.222 3.093 20 5 GGBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000171807331 565451596 /nfs/dbraw/zinc/45/15/96/565451596.db2.gz GJAJNWBKKQBXFW-UHFFFAOYSA-N -1 0 375.328 3.370 20 5 GGBDRM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C ZINC000276642651 565455833 /nfs/dbraw/zinc/45/58/33/565455833.db2.gz PQWJIWRJEVYSPI-UHFFFAOYSA-N -1 0 384.435 3.169 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000318036161 565595244 /nfs/dbraw/zinc/59/52/44/565595244.db2.gz MPTZFLDAOMJNLG-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM CC(=C([O-])c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000321902540 565606855 /nfs/dbraw/zinc/60/68/55/565606855.db2.gz XKAQOJRTPMGDAE-SNVBAGLBSA-N -1 0 398.234 3.402 20 5 GGBDRM CC(=C([O-])c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 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398.350 3.041 20 5 GGBDRM CCc1[nH]c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000737241826 601029400 /nfs/dbraw/zinc/02/94/00/601029400.db2.gz ORVJXGLJXJXOFM-QGZVFWFLSA-N -1 0 389.433 3.380 20 5 GGBDRM O=C([O-])c1ccc(CCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000740122505 601029777 /nfs/dbraw/zinc/02/97/77/601029777.db2.gz QDQBWPVPZBPLNQ-SFHVURJKSA-N -1 0 386.429 3.500 20 5 GGBDRM CN1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2cc(Cl)ccc21 ZINC000737516662 601030244 /nfs/dbraw/zinc/03/02/44/601030244.db2.gz CGQJUMNSPXPCDS-UHFFFAOYSA-N -1 0 389.795 3.433 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736712897 601036070 /nfs/dbraw/zinc/03/60/70/601036070.db2.gz RCUXRJFPWRPZHY-SECBINFHSA-N -1 0 393.446 3.426 20 5 GGBDRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000737108963 601048613 /nfs/dbraw/zinc/04/86/13/601048613.db2.gz SNYBOAURUQYYEM-UHFFFAOYSA-N -1 0 378.406 3.125 20 5 GGBDRM O=C([O-])[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1F ZINC000833350991 601057655 /nfs/dbraw/zinc/05/76/55/601057655.db2.gz HRSPEKZUMIODJL-CYBMUJFWSA-N -1 0 398.140 3.479 20 5 GGBDRM CCc1ccc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000830232162 601057834 /nfs/dbraw/zinc/05/78/34/601057834.db2.gz CCNWIVBPDQNAPV-AWEZNQCLSA-N -1 0 397.431 3.206 20 5 GGBDRM O=C([O-])c1cc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc([N+](=O)[O-])c1 ZINC000740088654 601063547 /nfs/dbraw/zinc/06/35/47/601063547.db2.gz MVSYAVOIIQPOJN-UHFFFAOYSA-N -1 0 386.360 3.103 20 5 GGBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000827843409 601063711 /nfs/dbraw/zinc/06/37/11/601063711.db2.gz HLVDBPSFGUMTHC-LLVKDONJSA-N -1 0 397.343 3.185 20 5 GGBDRM COc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC(F)F ZINC000486297568 601066580 /nfs/dbraw/zinc/06/65/80/601066580.db2.gz VZVUNPRRBOJNHB-UHFFFAOYSA-N -1 0 396.302 3.464 20 5 GGBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833010000 601076004 /nfs/dbraw/zinc/07/60/04/601076004.db2.gz VPLTVXBXFRWSAL-UHFFFAOYSA-N -1 0 399.384 3.477 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000736702958 601077222 /nfs/dbraw/zinc/07/72/22/601077222.db2.gz IAXFULFIQZQJLB-BXUZGUMPSA-N -1 0 392.795 3.000 20 5 GGBDRM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833054611 601077929 /nfs/dbraw/zinc/07/79/29/601077929.db2.gz LUMOSCHCJPTPBA-UHFFFAOYSA-N -1 0 387.373 3.112 20 5 GGBDRM CCOc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830059546 601081319 /nfs/dbraw/zinc/08/13/19/601081319.db2.gz DLVIZTRVPSGJMX-WBVHZDCISA-N -1 0 390.436 3.489 20 5 GGBDRM COc1ccc(CC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598661282 601081753 /nfs/dbraw/zinc/08/17/53/601081753.db2.gz IGPBPRCSLMSFON-NVXWUHKLSA-N -1 0 390.436 3.028 20 5 GGBDRM COc1cc(C(=O)[O-])cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1OC ZINC000831897611 601082773 /nfs/dbraw/zinc/08/27/73/601082773.db2.gz TXLHSHOPHDLTNR-SNVBAGLBSA-N -1 0 389.364 3.193 20 5 GGBDRM CNc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598660590 601089034 /nfs/dbraw/zinc/08/90/34/601089034.db2.gz BSPOAPITWOVRQT-WMLDXEAASA-N -1 0 375.425 3.132 20 5 GGBDRM COc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598661940 601092785 /nfs/dbraw/zinc/09/27/85/601092785.db2.gz PFGQDRVVYGRGCQ-GOEBONIOSA-N -1 0 376.409 3.099 20 5 GGBDRM CCO[C@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCCCC2 ZINC000531748334 601093983 /nfs/dbraw/zinc/09/39/83/601093983.db2.gz GISXQNIEAFWDGP-HOTGVXAUSA-N -1 0 376.409 3.151 20 5 GGBDRM CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000737059279 601112944 /nfs/dbraw/zinc/11/29/44/601112944.db2.gz LNLOTHDDKKJOHP-UHFFFAOYSA-N -1 0 390.421 3.016 20 5 GGBDRM O=C([O-])c1ccc(OCCOC(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000833322614 601115739 /nfs/dbraw/zinc/11/57/39/601115739.db2.gz PLUXGTNCBMMCKU-UHFFFAOYSA-N -1 0 383.715 3.321 20 5 GGBDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000831918158 601146513 /nfs/dbraw/zinc/14/65/13/601146513.db2.gz MRQLTLSLJRIPMP-UHFFFAOYSA-N -1 0 396.149 3.283 20 5 GGBDRM CC[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000485734386 601148109 /nfs/dbraw/zinc/14/81/09/601148109.db2.gz VOHRWIZLSUPJOO-CQSZACIVSA-N -1 0 376.340 3.020 20 5 GGBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000833189588 601159334 /nfs/dbraw/zinc/15/93/34/601159334.db2.gz TVKRSBMTVQRKTP-UWVGGRQHSA-N -1 0 386.198 3.292 20 5 GGBDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190859163 601165334 /nfs/dbraw/zinc/16/53/34/601165334.db2.gz DTDXSGWPJCIGMZ-GTNSWQLSSA-N -1 0 376.796 3.369 20 5 GGBDRM Cc1c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832849781 601166998 /nfs/dbraw/zinc/16/69/98/601166998.db2.gz RVEMNBAGHADJII-BDJLRTHQSA-N -1 0 387.348 3.003 20 5 GGBDRM Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832849787 601167027 /nfs/dbraw/zinc/16/70/27/601167027.db2.gz RVEMNBAGHADJII-MEDUHNTESA-N -1 0 387.348 3.003 20 5 GGBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832855807 601170446 /nfs/dbraw/zinc/17/04/46/601170446.db2.gz DUXAQWSAEWWGAK-BDJLRTHQSA-N -1 0 387.348 3.003 20 5 GGBDRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000827826066 601179242 /nfs/dbraw/zinc/17/92/42/601179242.db2.gz KAQYHUMHJGAACH-DCAQKATOSA-N -1 0 398.799 3.009 20 5 GGBDRM O=C([O-])c1cc(C(=O)OCc2ncc(-c3cccc(F)c3)o2)cc([N+](=O)[O-])c1 ZINC000833298532 601188419 /nfs/dbraw/zinc/18/84/19/601188419.db2.gz YLKHYWNNYORVLG-UHFFFAOYSA-N -1 0 386.291 3.444 20 5 GGBDRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827826748 601188888 /nfs/dbraw/zinc/18/88/88/601188888.db2.gz ONCFVZPSIUXQAS-DRZSPHRISA-N -1 0 389.364 3.140 20 5 GGBDRM O=C([O-])[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000833351678 601195500 /nfs/dbraw/zinc/19/55/00/601195500.db2.gz TURVTIWLEHPUBC-CYBMUJFWSA-N -1 0 398.140 3.479 20 5 GGBDRM O=C([O-])[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000833351682 601195553 /nfs/dbraw/zinc/19/55/53/601195553.db2.gz TURVTIWLEHPUBC-ZDUSSCGKSA-N -1 0 398.140 3.479 20 5 GGBDRM O=C([O-])c1ccsc1N1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1=O ZINC000833340352 601201301 /nfs/dbraw/zinc/20/13/01/601201301.db2.gz IHXGLGRWDASRJS-AWEZNQCLSA-N -1 0 398.400 3.120 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N[C@@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703882 601201638 /nfs/dbraw/zinc/20/16/38/601201638.db2.gz SVVADMDCWHMGSU-RDBSUJKOSA-N -1 0 385.420 3.402 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703567 601208964 /nfs/dbraw/zinc/20/89/64/601208964.db2.gz OVGKMQRKIYDCCR-CZUORRHYSA-N -1 0 389.452 3.347 20 5 GGBDRM COc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1C(=O)[O-] ZINC000832358390 601224534 /nfs/dbraw/zinc/22/45/34/601224534.db2.gz XCNMSLURNZPNRV-UHFFFAOYSA-N -1 0 382.170 3.071 20 5 GGBDRM O=C([O-])CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)cc1 ZINC000833238714 601225685 /nfs/dbraw/zinc/22/56/85/601225685.db2.gz HYXQRNFWHKBDTM-UHFFFAOYSA-N -1 0 382.170 3.349 20 5 GGBDRM CCc1ccc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000830260195 601245500 /nfs/dbraw/zinc/24/55/00/601245500.db2.gz WPXGNXYITWEKIU-UXBLZVDNSA-N -1 0 377.374 3.023 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704571 601248184 /nfs/dbraw/zinc/24/81/84/601248184.db2.gz YMYSOUQGASBOHR-BXUZGUMPSA-N -1 0 389.433 3.201 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N(C)[C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827694881 601249282 /nfs/dbraw/zinc/24/92/82/601249282.db2.gz KJHAWXRYFPNZAH-NEPJUHHUSA-N -1 0 389.383 3.134 20 5 GGBDRM Cc1ccc([C@H](C)N(C)c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000832922095 601249605 /nfs/dbraw/zinc/24/96/05/601249605.db2.gz UNMVODBZGXOFRY-KGLIPLIRSA-N -1 0 385.420 3.304 20 5 GGBDRM Cc1ccccc1[C@H]1CCCN1c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000832977112 601250393 /nfs/dbraw/zinc/25/03/93/601250393.db2.gz DMOGZDMSCALYGW-MRXNPFEDSA-N -1 0 383.404 3.059 20 5 GGBDRM Cc1ccccc1[C@H](C)N(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977205 601250415 /nfs/dbraw/zinc/25/04/15/601250415.db2.gz PQWBRRVNXNPGJP-KGLIPLIRSA-N -1 0 385.420 3.304 20 5 GGBDRM Cc1cccc([C@@H]2CCCN2c2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832967521 601250444 /nfs/dbraw/zinc/25/04/44/601250444.db2.gz GRHNSZJHBWVCIL-PBHICJAKSA-N -1 0 397.431 3.448 20 5 GGBDRM Cc1cccc([C@@H]2CCCN2c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832967524 601250505 /nfs/dbraw/zinc/25/05/05/601250505.db2.gz GRHNSZJHBWVCIL-YOEHRIQHSA-N -1 0 397.431 3.448 20 5 GGBDRM Cc1ccccc1[C@@H]1CCCN1c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977499 601250524 /nfs/dbraw/zinc/25/05/24/601250524.db2.gz LOULGYRBVGVMHB-YOEHRIQHSA-N -1 0 397.431 3.448 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(c2ccc(O)cc2)CC1 ZINC000833306614 601251705 /nfs/dbraw/zinc/25/17/05/601251705.db2.gz DNHMIQMMHYJCAK-UHFFFAOYSA-N -1 0 387.348 3.291 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703910 601255429 /nfs/dbraw/zinc/25/54/29/601255429.db2.gz UKOWIQBZLOWUMF-JJRVBVJISA-N -1 0 397.431 3.180 20 5 GGBDRM O=C([O-])c1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 ZINC000833324163 601257584 /nfs/dbraw/zinc/25/75/84/601257584.db2.gz JFMPAKSAQYQVSQ-UHFFFAOYSA-N -1 0 392.172 3.368 20 5 GGBDRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000826127200 601265787 /nfs/dbraw/zinc/26/57/87/601265787.db2.gz PUQLNBAVJBSCDM-QGZVFWFLSA-N -1 0 383.404 3.174 20 5 GGBDRM O=C([O-])c1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc([N+](=O)[O-])c1 ZINC000833299737 601268884 /nfs/dbraw/zinc/26/88/84/601268884.db2.gz HEDUUWVNUJUOOI-UHFFFAOYSA-N -1 0 394.343 3.473 20 5 GGBDRM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1cccc([N+](=O)[O-])c1 ZINC000828994108 601269834 /nfs/dbraw/zinc/26/98/34/601269834.db2.gz BNOOBYNTVSOLQH-OAHLLOKOSA-N -1 0 378.406 3.031 20 5 GGBDRM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000828994374 601269861 /nfs/dbraw/zinc/26/98/61/601269861.db2.gz WZPOQCMCJTYYJD-CQSZACIVSA-N -1 0 398.824 3.376 20 5 GGBDRM Nc1c(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cccc1[N+](=O)[O-] ZINC000833090514 601282298 /nfs/dbraw/zinc/28/22/98/601282298.db2.gz MYWFAOMOHVZOQL-UHFFFAOYSA-N -1 0 398.400 3.175 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000830094468 601305670 /nfs/dbraw/zinc/30/56/70/601305670.db2.gz GFRQZDWOXPMMTQ-UHFFFAOYSA-N -1 0 380.347 3.359 20 5 GGBDRM O=C([O-])CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Cl)cc1 ZINC000833249494 601313000 /nfs/dbraw/zinc/31/30/00/601313000.db2.gz RVDOYGFFECRBMI-UHFFFAOYSA-N -1 0 375.768 3.476 20 5 GGBDRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC3 ZINC000833325643 601316455 /nfs/dbraw/zinc/31/64/55/601316455.db2.gz UBCUSSORVCNIIY-UHFFFAOYSA-N -1 0 392.371 3.474 20 5 GGBDRM CN(Cc1nc2c(s1)CCCC2)c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830874683 601335367 /nfs/dbraw/zinc/33/53/67/601335367.db2.gz IMSYDIROWFQAPO-UHFFFAOYSA-N -1 0 392.393 3.173 20 5 GGBDRM O=C([O-])/C=C/c1ccc(NCCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000833196997 601350940 /nfs/dbraw/zinc/35/09/40/601350940.db2.gz GYROILHGMSVOFG-VQHVLOKHSA-N -1 0 380.360 3.397 20 5 GGBDRM O=C([O-])c1ccc(COC(=O)c2cc([N+](=O)[O-])c(Br)cc2F)o1 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O=C([O-])c1csc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC000833344193 601804450 /nfs/dbraw/zinc/80/44/50/601804450.db2.gz FWCWVZGBUKANAJ-UHFFFAOYSA-N -1 0 379.371 3.275 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000596000840 601818804 /nfs/dbraw/zinc/81/88/04/601818804.db2.gz NIXZNFIKLLRRCU-LLVKDONJSA-N -1 0 384.816 3.119 20 5 GGBDRM O=C([O-])CCC1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000568584023 601821802 /nfs/dbraw/zinc/82/18/02/601821802.db2.gz SRLNMJVIJVHERQ-UHFFFAOYSA-N -1 0 392.455 3.258 20 5 GGBDRM O=C([O-])c1cc(C(=O)N2CC(c3nc4ccccc4s3)C2)cc([N+](=O)[O-])c1 ZINC000833295860 601821937 /nfs/dbraw/zinc/82/19/37/601821937.db2.gz HKXWECYUJKDISJ-UHFFFAOYSA-N -1 0 383.385 3.142 20 5 GGBDRM O=C([O-])c1cc(F)c(F)cc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000833299114 601831532 /nfs/dbraw/zinc/83/15/32/601831532.db2.gz LWLYWOMANJGTQW-UHFFFAOYSA-N -1 0 376.275 3.233 20 5 GGBDRM O=C([O-])c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl ZINC000833306501 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GGBDRM CCNC(=O)c1ccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000829799596 602251539 /nfs/dbraw/zinc/25/15/39/602251539.db2.gz NMUWKYPYLLRRLL-UHFFFAOYSA-N -1 0 377.784 3.308 20 5 GGBDRM CCCCNC(=O)C1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829394998 602251685 /nfs/dbraw/zinc/25/16/85/602251685.db2.gz DAFUWQUGIHLLEQ-UHFFFAOYSA-N -1 0 383.832 3.079 20 5 GGBDRM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829217094 602253036 /nfs/dbraw/zinc/25/30/36/602253036.db2.gz YYAZRVUMLWXPDS-RYUDHWBXSA-N -1 0 397.859 3.468 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000833306551 602253564 /nfs/dbraw/zinc/25/35/64/602253564.db2.gz BMZPNABBXJQGRJ-UHFFFAOYSA-N -1 0 381.738 3.385 20 5 GGBDRM O=C([O-])COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000486063149 602259313 /nfs/dbraw/zinc/25/93/13/602259313.db2.gz IGXJOWPOEQVCMH-UHFFFAOYSA-N -1 0 396.355 3.229 20 5 GGBDRM O=C([O-])COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc12 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/nfs/dbraw/zinc/10/34/51/1431103451.db2.gz LZYTZPQMROGDMI-CYBMUJFWSA-N -1 0 382.376 3.146 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c2ncccc12 ZINC000185619567 1431186106 /nfs/dbraw/zinc/18/61/06/1431186106.db2.gz AOQFNMMCORZHFQ-UHFFFAOYSA-N -1 0 395.400 3.130 20 5 GGBDRM CCCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n[nH]1 ZINC000185629619 1431188522 /nfs/dbraw/zinc/18/85/22/1431188522.db2.gz LZHBNHSENCLTNL-UHFFFAOYSA-N -1 0 375.410 3.010 20 5 GGBDRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n[nH]1 ZINC000185630280 1431189030 /nfs/dbraw/zinc/18/90/30/1431189030.db2.gz QCFPICFGJBXSAB-UHFFFAOYSA-N -1 0 389.437 3.256 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)c2ncccc12 ZINC000185638259 1431191389 /nfs/dbraw/zinc/19/13/89/1431191389.db2.gz WGLBRWBEDQDAKD-UHFFFAOYSA-N -1 0 380.385 3.492 20 5 GGBDRM Cc1nc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccc(Cl)cc2)no1 ZINC000185950605 1431293154 /nfs/dbraw/zinc/29/31/54/1431293154.db2.gz SDSGPHILXNEZQO-HNNXBMFYSA-N -1 0 388.767 3.165 20 5 GGBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000186314434 1431379949 /nfs/dbraw/zinc/37/99/49/1431379949.db2.gz IYDHTTMDHNRIFK-INIZCTEOSA-N -1 0 380.759 3.307 20 5 GGBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000186328330 1431383751 /nfs/dbraw/zinc/38/37/51/1431383751.db2.gz MKBWUAUTIPUSMM-OAHLLOKOSA-N -1 0 380.759 3.307 20 5 GGBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000186677291 1431489372 /nfs/dbraw/zinc/48/93/72/1431489372.db2.gz LJUMZLXWXGJVQE-CABCVRRESA-N -1 0 397.214 3.338 20 5 GGBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000186677255 1431489741 /nfs/dbraw/zinc/48/97/41/1431489741.db2.gz LJUMZLXWXGJVQE-GJZGRUSLSA-N -1 0 397.214 3.338 20 5 GGBDRM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cccc([N+](=O)[O-])c1[O-] ZINC000186737968 1431505753 /nfs/dbraw/zinc/50/57/53/1431505753.db2.gz XVOWFHQEIVHZLH-UHFFFAOYSA-N -1 0 381.310 3.431 20 5 GGBDRM O=C(Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187151369 1431631760 /nfs/dbraw/zinc/63/17/60/1431631760.db2.gz ZRAQVMLPHMHOKQ-UHFFFAOYSA-N -1 0 381.388 3.242 20 5 GGBDRM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1nnn[n-]1 ZINC000187270183 1431675339 /nfs/dbraw/zinc/67/53/39/1431675339.db2.gz FRHLMRZYKKOYFP-LBPRGKRZSA-N -1 0 398.448 3.135 20 5 GGBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1[N+](=O)[O-] ZINC000187414739 1431723430 /nfs/dbraw/zinc/72/34/30/1431723430.db2.gz UZMHXIJLOKCXME-UHFFFAOYSA-N -1 0 391.380 3.400 20 5 GGBDRM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000189066468 1432038131 /nfs/dbraw/zinc/03/81/31/1432038131.db2.gz RLEHAJGPGPYSLV-UHFFFAOYSA-N -1 0 384.310 3.470 20 5 GGBDRM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000189070697 1432039017 /nfs/dbraw/zinc/03/90/17/1432039017.db2.gz RVQJNBJFLGJPMD-UHFFFAOYSA-N -1 0 384.310 3.470 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC000189260711 1432073469 /nfs/dbraw/zinc/07/34/69/1432073469.db2.gz FFYSKQVCXBYVGV-UHFFFAOYSA-N -1 0 386.433 3.257 20 5 GGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000189264018 1432074081 /nfs/dbraw/zinc/07/40/81/1432074081.db2.gz YQQIGXXYFJXYIR-UHFFFAOYSA-N -1 0 386.433 3.257 20 5 GGBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1Cl ZINC000189264831 1432074330 /nfs/dbraw/zinc/07/43/30/1432074330.db2.gz BBLYSOLYXAOCGF-UHFFFAOYSA-N -1 0 397.840 3.025 20 5 GGBDRM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C(=O)N(C)C ZINC000189307024 1432082720 /nfs/dbraw/zinc/08/27/20/1432082720.db2.gz JQTLWWRNAHSWBF-UHFFFAOYSA-N -1 0 391.449 3.023 20 5 GGBDRM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc([N+](=O)[O-])c([O-])c4)n3)cn2)n1 ZINC000189934841 1432280030 /nfs/dbraw/zinc/28/00/30/1432280030.db2.gz GZVBVWBUKLDXQW-UHFFFAOYSA-N -1 0 378.348 3.215 20 5 GGBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1Cc1ccc(F)cc1 ZINC000190398958 1432373913 /nfs/dbraw/zinc/37/39/13/1432373913.db2.gz ASMUHIGLMUIWNU-UHFFFAOYSA-N -1 0 390.396 3.088 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000190400123 1432374046 /nfs/dbraw/zinc/37/40/46/1432374046.db2.gz REFKFLJRWYPQJY-UHFFFAOYSA-N -1 0 390.396 3.088 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1Cc1ccc(F)cc1 ZINC000190400568 1432374187 /nfs/dbraw/zinc/37/41/87/1432374187.db2.gz JWDXDVDWBXYHLJ-UHFFFAOYSA-N -1 0 390.396 3.088 20 5 GGBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000190429053 1432380165 /nfs/dbraw/zinc/38/01/65/1432380165.db2.gz QVMZLGFYWHTQNJ-CVEARBPZSA-N -1 0 397.214 3.338 20 5 GGBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190429004 1432380346 /nfs/dbraw/zinc/38/03/46/1432380346.db2.gz QVMZLGFYWHTQNJ-JKSUJKDBSA-N -1 0 397.214 3.338 20 5 GGBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000190435807 1432381689 /nfs/dbraw/zinc/38/16/89/1432381689.db2.gz CZOFGSSGKRZVIE-CVEARBPZSA-N -1 0 397.214 3.338 20 5 GGBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000190450217 1432384345 /nfs/dbraw/zinc/38/43/45/1432384345.db2.gz KZEXOZIHXBDRIA-CVEARBPZSA-N -1 0 397.214 3.338 20 5 GGBDRM Cc1oc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1C(=O)[O-] ZINC000190923048 1432530278 /nfs/dbraw/zinc/53/02/78/1432530278.db2.gz BOPQTVJLSQPCAK-UHFFFAOYSA-N -1 0 390.395 3.071 20 5 GGBDRM C[C@H](Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1)C(=O)[O-] ZINC000191388079 1432648516 /nfs/dbraw/zinc/64/85/16/1432648516.db2.gz VFQNLZRGBHIDFP-CYBMUJFWSA-N -1 0 394.387 3.296 20 5 GGBDRM Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000191756507 1432719307 /nfs/dbraw/zinc/71/93/07/1432719307.db2.gz BRFKEWHHKPMJBX-UHFFFAOYSA-N -1 0 390.421 3.159 20 5 GGBDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191795908 1432726945 /nfs/dbraw/zinc/72/69/45/1432726945.db2.gz ZONGHWNCGNSNTK-UHFFFAOYSA-N -1 0 377.422 3.279 20 5 GGBDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000191845435 1432738871 /nfs/dbraw/zinc/73/88/71/1432738871.db2.gz YGCGRNGDWSESJA-UHFFFAOYSA-N -1 0 376.438 3.242 20 5 GGBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192589381 1432863393 /nfs/dbraw/zinc/86/33/93/1432863393.db2.gz GIPXDBUKIPUBHC-UHFFFAOYSA-N -1 0 376.796 3.078 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000192713534 1432878940 /nfs/dbraw/zinc/87/89/40/1432878940.db2.gz JGMFGZJRISLLLW-UHFFFAOYSA-N -1 0 398.444 3.239 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000192729745 1432881389 /nfs/dbraw/zinc/88/13/89/1432881389.db2.gz XZXKKVADLIFUPS-UHFFFAOYSA-N -1 0 391.283 3.323 20 5 GGBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c1 ZINC000192812512 1432893905 /nfs/dbraw/zinc/89/39/05/1432893905.db2.gz BSCNAJXHMZUWTD-UHFFFAOYSA-N -1 0 394.302 3.476 20 5 GGBDRM O=C([O-])CC[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccccc1 ZINC000193462294 1433003577 /nfs/dbraw/zinc/00/35/77/1433003577.db2.gz VXTXGZXDYKQGNN-OAHLLOKOSA-N -1 0 394.387 3.116 20 5 GGBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000193789864 1433059845 /nfs/dbraw/zinc/05/98/45/1433059845.db2.gz SXVXLFWATUSUBG-UHFFFAOYSA-N -1 0 386.795 3.412 20 5 GGBDRM C[C@]12CC3CC(C(=O)[N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)(C1)C[C@@](C)(C3)C2 ZINC000193957074 1433091953 /nfs/dbraw/zinc/09/19/53/1433091953.db2.gz AFGXOZPHLBOMSL-DFDFAMMDSA-N -1 0 392.477 3.396 20 5 GGBDRM C[C@]12CC3CC(C(=O)[N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000193959959 1433092632 /nfs/dbraw/zinc/09/26/32/1433092632.db2.gz BLPIUDXFLHDOQK-DFDFAMMDSA-N -1 0 392.477 3.396 20 5 GGBDRM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000194026731 1433103633 /nfs/dbraw/zinc/10/36/33/1433103633.db2.gz AOHFMCYTYXUFRY-UHFFFAOYSA-N -1 0 397.840 3.189 20 5 GGBDRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000194162006 1433128959 /nfs/dbraw/zinc/12/89/59/1433128959.db2.gz SWYFCMXNHUDPOR-UHFFFAOYSA-N -1 0 384.779 3.342 20 5 GGBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000194644897 1433210529 /nfs/dbraw/zinc/21/05/29/1433210529.db2.gz DAIKWLZEAFEQAG-UHFFFAOYSA-N -1 0 386.389 3.323 20 5 GGBDRM O=C1OC(c2ccc(Br)s2)=N/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194665238 1433212834 /nfs/dbraw/zinc/21/28/34/1433212834.db2.gz SMAQXWNOHHGXLS-VMPITWQZSA-N -1 0 395.190 3.469 20 5 GGBDRM CCc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000194668876 1433213305 /nfs/dbraw/zinc/21/33/05/1433213305.db2.gz WJKFVSKFGQQKAU-UHFFFAOYSA-N -1 0 386.433 3.452 20 5 GGBDRM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2)n1 ZINC000194722771 1433219902 /nfs/dbraw/zinc/21/99/02/1433219902.db2.gz CUPSUYJQNCNECW-UHFFFAOYSA-N -1 0 388.380 3.300 20 5 GGBDRM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194721800 1433219945 /nfs/dbraw/zinc/21/99/45/1433219945.db2.gz XFPFDVXMGRJQOR-UHFFFAOYSA-N -1 0 379.413 3.443 20 5 GGBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccnn1Cc1ccc(F)cc1 ZINC000194765619 1433227172 /nfs/dbraw/zinc/22/71/72/1433227172.db2.gz JFZJGMQUAHRUBH-UHFFFAOYSA-N -1 0 390.396 3.088 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(-c3ccccc3C)o2)c1C ZINC000194775663 1433229430 /nfs/dbraw/zinc/22/94/30/1433229430.db2.gz LKEKSCSXDVFABF-UHFFFAOYSA-N -1 0 388.405 3.371 20 5 GGBDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)o2)c(C)c1 ZINC000194835449 1433244831 /nfs/dbraw/zinc/24/48/31/1433244831.db2.gz XUGKVPNFFGUREP-UHFFFAOYSA-N -1 0 388.405 3.371 20 5 GGBDRM O=C1C(=Cc2ccc([N+](=O)[O-])c([O-])c2)NC(=S)N1Cc1ccccc1Cl ZINC000194849188 1433247889 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385.420 3.438 20 5 GGBDRM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262971143 1433971975 /nfs/dbraw/zinc/97/19/75/1433971975.db2.gz OQZKJZOTEGEKCY-UHFFFAOYSA-N -1 0 387.367 3.035 20 5 GGBDRM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000262989865 1433973958 /nfs/dbraw/zinc/97/39/58/1433973958.db2.gz QFTPOXMFMSRYGY-LBPRGKRZSA-N -1 0 399.403 3.173 20 5 GGBDRM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000262989863 1433974173 /nfs/dbraw/zinc/97/41/73/1433974173.db2.gz QFTPOXMFMSRYGY-GFCCVEGCSA-N -1 0 399.403 3.173 20 5 GGBDRM CC(C)c1ccc(C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)cc1[N+](=O)[O-] ZINC000263096288 1433985165 /nfs/dbraw/zinc/98/51/65/1433985165.db2.gz FCRALYQTOOOUMR-UHFFFAOYSA-N -1 0 386.408 3.090 20 5 GGBDRM C[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C(=O)[O-])C1 ZINC000263109502 1433986355 /nfs/dbraw/zinc/98/63/55/1433986355.db2.gz UPLATPLLSVDSKF-HZMBPMFUSA-N -1 0 375.406 3.044 20 5 GGBDRM 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CCC[C@@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C(=O)[O-] ZINC000263561468 1434013130 /nfs/dbraw/zinc/01/31/30/1434013130.db2.gz CBKYZRLGVCRDNV-SJLPKXTDSA-N -1 0 385.420 3.426 20 5 GGBDRM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]N2CCCCC2=O)cc1 ZINC000263782196 1434033257 /nfs/dbraw/zinc/03/32/57/1434033257.db2.gz OBYIIRRNIPSFFM-UHFFFAOYSA-N -1 0 385.376 3.053 20 5 GGBDRM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(OC)c([O-])c([N+](=O)[O-])c1)N2 ZINC000264443175 1434113472 /nfs/dbraw/zinc/11/34/72/1434113472.db2.gz RAVHRNQLOCBREK-GOSISDBHSA-N -1 0 385.376 3.047 20 5 GGBDRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000268267351 1434506567 /nfs/dbraw/zinc/50/65/67/1434506567.db2.gz AZLDXWYZSVULBD-TZMCWYRMSA-N -1 0 393.440 3.066 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000268363998 1434515727 /nfs/dbraw/zinc/51/57/27/1434515727.db2.gz XNTFNTQSXGETQF-LLVKDONJSA-N -1 0 398.824 3.217 20 5 GGBDRM 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COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000277362888 1435298627 /nfs/dbraw/zinc/29/86/27/1435298627.db2.gz YNDPXQFKBXWNBZ-UHFFFAOYSA-N -1 0 395.393 3.067 20 5 GGBDRM Cc1[nH]nc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277579913 1435314090 /nfs/dbraw/zinc/31/40/90/1435314090.db2.gz OLOJKKZHWDNVNR-LBPRGKRZSA-N -1 0 384.421 3.198 20 5 GGBDRM CCc1[nH]nc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1[N+](=O)[O-] ZINC000277894418 1435340179 /nfs/dbraw/zinc/34/01/79/1435340179.db2.gz FNZPWQBDNZEIPF-LBPRGKRZSA-N -1 0 398.448 3.452 20 5 GGBDRM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000281732610 1435819904 /nfs/dbraw/zinc/81/99/04/1435819904.db2.gz HXBDQFSWEISURW-ZDUSSCGKSA-N -1 0 393.440 3.067 20 5 GGBDRM COc1cccc([C@@H]2C[C@H](C)CN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826215551 1441456884 /nfs/dbraw/zinc/45/68/84/1441456884.db2.gz RYUKVOJAJZEOLX-SGTLLEGYSA-N -1 0 380.408 3.371 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Cl)cc1Br ZINC000823630099 1441469784 /nfs/dbraw/zinc/46/97/84/1441469784.db2.gz RJUQIWOYIIMHPT-UHFFFAOYSA-N -1 0 397.576 3.378 20 5 GGBDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822936449 1441473286 /nfs/dbraw/zinc/47/32/86/1441473286.db2.gz UWXMYJIUPTZPKP-YVMONPNESA-N -1 0 385.767 3.185 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826293695 1441508503 /nfs/dbraw/zinc/50/85/03/1441508503.db2.gz YPNKPQYDOQYGBW-VIFPVBQESA-N -1 0 389.318 3.280 20 5 GGBDRM Cc1ccc([C@@H](C)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822230545 1441522314 /nfs/dbraw/zinc/52/23/14/1441522314.db2.gz JRROXQSGWBRWKJ-SECBINFHSA-N -1 0 389.318 3.280 20 5 GGBDRM O=[N+]([O-])c1ccccc1OCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000738370595 1441549777 /nfs/dbraw/zinc/54/97/77/1441549777.db2.gz WINYKZNOWRXHNA-UHFFFAOYSA-N -1 0 375.385 3.226 20 5 GGBDRM C[C@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824707692 1441726873 /nfs/dbraw/zinc/72/68/73/1441726873.db2.gz TYNKPHRLVPTDDQ-JTQLQIEISA-N -1 0 389.318 3.171 20 5 GGBDRM O=[N+]([O-])c1ccc(Nc2ccc(N3CCSCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823645201 1441731980 /nfs/dbraw/zinc/73/19/80/1441731980.db2.gz PIPGUSULNRDFGQ-UHFFFAOYSA-N -1 0 383.437 3.072 20 5 GGBDRM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000826459538 1441736480 /nfs/dbraw/zinc/73/64/80/1441736480.db2.gz OAQWESHXWKHBHX-UHFFFAOYSA-N -1 0 399.417 3.212 20 5 GGBDRM COc1ccc(-c2nnn[n-]2)cc1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826187016 1441752962 /nfs/dbraw/zinc/75/29/62/1441752962.db2.gz VQSLRVWWTOYOQX-UHFFFAOYSA-N -1 0 393.363 3.051 20 5 GGBDRM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000735830491 1441770142 /nfs/dbraw/zinc/77/01/42/1441770142.db2.gz GYQGHNUWLQWJHE-UHFFFAOYSA-N -1 0 387.831 3.486 20 5 GGBDRM Cc1ccc([C@H](C)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822230546 1441784397 /nfs/dbraw/zinc/78/43/97/1441784397.db2.gz JRROXQSGWBRWKJ-VIFPVBQESA-N -1 0 389.318 3.280 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822271202 1441805644 /nfs/dbraw/zinc/80/56/44/1441805644.db2.gz QGZAWWNHEPLYRL-UHFFFAOYSA-N -1 0 398.448 3.264 20 5 GGBDRM Cc1sc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822553051 1441819129 /nfs/dbraw/zinc/81/91/29/1441819129.db2.gz HULCOHBILAFHST-UHFFFAOYSA-N -1 0 388.409 3.184 20 5 GGBDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820291984 1441876540 /nfs/dbraw/zinc/87/65/40/1441876540.db2.gz BPWTXESZHDFJMD-SECBINFHSA-N -1 0 393.329 3.232 20 5 GGBDRM O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823639656 1441915601 /nfs/dbraw/zinc/91/56/01/1441915601.db2.gz FFYVXMSNCXEOJJ-GUYCJALGSA-N -1 0 398.423 3.241 20 5 GGBDRM Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000822351122 1441931983 /nfs/dbraw/zinc/93/19/83/1441931983.db2.gz KQGNJTHEBUOQEX-UGSOOPFHSA-N -1 0 380.408 3.050 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NCCc3ccc(Cl)nc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645068 1441977912 /nfs/dbraw/zinc/97/79/12/1441977912.db2.gz NJEGUTXMUZPIKH-UHFFFAOYSA-N -1 0 396.798 3.026 20 5 GGBDRM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736746806 1442109508 /nfs/dbraw/zinc/10/95/08/1442109508.db2.gz BXQDGZFZLOBOGN-UHFFFAOYSA-N -1 0 398.379 3.405 20 5 GGBDRM C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000820461397 1442152416 /nfs/dbraw/zinc/15/24/16/1442152416.db2.gz JHSVUNPBFTZSMO-MRVPVSSYSA-N -1 0 379.302 3.362 20 5 GGBDRM COc1ccc(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000826191219 1442208784 /nfs/dbraw/zinc/20/87/84/1442208784.db2.gz AAKZJBHDBXHAJD-GFCCVEGCSA-N -1 0 398.423 3.083 20 5 GGBDRM CSc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821976679 1442285532 /nfs/dbraw/zinc/28/55/32/1442285532.db2.gz CNCJLICJGAQWMQ-JTQLQIEISA-N -1 0 385.405 3.415 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2ccc(Br)cc21 ZINC000738359394 1442302957 /nfs/dbraw/zinc/30/29/57/1442302957.db2.gz QVDCMHXGZOSZKM-UHFFFAOYSA-N -1 0 387.197 3.232 20 5 GGBDRM COc1ccc(CNc2cc(C)nc3c2cccc3[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826203449 1442429221 /nfs/dbraw/zinc/42/92/21/1442429221.db2.gz OJZFCKXZYLNFJM-UHFFFAOYSA-N -1 0 391.391 3.252 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823646913 1442463326 /nfs/dbraw/zinc/46/33/26/1442463326.db2.gz CTJIRZOBJWSIFJ-UHFFFAOYSA-N -1 0 399.754 3.057 20 5 GGBDRM Cc1c(NC(=O)[C@@H](C)Sc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000822060726 1443097025 /nfs/dbraw/zinc/09/70/25/1443097025.db2.gz IJYIJJCQJSZNMW-LLVKDONJSA-N -1 0 384.421 3.203 20 5 GGBDRM CCc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000821476605 1443113428 /nfs/dbraw/zinc/11/34/28/1443113428.db2.gz QCRRIGVGVUPCGZ-UHFFFAOYSA-N -1 0 394.435 3.388 20 5 GGBDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826401678 1443140946 /nfs/dbraw/zinc/14/09/46/1443140946.db2.gz DPBLXTGAEFZQAI-SOFGYWHQSA-N -1 0 385.767 3.185 20 5 GGBDRM CC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820914869 1443188225 /nfs/dbraw/zinc/18/82/25/1443188225.db2.gz QTPKLVXQMSYVFL-SXSDINLZSA-N -1 0 378.392 3.056 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823630306 1443192821 /nfs/dbraw/zinc/19/28/21/1443192821.db2.gz WMQCXFPGNMSUMU-RHSMWYFYSA-N -1 0 398.423 3.241 20 5 GGBDRM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826401134 1443274729 /nfs/dbraw/zinc/27/47/29/1443274729.db2.gz QJYYHZUSEGQOTB-BAQGIRSFSA-N -1 0 385.767 3.185 20 5 GGBDRM CCCOc1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000821134586 1443285137 /nfs/dbraw/zinc/28/51/37/1443285137.db2.gz ZCAYWCGONOOPSN-UHFFFAOYSA-N -1 0 380.408 3.126 20 5 GGBDRM Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000822351120 1443301325 /nfs/dbraw/zinc/30/13/25/1443301325.db2.gz KQGNJTHEBUOQEX-SCLBCKFNSA-N -1 0 380.408 3.050 20 5 GGBDRM C[C@@H](c1ccccc1)n1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000820570030 1443350645 /nfs/dbraw/zinc/35/06/45/1443350645.db2.gz BTYJKHURIHTNAV-LBPRGKRZSA-N -1 0 376.380 3.324 20 5 GGBDRM COc1ccc(OC)c([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821841656 1443404628 /nfs/dbraw/zinc/40/46/28/1443404628.db2.gz LAWHNDIBQTZGPY-INIZCTEOSA-N -1 0 396.407 3.134 20 5 GGBDRM Cc1cc(C)c(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000737249312 1443411516 /nfs/dbraw/zinc/41/15/16/1443411516.db2.gz WCKXIZLYAAQVAY-UHFFFAOYSA-N -1 0 385.405 3.089 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822194974 1443470792 /nfs/dbraw/zinc/47/07/92/1443470792.db2.gz BSXDPRZOCLJEGY-UHFFFAOYSA-N -1 0 392.379 3.054 20 5 GGBDRM O=[N+]([O-])c1ccc(-c2ccc(CNCc3cc(-c4nn[n-]n4)ccc3F)o2)cc1 ZINC000823634957 1443477095 /nfs/dbraw/zinc/47/70/95/1443477095.db2.gz OWLGDBCNVYNAFJ-UHFFFAOYSA-N -1 0 394.366 3.464 20 5 GGBDRM C[C@@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705919 1443508053 /nfs/dbraw/zinc/50/80/53/1443508053.db2.gz WVQDXDNPZUSSHT-PXAZEXFGSA-N -1 0 397.439 3.330 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826293345 1443537242 /nfs/dbraw/zinc/53/72/42/1443537242.db2.gz LSOBFPWLUSOCNM-CHOZFAJLSA-N -1 0 379.376 3.401 20 5 GGBDRM C[C@@H](OC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824707693 1443549914 /nfs/dbraw/zinc/54/99/14/1443549914.db2.gz TYNKPHRLVPTDDQ-SNVBAGLBSA-N -1 0 389.318 3.171 20 5 GGBDRM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738210397 1443576244 /nfs/dbraw/zinc/57/62/44/1443576244.db2.gz PEVWMCNDYZOSHX-UHFFFAOYSA-N -1 0 390.812 3.231 20 5 GGBDRM O=[N+]([O-])c1ccc(N[C@H](C[C@H]2CCOC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826498585 1443639272 /nfs/dbraw/zinc/63/92/72/1443639272.db2.gz BLARKTPUFQDVHW-FZKQIMNGSA-N -1 0 380.408 3.355 20 5 GGBDRM O=[N+]([O-])c1ccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000738366885 1443665139 /nfs/dbraw/zinc/66/51/39/1443665139.db2.gz JQEQYIWDPJYXBR-UHFFFAOYSA-N -1 0 375.385 3.226 20 5 GGBDRM CN(Cc1ccc(F)cc1-c1nn[n-]n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736814650 1443682749 /nfs/dbraw/zinc/68/27/49/1443682749.db2.gz RVMHKGRENIGIOV-UHFFFAOYSA-N -1 0 376.779 3.199 20 5 GGBDRM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000736679340 1443686830 /nfs/dbraw/zinc/68/68/30/1443686830.db2.gz RSJIKMXWAGBCDK-UHFFFAOYSA-N -1 0 378.801 3.305 20 5 GGBDRM O=[N+]([O-])c1cnc(N2CCC[C@H](c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500547 1443698479 /nfs/dbraw/zinc/69/84/79/1443698479.db2.gz BSPPFXDASUBCFA-LBPRGKRZSA-N -1 0 383.387 3.083 20 5 GGBDRM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823070647 1443740126 /nfs/dbraw/zinc/74/01/26/1443740126.db2.gz JARJGYTUQWDQFZ-UHFFFAOYSA-N -1 0 390.812 3.159 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820557012 1443740796 /nfs/dbraw/zinc/74/07/96/1443740796.db2.gz XELHJCUJPHJCOF-VXGBXAGGSA-N -1 0 398.448 3.133 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccccc1N1CCCCC1 ZINC000826497628 1443751647 /nfs/dbraw/zinc/75/16/47/1443751647.db2.gz NUIXYFZPUNCTNR-UHFFFAOYSA-N -1 0 379.424 3.377 20 5 GGBDRM COc1cc(F)cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000826180839 1443794542 /nfs/dbraw/zinc/79/45/42/1443794542.db2.gz ZEXVNDMFXHRTBH-UHFFFAOYSA-N -1 0 395.354 3.083 20 5 GGBDRM CC(=O)c1ccc2cc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2c1 ZINC000819832897 1443865994 /nfs/dbraw/zinc/86/59/94/1443865994.db2.gz CKATYYXSWYDSBA-UHFFFAOYSA-N -1 0 376.332 3.318 20 5 GGBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735874912 1443875605 /nfs/dbraw/zinc/87/56/05/1443875605.db2.gz VZNKFQSWDLKSPJ-UHFFFAOYSA-N -1 0 399.386 3.357 20 5 GGBDRM 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ZINC000823648054 1446256841 /nfs/dbraw/zinc/25/68/41/1446256841.db2.gz SJFSEQMQJAUAFP-UHFFFAOYSA-N -1 0 394.160 3.256 20 5 GGBDRM Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1[N+](=O)[O-] ZINC000826281740 1446276932 /nfs/dbraw/zinc/27/69/32/1446276932.db2.gz IJIZQUZPGSNPAY-UHFFFAOYSA-N -1 0 390.403 3.013 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N[C@H]3CCc4ccccc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000738366707 1446283818 /nfs/dbraw/zinc/28/38/18/1446283818.db2.gz IAVCJLFLVHJORZ-AWEZNQCLSA-N -1 0 387.403 3.293 20 5 GGBDRM C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824648008 1446296723 /nfs/dbraw/zinc/29/67/23/1446296723.db2.gz CTZXRCTWEPIULE-LBPRGKRZSA-N -1 0 390.407 3.349 20 5 GGBDRM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000821304575 1446297157 /nfs/dbraw/zinc/29/71/57/1446297157.db2.gz LNQWMOGVDKQYQQ-UHFFFAOYSA-N -1 0 387.787 3.112 20 5 GGBDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822936443 1446320550 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Cc1sc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC001594512055 955397659 /nfs/dbraw/zinc/39/76/59/955397659.db2.gz HEADFZUOOIRKHA-KRWDZBQOSA-N -1 0 375.406 3.466 20 5 GGBDRM CC(C)C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001603036247 972096118 /nfs/dbraw/zinc/09/61/18/972096118.db2.gz QPBRQEHCGUQUMC-SECBINFHSA-N -1 0 393.621 3.240 20 5 GGBDRM C[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001589051887 955669685 /nfs/dbraw/zinc/66/96/85/955669685.db2.gz KOYUYEPDOAATPM-JLZZUVOBSA-N -1 0 383.404 3.311 20 5 GGBDRM C[C@](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001589063748 955735896 /nfs/dbraw/zinc/73/58/96/955735896.db2.gz CFTGXDZKWFUPPA-QGZVFWFLSA-N -1 0 380.759 3.160 20 5 GGBDRM C[C@](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589063746 955736006 /nfs/dbraw/zinc/73/60/06/955736006.db2.gz CFDIOWGTZNVHTI-QGZVFWFLSA-N -1 0 396.321 3.386 20 5 GGBDRM C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848452092 955739553 /nfs/dbraw/zinc/73/95/53/955739553.db2.gz NPTSRSDTMVEPIK-DVVUODLYSA-N -1 0 386.807 3.181 20 5 GGBDRM COC(=O)/C=C\c1ccc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])c1 ZINC000848637929 955772769 /nfs/dbraw/zinc/77/27/69/955772769.db2.gz NMNKRXNUXOKCFG-YWVRPJMDSA-N -1 0 376.409 3.328 20 5 GGBDRM CC(C)Oc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603080017 972150313 /nfs/dbraw/zinc/15/03/13/972150313.db2.gz GQVVRWZEOHKVFH-GOSISDBHSA-N -1 0 384.388 3.206 20 5 GGBDRM C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114494 956084208 /nfs/dbraw/zinc/08/42/08/956084208.db2.gz QNTAKSUAUVSHLL-KXUCPTDWSA-N -1 0 399.241 3.223 20 5 GGBDRM C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115119 956089907 /nfs/dbraw/zinc/08/99/07/956089907.db2.gz OCKICBBRSLUCLU-INTQDDNPSA-N -1 0 399.241 3.223 20 5 GGBDRM C[C@](NCc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001589128230 956177319 /nfs/dbraw/zinc/17/73/19/956177319.db2.gz FIQHJEZIENTEIS-MRXNPFEDSA-N -1 0 379.210 3.447 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC001589137008 956235421 /nfs/dbraw/zinc/23/54/21/956235421.db2.gz RZQGRGWTMVKOMC-PBFPGSCMSA-N -1 0 398.419 3.241 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC001589137007 956235544 /nfs/dbraw/zinc/23/55/44/956235544.db2.gz RZQGRGWTMVKOMC-IIYDPXPESA-N -1 0 398.419 3.241 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589168297 956441348 /nfs/dbraw/zinc/44/13/48/956441348.db2.gz ZAVJZSVXPLEURO-VFZGTOFNSA-N -1 0 396.758 3.097 20 5 GGBDRM Nc1c(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(Cl)cc1[N+](=O)[O-] ZINC001594662694 956545476 /nfs/dbraw/zinc/54/54/76/956545476.db2.gz AJVSCBMDJIUZGM-NWDGAFQWSA-N -1 0 390.783 3.265 20 5 GGBDRM Nc1c(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(Cl)cc1[N+](=O)[O-] ZINC001594662693 956545656 /nfs/dbraw/zinc/54/56/56/956545656.db2.gz AJVSCBMDJIUZGM-NEPJUHHUSA-N -1 0 390.783 3.265 20 5 GGBDRM O=C([O-])c1c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)sc2c1CCCC2 ZINC001594702297 956813141 /nfs/dbraw/zinc/81/31/41/956813141.db2.gz QGDNKTJPMFIUQN-UHFFFAOYSA-N -1 0 394.380 3.390 20 5 GGBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001594702938 956823256 /nfs/dbraw/zinc/82/32/56/956823256.db2.gz RCWHEPKJZHWLDO-ZJUUUORDSA-N -1 0 392.355 3.075 20 5 GGBDRM O=C([O-])[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])c2ccc(Br)cc21 ZINC000903412400 956838756 /nfs/dbraw/zinc/83/87/56/956838756.db2.gz YBXHTBXNLINSHY-LBPRGKRZSA-N -1 0 392.209 3.331 20 5 GGBDRM CSc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000013177459 956957378 /nfs/dbraw/zinc/95/73/78/956957378.db2.gz DTJDJVUAEPWXKE-CYBMUJFWSA-N -1 0 378.381 3.402 20 5 GGBDRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c2ccccc21 ZINC001594726269 957007328 /nfs/dbraw/zinc/00/73/28/957007328.db2.gz KSVJERRVKGEUGB-OLZOCXBDSA-N -1 0 392.314 3.239 20 5 GGBDRM O=C([O-])c1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000013404898 957052251 /nfs/dbraw/zinc/05/22/51/957052251.db2.gz KGLWYGWINLHJQL-UHFFFAOYSA-N -1 0 384.266 3.486 20 5 GGBDRM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000013413086 957055048 /nfs/dbraw/zinc/05/50/48/957055048.db2.gz IGXUVCJJYFMQPN-UHFFFAOYSA-N -1 0 385.376 3.027 20 5 GGBDRM CON(C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](C)C(=O)[O-] ZINC001594040167 957858737 /nfs/dbraw/zinc/85/87/37/957858737.db2.gz TVBNRONHNSKTRY-NSHDSACASA-N -1 0 376.390 3.223 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594307624 957981308 /nfs/dbraw/zinc/98/13/08/957981308.db2.gz PMDOJOBRJALXAR-VVHFOWEKSA-N -1 0 397.815 3.091 20 5 GGBDRM COc1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OC(F)F ZINC001594050463 957981403 /nfs/dbraw/zinc/98/14/03/957981403.db2.gz DDJQKFYUVNTKPM-UHFFFAOYSA-N -1 0 397.286 3.260 20 5 GGBDRM Cc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594317252 958081017 /nfs/dbraw/zinc/08/10/17/958081017.db2.gz VTRUMZXKNYBTNW-VQHVLOKHSA-N -1 0 382.332 3.032 20 5 GGBDRM Cc1cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594324727 958150250 /nfs/dbraw/zinc/15/02/50/958150250.db2.gz AFDAOAQYQQEGHJ-SREVYHEPSA-N -1 0 382.332 3.032 20 5 GGBDRM Cc1cc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ccc1[N+](=O)[O-] ZINC001594328173 958191583 /nfs/dbraw/zinc/19/15/83/958191583.db2.gz IQDFNNMNCWGHEB-UHFFFAOYSA-N -1 0 382.731 3.411 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1F ZINC001594329886 958208170 /nfs/dbraw/zinc/20/81/70/958208170.db2.gz SHUUWTCQYMHRGK-LBPRGKRZSA-N -1 0 376.315 3.006 20 5 GGBDRM Cc1cccc(C(=O)[O-])c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001594387686 958691902 /nfs/dbraw/zinc/69/19/02/958691902.db2.gz KPMJNVUPHNAEOK-UHFFFAOYSA-N -1 0 383.404 3.457 20 5 GGBDRM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001588517054 958805430 /nfs/dbraw/zinc/80/54/30/958805430.db2.gz HLKHERPSRHUDON-GFCCVEGCSA-N -1 0 399.831 3.216 20 5 GGBDRM C[C@](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC001603239486 972380961 /nfs/dbraw/zinc/38/09/61/972380961.db2.gz ORWICUKYYKINBY-MRXNPFEDSA-N -1 0 382.294 3.343 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c2ccccc21 ZINC001605743354 972386205 /nfs/dbraw/zinc/38/62/05/972386205.db2.gz IUGLUNFJFNIQDP-DGCLKSJQSA-N -1 0 378.743 3.430 20 5 GGBDRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c2ccccc21 ZINC001605743355 972386701 /nfs/dbraw/zinc/38/67/01/972386701.db2.gz IUGLUNFJFNIQDP-WCQYABFASA-N -1 0 378.743 3.430 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c2ccccc21 ZINC001605744511 972393930 /nfs/dbraw/zinc/39/39/30/972393930.db2.gz UYKYMHPJVYXUAG-HZPDHXFCSA-N -1 0 377.356 3.186 20 5 GGBDRM C[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001588575436 959218706 /nfs/dbraw/zinc/21/87/06/959218706.db2.gz CSRHSEULIPTUCF-SNVBAGLBSA-N -1 0 378.768 3.486 20 5 GGBDRM CC(C)Oc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001573555072 959253462 /nfs/dbraw/zinc/25/34/62/959253462.db2.gz XTNPJFFWWFHVDR-MRXNPFEDSA-N -1 0 376.340 3.077 20 5 GGBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C(=O)[O-] ZINC001594238222 959516701 /nfs/dbraw/zinc/51/67/01/959516701.db2.gz JJLPFARZCCSTLV-JTQLQIEISA-N -1 0 377.784 3.063 20 5 GGBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573622459 959522168 /nfs/dbraw/zinc/52/21/68/959522168.db2.gz LDSVFZPNWUJUJC-AQUOVQTQSA-N -1 0 388.342 3.479 20 5 GGBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573624275 959531738 /nfs/dbraw/zinc/53/17/38/959531738.db2.gz FWHCZGTWJLBATF-DVVUODLYSA-N -1 0 399.241 3.223 20 5 GGBDRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000191539466 959579162 /nfs/dbraw/zinc/57/91/62/959579162.db2.gz VQRWACOINUUUNR-ZDUSSCGKSA-N -1 0 376.796 3.454 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001594251941 959615601 /nfs/dbraw/zinc/61/56/01/959615601.db2.gz AJBPMRQVKHEJOC-UHFFFAOYSA-N -1 0 395.165 3.322 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001594252338 959618758 /nfs/dbraw/zinc/61/87/58/959618758.db2.gz NTXJHGYLSGTABG-UHFFFAOYSA-N -1 0 385.214 3.039 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594252239 959618830 /nfs/dbraw/zinc/61/88/30/959618830.db2.gz MKVLPWKKDDXXFT-UHFFFAOYSA-N -1 0 380.154 3.011 20 5 GGBDRM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001594252438 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C[C@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000737707792 978435579 /nfs/dbraw/zinc/43/55/79/978435579.db2.gz SYDXQGPQLSBOOU-ZDUSSCGKSA-N -1 0 395.371 3.006 20 5 GGBDRM COc1cc(C(=O)N(C)c2ccccc2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000738073381 978473528 /nfs/dbraw/zinc/47/35/28/978473528.db2.gz BFCQGAMODLPGDO-UHFFFAOYSA-N -1 0 396.302 3.180 20 5 GGBDRM C[C@H](CN(C)C(=O)OC(C)(C)C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001592575108 978477166 /nfs/dbraw/zinc/47/71/66/978477166.db2.gz GLWRWGISBBCNPH-YPUOHESYSA-N -1 0 379.413 3.360 20 5 GGBDRM C[C@@H](CN(Cc1ccccc1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001592602073 978538935 /nfs/dbraw/zinc/53/89/35/978538935.db2.gz JBGMPWFZAKKJLE-HNNXBMFYSA-N -1 0 398.415 3.307 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@@H](c2nccs2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000738674061 978586196 /nfs/dbraw/zinc/58/61/96/978586196.db2.gz XNQWXZZQOCCNGR-OAHLLOKOSA-N -1 0 383.385 3.269 20 5 GGBDRM 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ZINC000746994165 978686159 /nfs/dbraw/zinc/68/61/59/978686159.db2.gz CGEAIPWLZGHBMD-VURMDHGXSA-N -1 0 397.431 3.137 20 5 GGBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000766877014 978728217 /nfs/dbraw/zinc/72/82/17/978728217.db2.gz AZKISWSOKUVYRC-UHFFFAOYSA-N -1 0 387.348 3.252 20 5 GGBDRM O=C([O-])CCCOc1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000767175339 978735968 /nfs/dbraw/zinc/73/59/68/978735968.db2.gz AUURWAHGHXSLIN-GHXNOFRVSA-N -1 0 384.388 3.168 20 5 GGBDRM O=C([O-])CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCCCC1 ZINC000777380836 978778395 /nfs/dbraw/zinc/77/83/95/978778395.db2.gz ODYWYILJGSQMAS-UHFFFAOYSA-N -1 0 389.452 3.350 20 5 GGBDRM O=C([O-])c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000777383506 978779140 /nfs/dbraw/zinc/77/91/40/978779140.db2.gz QWOWPPCSXKCECV-UHFFFAOYSA-N -1 0 397.431 3.256 20 5 GGBDRM COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC000832010581 979036899 /nfs/dbraw/zinc/03/68/99/979036899.db2.gz HSERJWZMNQHQJL-LBPRGKRZSA-N -1 0 389.383 3.156 20 5 GGBDRM CC(C)(C(=O)[O-])c1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000833418102 979181784 /nfs/dbraw/zinc/18/17/84/979181784.db2.gz DEJWFFUCKOBRHE-UHFFFAOYSA-N -1 0 384.435 3.166 20 5 GGBDRM C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC001592715787 979213142 /nfs/dbraw/zinc/21/31/42/979213142.db2.gz HPOMWHUFSOPWPW-JTQLQIEISA-N -1 0 398.824 3.028 20 5 GGBDRM C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC001592728928 979239146 /nfs/dbraw/zinc/23/91/46/979239146.db2.gz HVGRDONAXBFZOI-LBPRGKRZSA-N -1 0 382.376 3.488 20 5 GGBDRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000833781226 979241346 /nfs/dbraw/zinc/24/13/46/979241346.db2.gz WECOJXMBERVBLL-UHFFFAOYSA-N -1 0 385.250 3.391 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000844206931 979355070 /nfs/dbraw/zinc/35/50/70/979355070.db2.gz PEIXDPACQQKOPN-OAHLLOKOSA-N -1 0 384.388 3.335 20 5 GGBDRM O=C([O-])/C=C\c1ccc(NCc2ccccc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000844207581 979356490 /nfs/dbraw/zinc/35/64/90/979356490.db2.gz IFSNVKFSVSKLBC-VURMDHGXSA-N -1 0 383.404 3.141 20 5 GGBDRM C[C@@](COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)(C(=O)[O-])c1ccccc1 ZINC001592765353 979370622 /nfs/dbraw/zinc/37/06/22/979370622.db2.gz RXOIGYXUWHOZQS-FQEVSTJZSA-N -1 0 382.372 3.135 20 5 GGBDRM O=C([O-])/C=C\c1ccc(NC2CCC(O)(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000844215494 979376691 /nfs/dbraw/zinc/37/66/91/979376691.db2.gz QEVBAESLDZZMOX-XQRVVYSFSA-N -1 0 383.404 3.330 20 5 GGBDRM CC(C)n1cc(C2=CCCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)nn1 ZINC000844215618 979376702 /nfs/dbraw/zinc/37/67/02/979376702.db2.gz HNMHSSVOABWCDN-UHFFFAOYSA-N -1 0 385.424 3.078 20 5 GGBDRM COc1cc2c(cc1Cl)CN(c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000844215249 979377072 /nfs/dbraw/zinc/37/70/72/979377072.db2.gz FTEYKAOMORCVHZ-UHFFFAOYSA-N -1 0 376.796 3.447 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([C@@H](O)c3ccccc3C)CC2)n1 ZINC000844219834 979383844 /nfs/dbraw/zinc/38/38/44/979383844.db2.gz XFQGYDZMIMCWNN-GOSISDBHSA-N -1 0 385.420 3.255 20 5 GGBDRM CC(=O)c1ccc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)c([N+](=O)[O-])c1 ZINC000863480464 979672247 /nfs/dbraw/zinc/67/22/47/979672247.db2.gz QVHXFEKBMWELCT-UHFFFAOYSA-N -1 0 375.406 3.336 20 5 GGBDRM C[C@H](Cc1cccc(Br)c1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592882441 979752395 /nfs/dbraw/zinc/75/23/95/979752395.db2.gz DCSUFHHUJMLKAK-SECBINFHSA-N -1 0 380.198 3.494 20 5 GGBDRM C[C@@H](Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592884034 979764716 /nfs/dbraw/zinc/76/47/16/979764716.db2.gz ZBVBAJQQNHCQPR-NSHDSACASA-N -1 0 378.406 3.005 20 5 GGBDRM C[C@H](Cc1ccccc1Br)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001592892168 979789598 /nfs/dbraw/zinc/78/95/98/979789598.db2.gz WOCWYHLMSIYNBB-SECBINFHSA-N -1 0 380.198 3.494 20 5 GGBDRM C[C@](CC(=O)[O-])(NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000864199284 979873012 /nfs/dbraw/zinc/87/30/12/979873012.db2.gz SOUKCYOGJDUOGE-QGZVFWFLSA-N -1 0 375.406 3.092 20 5 GGBDRM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001592913065 979884981 /nfs/dbraw/zinc/88/49/81/979884981.db2.gz SUIRMOINHVWGIO-JTQLQIEISA-N -1 0 385.401 3.264 20 5 GGBDRM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001592913066 979885159 /nfs/dbraw/zinc/88/51/59/979885159.db2.gz SUIRMOINHVWGIO-SNVBAGLBSA-N -1 0 385.401 3.264 20 5 GGBDRM C[C@@H](Cn1ncc2ccccc21)C(=O)OCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592929828 979961072 /nfs/dbraw/zinc/96/10/72/979961072.db2.gz NIEFUOIHEVPJPT-LBPRGKRZSA-N -1 0 383.360 3.022 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001595211240 979989522 /nfs/dbraw/zinc/98/95/22/979989522.db2.gz FMTWSLLRLPRLAR-VBKZILBWSA-N -1 0 388.395 3.419 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001595211224 979989617 /nfs/dbraw/zinc/98/96/17/979989617.db2.gz DVDYYTFMHLLVKA-WBVHZDCISA-N -1 0 382.416 3.454 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001595211783 979994865 /nfs/dbraw/zinc/99/48/65/979994865.db2.gz IYLFTYHSDVTEKT-ZDUSSCGKSA-N -1 0 396.403 3.387 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001595212432 979999799 /nfs/dbraw/zinc/99/97/99/979999799.db2.gz OPQJKUCVMJZVMK-DNVCBOLYSA-N -1 0 382.416 3.374 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001595212435 980000106 /nfs/dbraw/zinc/00/01/06/980000106.db2.gz OPQJKUCVMJZVMK-HNAYVOBHSA-N -1 0 382.416 3.374 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595212715 980001677 /nfs/dbraw/zinc/00/16/77/980001677.db2.gz QPEJZMKDIHNRDQ-OAHLLOKOSA-N -1 0 386.404 3.187 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595213561 980007014 /nfs/dbraw/zinc/00/70/14/980007014.db2.gz VCNHJYSJIDVBOV-CMPLNLGQSA-N -1 0 377.422 3.196 20 5 GGBDRM C[C@H](N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1)C(F)(F)F ZINC001592969575 980100101 /nfs/dbraw/zinc/10/01/01/980100101.db2.gz UEJMEOPOQVWCRV-QMMMGPOBSA-N -1 0 381.738 3.019 20 5 GGBDRM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ncc(C(=O)[O-])s1 ZINC001592990271 980178050 /nfs/dbraw/zinc/17/80/50/980178050.db2.gz PCHXSPXJGILXMY-MRVPVSSYSA-N -1 0 381.385 3.044 20 5 GGBDRM C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592994417 980204222 /nfs/dbraw/zinc/20/42/22/980204222.db2.gz XSRMFZYOVHLQPJ-LRDDRELGSA-N -1 0 392.358 3.135 20 5 GGBDRM C[C@@](NC(=O)/C=C\c1ccc2[nH]ccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010068 980239795 /nfs/dbraw/zinc/23/97/95/980239795.db2.gz AFTGPQAWLSZCQQ-LZVBJTEYSA-N -1 0 379.372 3.206 20 5 GGBDRM C[C@](NC(=O)/C=C\c1ccc2ccccc2n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593011992 980249853 /nfs/dbraw/zinc/24/98/53/980249853.db2.gz XTYXAJNOWKHQKV-AXUYNXDZSA-N -1 0 391.383 3.272 20 5 GGBDRM C[C@@](NC(=O)/C=C\c1ccc2ccccc2n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593011993 980250350 /nfs/dbraw/zinc/25/03/50/980250350.db2.gz XTYXAJNOWKHQKV-GMGKOPGTSA-N -1 0 391.383 3.272 20 5 GGBDRM C[C@@](NC(=O)/C=C/c1ccc2ccccc2n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593011995 980250363 /nfs/dbraw/zinc/25/03/63/980250363.db2.gz XTYXAJNOWKHQKV-VIOKTNGOSA-N -1 0 391.383 3.272 20 5 GGBDRM C[C@@](NC(=O)CCc1cnc2ccccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593019906 980275056 /nfs/dbraw/zinc/27/50/56/980275056.db2.gz LQHSYXXGMRXGSJ-NRFANRHFSA-N -1 0 393.399 3.192 20 5 GGBDRM C[C@](NC(=O)CSCc1ccc(F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593036309 980313697 /nfs/dbraw/zinc/31/36/97/980313697.db2.gz KXGPKMKRAPPBSX-GOSISDBHSA-N -1 0 392.408 3.083 20 5 GGBDRM C[C@@H](NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001593036486 980314103 /nfs/dbraw/zinc/31/41/03/980314103.db2.gz NKCDSTNZUFOQPY-SNVBAGLBSA-N -1 0 378.768 3.203 20 5 GGBDRM C[C@@](NC(=O)CSc1ccc(Cl)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593037079 980316641 /nfs/dbraw/zinc/31/66/41/980316641.db2.gz WWOQJGAWPAKCOG-KRWDZBQOSA-N -1 0 394.836 3.457 20 5 GGBDRM C[C@](NC(=O)Cc1ccc(F)c(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593039539 980317898 /nfs/dbraw/zinc/31/78/98/980317898.db2.gz BCZOIWRTQDKFLN-QGZVFWFLSA-N -1 0 380.759 3.046 20 5 GGBDRM C[C@@](NC(=O)Cc1ccc(F)c(Cl)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593039538 980317944 /nfs/dbraw/zinc/31/79/44/980317944.db2.gz BCZOIWRTQDKFLN-KRWDZBQOSA-N -1 0 380.759 3.046 20 5 GGBDRM C[C@@H](NC(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001593037313 980318057 /nfs/dbraw/zinc/31/80/57/980318057.db2.gz YULQHQFXAVHDRZ-SNVBAGLBSA-N -1 0 378.768 3.203 20 5 GGBDRM CN(c1ccccc1)c1ccc(CN2CCO[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901503456 980323595 /nfs/dbraw/zinc/32/35/95/980323595.db2.gz RIKIVECLTBZCEM-KRWDZBQOSA-N -1 0 385.420 3.038 20 5 GGBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593050635 980343484 /nfs/dbraw/zinc/34/34/84/980343484.db2.gz DOSYOIBCYONNII-NSHDSACASA-N -1 0 392.437 3.431 20 5 GGBDRM CC[C@@H](c1ccc(F)cc1)N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595359527 980742179 /nfs/dbraw/zinc/74/21/79/980742179.db2.gz CWVRGNXHZIUNCA-INIZCTEOSA-N -1 0 388.399 3.100 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001595360845 980756176 /nfs/dbraw/zinc/75/61/76/980756176.db2.gz BJKGONZNJYKQKU-KRWDZBQOSA-N -1 0 396.403 3.009 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001595361341 980761136 /nfs/dbraw/zinc/76/11/36/980761136.db2.gz WIOCDPZSFGXBNR-AWEZNQCLSA-N -1 0 386.360 3.002 20 5 GGBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001595361342 980761410 /nfs/dbraw/zinc/76/14/10/980761410.db2.gz WIOCDPZSFGXBNR-CQSZACIVSA-N -1 0 386.360 3.002 20 5 GGBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001595361743 980765248 /nfs/dbraw/zinc/76/52/48/980765248.db2.gz NQPZDXLMRZGQJR-OAHLLOKOSA-N -1 0 390.367 3.421 20 5 GGBDRM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595363337 980780878 /nfs/dbraw/zinc/78/08/78/980780878.db2.gz FMDSYKUYUAQFEF-MRXNPFEDSA-N -1 0 392.433 3.455 20 5 GGBDRM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595364149 980790851 /nfs/dbraw/zinc/79/08/51/980790851.db2.gz PJXXZQRBXNUHJJ-INIZCTEOSA-N -1 0 392.433 3.455 20 5 GGBDRM CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001595384073 980930282 /nfs/dbraw/zinc/93/02/82/980930282.db2.gz LQQWMZSPEBEXCX-HNNXBMFYSA-N -1 0 399.451 3.345 20 5 GGBDRM CCC1CCC(N(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001595420518 981036067 /nfs/dbraw/zinc/03/60/67/981036067.db2.gz QEQJJAUFNMRHRM-UHFFFAOYSA-N -1 0 396.465 3.415 20 5 GGBDRM CCC1CCC(N(CCO)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001595420535 981036384 /nfs/dbraw/zinc/03/63/84/981036384.db2.gz RBDNYUSOMLFYRI-UHFFFAOYSA-N -1 0 393.440 3.396 20 5 GGBDRM CCCC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2F)NC(=O)N1CC1CC1 ZINC001595618688 981668240 /nfs/dbraw/zinc/66/82/40/981668240.db2.gz FGKSBPPGIRYBTJ-MRXNPFEDSA-N -1 0 377.372 3.349 20 5 GGBDRM CCC[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001595621694 981702434 /nfs/dbraw/zinc/70/24/34/981702434.db2.gz NATMUIDBXIMHQQ-STQMWFEESA-N -1 0 384.454 3.178 20 5 GGBDRM CCC[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595621855 981703744 /nfs/dbraw/zinc/70/37/44/981703744.db2.gz QBKYVSXTCADWSU-QWHCGFSZSA-N -1 0 384.454 3.178 20 5 GGBDRM CCC[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595621853 981703828 /nfs/dbraw/zinc/70/38/28/981703828.db2.gz QBKYVSXTCADWSU-CHWSQXEVSA-N -1 0 384.454 3.178 20 5 GGBDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001594790739 981843465 /nfs/dbraw/zinc/84/34/65/981843465.db2.gz GEDZBEUFAFDZTK-MRXNPFEDSA-N -1 0 399.241 3.463 20 5 GGBDRM CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595633034 981864849 /nfs/dbraw/zinc/86/48/49/981864849.db2.gz ACCCKLSQVXPQPK-GFCCVEGCSA-N -1 0 396.444 3.492 20 5 GGBDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001594794220 981868918 /nfs/dbraw/zinc/86/89/18/981868918.db2.gz XKHMAWYMFZRNKK-KRWDZBQOSA-N -1 0 386.351 3.302 20 5 GGBDRM CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001595633813 981877310 /nfs/dbraw/zinc/87/73/10/981877310.db2.gz XHDQWQLVBDLDAR-GFCCVEGCSA-N -1 0 382.417 3.183 20 5 GGBDRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000910404563 981919659 /nfs/dbraw/zinc/91/96/59/981919659.db2.gz KUWUCAGVOVKBEY-KRWDZBQOSA-N -1 0 375.812 3.196 20 5 GGBDRM 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C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593163761 994003341 /nfs/dbraw/zinc/00/33/41/994003341.db2.gz UCWNXHGOGDNTIS-RISCZKNCSA-N -1 0 376.796 3.310 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(F)cc1NCc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593166825 994007220 /nfs/dbraw/zinc/00/72/20/994007220.db2.gz CEYBXJHXHUBQIE-SECBINFHSA-N -1 0 395.774 3.202 20 5 GGBDRM C[C@H](CCNc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001593170156 994024815 /nfs/dbraw/zinc/02/48/15/994024815.db2.gz JAOSGKHIDSFVOQ-ZIAGYGMSSA-N -1 0 385.420 3.403 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170208 994024949 /nfs/dbraw/zinc/02/49/49/994024949.db2.gz JPONBTHNZDAMPU-PBHICJAKSA-N -1 0 397.431 3.009 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(NC(C2CCC2)C2CCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170290 994026133 /nfs/dbraw/zinc/02/61/33/994026133.db2.gz KITZZGCVWJRJPY-LLVKDONJSA-N -1 0 375.425 3.178 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170538 994026859 /nfs/dbraw/zinc/02/68/59/994026859.db2.gz NNAJYDMCDBZYAE-JSGCOSHPSA-N -1 0 377.441 3.060 20 5 GGBDRM C[C@H](NC(=O)c1ccc(NC2CCC(C(F)F)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593170886 994028773 /nfs/dbraw/zinc/02/87/73/994028773.db2.gz QGXZZPIGLXWSGA-BMQDGWLCSA-N -1 0 385.367 3.034 20 5 GGBDRM C[C@](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593171579 994032722 /nfs/dbraw/zinc/03/27/22/994032722.db2.gz AXBSVGVJSZIAMJ-QGZVFWFLSA-N -1 0 398.293 3.065 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171724 994034295 /nfs/dbraw/zinc/03/42/95/994034295.db2.gz ZDISIPDAEVXCRK-RHSMWYFYSA-N -1 0 397.431 3.182 20 5 GGBDRM C[C@H](NC(=O)c1ccc(NCc2ccc(Cl)cc2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171747 994034434 /nfs/dbraw/zinc/03/44/34/994034434.db2.gz ZMDUYSHXQGSMQO-VIFPVBQESA-N -1 0 395.774 3.202 20 5 GGBDRM C[C@@](NC(=O)c1ccc(OC(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593171763 994034745 /nfs/dbraw/zinc/03/47/45/994034745.db2.gz FPLHVGKOXQUSKV-INIZCTEOSA-N -1 0 398.293 3.223 20 5 GGBDRM C[C@@](NC(=O)c1csc(Br)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593185107 994095338 /nfs/dbraw/zinc/09/53/38/994095338.db2.gz QKJCFDSWGRTNDE-AWEZNQCLSA-N -1 0 399.222 3.149 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001599622258 994100235 /nfs/dbraw/zinc/10/02/35/994100235.db2.gz UVJFKCUJNRDMME-UHFFFAOYSA-N -1 0 376.390 3.494 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001599622489 994102974 /nfs/dbraw/zinc/10/29/74/994102974.db2.gz PIRVHGGWKMOVPQ-CYBMUJFWSA-N -1 0 377.422 3.404 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001599622437 994103005 /nfs/dbraw/zinc/10/30/05/994103005.db2.gz NBDJNBWCLTWBBX-DOMZBBRYSA-N -1 0 387.392 3.057 20 5 GGBDRM C[C@](NC(=O)c1nc(-c2ccccc2)cs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593190233 994118994 /nfs/dbraw/zinc/11/89/94/994118994.db2.gz WUWKNBRERKRWJX-LJQANCHMSA-N -1 0 397.412 3.448 20 5 GGBDRM COc1ccc2c(ccn2CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599633772 994256758 /nfs/dbraw/zinc/25/67/58/994256758.db2.gz LALTWYDEBNUEJF-UHFFFAOYSA-N -1 0 383.360 3.203 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](Cc3cccc(F)c3)C(=O)[O-])c2c1 ZINC001599637964 994316282 /nfs/dbraw/zinc/31/62/82/994316282.db2.gz OENHGQRIODBPFI-CYBMUJFWSA-N -1 0 399.378 3.068 20 5 GGBDRM COc1cccc(-c2nc(C(=O)Oc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c(C)[nH]2)c1 ZINC001599639953 994344083 /nfs/dbraw/zinc/34/40/83/994344083.db2.gz DPSISVLIUAQDDY-UHFFFAOYSA-N -1 0 397.343 3.219 20 5 GGBDRM COc1cccc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001599641494 994365868 /nfs/dbraw/zinc/36/58/68/994365868.db2.gz PSPIYCUYXGTRGH-CQSZACIVSA-N -1 0 398.293 3.335 20 5 GGBDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001599644714 994409259 /nfs/dbraw/zinc/40/92/59/994409259.db2.gz VUDQMXAABMVUFZ-UHFFFAOYSA-N -1 0 376.390 3.300 20 5 GGBDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC001599647819 994450343 /nfs/dbraw/zinc/45/03/43/994450343.db2.gz FJMWKMUJBNKPOO-MRXNPFEDSA-N -1 0 390.417 3.223 20 5 GGBDRM COc1cccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1OC(F)F ZINC001599647937 994451972 /nfs/dbraw/zinc/45/19/72/994451972.db2.gz NLXNSKHSQKTVBJ-UHFFFAOYSA-N -1 0 383.259 3.122 20 5 GGBDRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001599651373 994507918 /nfs/dbraw/zinc/50/79/18/994507918.db2.gz XNOCFRVTRRBNIQ-KRWDZBQOSA-N -1 0 378.356 3.009 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC001599652602 994527977 /nfs/dbraw/zinc/52/79/77/994527977.db2.gz AXDVHZKDOWNFIY-SFHVURJKSA-N -1 0 394.330 3.002 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC001599654177 994552347 /nfs/dbraw/zinc/55/23/47/994552347.db2.gz SEAWGPCFORHISQ-IBGZPJMESA-N -1 0 390.367 3.171 20 5 GGBDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC001599654237 994553384 /nfs/dbraw/zinc/55/33/84/994553384.db2.gz UZWZRMKXSXJCSB-FQEVSTJZSA-N -1 0 397.387 3.205 20 5 GGBDRM CNC(=O)c1ccc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001598658457 994560016 /nfs/dbraw/zinc/56/00/16/994560016.db2.gz VFXZJIHSXMGMNX-UHFFFAOYSA-N -1 0 397.431 3.112 20 5 GGBDRM C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])c1ncc(C(=O)[O-])s1 ZINC001593286129 994641395 /nfs/dbraw/zinc/64/13/95/994641395.db2.gz OAHHUSRVLKZTGB-ZETCQYMHSA-N -1 0 386.227 3.363 20 5 GGBDRM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC001593288746 994659309 /nfs/dbraw/zinc/65/93/09/994659309.db2.gz NCOBHBBENUZCGO-JTQLQIEISA-N -1 0 386.339 3.333 20 5 GGBDRM C[C@@](NCc1cnc(-c2ccncc2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593309811 994768049 /nfs/dbraw/zinc/76/80/49/994768049.db2.gz BHXWBJATDQAPRH-SFHVURJKSA-N -1 0 384.417 3.203 20 5 GGBDRM CNc1c(C(=O)Nc2cccc(SCCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001598675831 994841953 /nfs/dbraw/zinc/84/19/53/994841953.db2.gz HKZFPMNXTCLQLB-UHFFFAOYSA-N -1 0 375.406 3.456 20 5 GGBDRM CNc1c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC001598676345 994851144 /nfs/dbraw/zinc/85/11/44/994851144.db2.gz QRPNKZYHRGVWJV-UHFFFAOYSA-N -1 0 379.756 3.006 20 5 GGBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001598677847 994876377 /nfs/dbraw/zinc/87/63/77/994876377.db2.gz AKKKIIYMFPRGLO-SFHVURJKSA-N -1 0 379.372 3.345 20 5 GGBDRM CNc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001598678555 994888445 /nfs/dbraw/zinc/88/84/45/994888445.db2.gz IADDWDOUEAQOSB-UHFFFAOYSA-N -1 0 395.165 3.316 20 5 GGBDRM COc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001599675391 994889625 /nfs/dbraw/zinc/88/96/25/994889625.db2.gz WSMDMKLQMUOBQN-LBPRGKRZSA-N -1 0 388.376 3.154 20 5 GGBDRM CNc1ccc(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)cc1[N+](=O)[O-] ZINC001598678781 994891331 /nfs/dbraw/zinc/89/13/31/994891331.db2.gz TVSWYKZCOCWDGA-UHFFFAOYSA-N -1 0 383.360 3.053 20 5 GGBDRM CNc1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC001598678949 994894624 /nfs/dbraw/zinc/89/46/24/994894624.db2.gz WWEARUADSZOYHB-KSSFIOAISA-N -1 0 397.431 3.330 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598680395 994917920 /nfs/dbraw/zinc/91/79/20/994917920.db2.gz GSTILCTZHSJUHY-UHFFFAOYSA-N -1 0 394.181 3.350 20 5 GGBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001598680437 994918994 /nfs/dbraw/zinc/91/89/94/994918994.db2.gz IKKPQGGOQBAZQM-CQSZACIVSA-N -1 0 383.404 3.185 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC001593360684 995026324 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YZSUWVAGEXIYNY-AJKQWTFCSA-N -1 0 383.356 3.410 20 5 GGBDRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001599545576 997916369 /nfs/dbraw/zinc/91/63/69/997916369.db2.gz YZSUWVAGEXIYNY-MMAALDBVSA-N -1 0 383.356 3.410 20 5 GGBDRM COc1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(OC)c1Cl ZINC001599441560 997937309 /nfs/dbraw/zinc/93/73/09/997937309.db2.gz PJGKJXIEWDSGGT-UHFFFAOYSA-N -1 0 380.740 3.216 20 5 GGBDRM COc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001599549394 997978724 /nfs/dbraw/zinc/97/87/24/997978724.db2.gz OIZCTYBEFSKYAC-MRXNPFEDSA-N -1 0 379.752 3.168 20 5 GGBDRM COCCN(Cc1cccs1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001599239512 998011313 /nfs/dbraw/zinc/01/13/13/998011313.db2.gz CLUCMAAHAIBUCD-UHFFFAOYSA-N -1 0 393.421 3.343 20 5 GGBDRM CC1=C(C(=O)[O-])[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=O)N1CCC(C)C ZINC001594095306 998064614 /nfs/dbraw/zinc/06/46/14/998064614.db2.gz IZICGQGDHZIEMK-OAHLLOKOSA-N -1 0 383.351 3.344 20 5 GGBDRM COC(=O)c1cc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001598948080 998093764 /nfs/dbraw/zinc/09/37/64/998093764.db2.gz SRMUCYOJUZNHPJ-UHFFFAOYSA-N -1 0 386.360 3.455 20 5 GGBDRM COc1cc(OC)cc([C@@H](OC(=O)c2cc([N+](=O)[O-])cc(C)c2F)C(=O)[O-])c1 ZINC001599453498 998148102 /nfs/dbraw/zinc/14/81/02/998148102.db2.gz WAXNFMUQHSPCCW-MRXNPFEDSA-N -1 0 393.323 3.042 20 5 GGBDRM COCC(=O)Nc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001599142432 998155345 /nfs/dbraw/zinc/15/53/45/998155345.db2.gz BMTFLHDMTVMEKN-UHFFFAOYSA-N -1 0 379.756 3.275 20 5 GGBDRM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)O1 ZINC001594106039 998165041 /nfs/dbraw/zinc/16/50/41/998165041.db2.gz XCYPOHDOSHPZQK-SDBXPKJASA-N -1 0 378.278 3.074 20 5 GGBDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc([N+](=O)[O-])c1C ZINC001599355100 998165626 /nfs/dbraw/zinc/16/56/26/998165626.db2.gz UTHSBFICYQJYKY-UHFFFAOYSA-N -1 0 381.344 3.411 20 5 GGBDRM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001598955246 998227427 /nfs/dbraw/zinc/22/74/27/998227427.db2.gz AMAHCOVJXIIMGQ-BJCXPLBRSA-N -1 0 394.449 3.231 20 5 GGBDRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1OC ZINC001599359425 998235420 /nfs/dbraw/zinc/23/54/20/998235420.db2.gz XHBFSCCJFQSJFP-VIFPVBQESA-N -1 0 392.339 3.192 20 5 GGBDRM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001598955957 998240776 /nfs/dbraw/zinc/24/07/76/998240776.db2.gz WKRVSQNEOCQVCV-UHFFFAOYSA-N -1 0 390.779 3.296 20 5 GGBDRM COC(=O)c1cc2ccccc2cc1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598956494 998250914 /nfs/dbraw/zinc/25/09/14/998250914.db2.gz JBEYIPDWZSZZSY-UHFFFAOYSA-N -1 0 395.323 3.452 20 5 GGBDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001599254059 998281625 /nfs/dbraw/zinc/28/16/25/998281625.db2.gz GJHYAWDQUAQKLS-GFCCVEGCSA-N -1 0 388.376 3.060 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001599461833 998285919 /nfs/dbraw/zinc/28/59/19/998285919.db2.gz CQGTWZGKLKTALT-CZUORRHYSA-N -1 0 376.409 3.099 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001599461829 998285974 /nfs/dbraw/zinc/28/59/74/998285974.db2.gz COAGJRVUWSZSFA-UHFFFAOYSA-N -1 0 396.302 3.198 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599461894 998287056 /nfs/dbraw/zinc/28/70/56/998287056.db2.gz HZSYGHCURXISAJ-UHFFFAOYSA-N -1 0 397.746 3.145 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001599462042 998289856 /nfs/dbraw/zinc/28/98/56/998289856.db2.gz NUNYPHYCBCINES-SWLSCSKDSA-N -1 0 387.392 3.057 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CSCc1ccccc1C(=O)[O-] ZINC001599462068 998290508 /nfs/dbraw/zinc/29/05/08/998290508.db2.gz OWFMFOLXLUEINT-UHFFFAOYSA-N -1 0 376.390 3.174 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1SC ZINC001599462356 998295975 /nfs/dbraw/zinc/29/59/75/998295975.db2.gz OKJUHTOZMPNBCY-GFCCVEGCSA-N -1 0 382.438 3.089 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001599462552 998299690 /nfs/dbraw/zinc/29/96/90/998299690.db2.gz ZBRRIDSDJFEJCH-CQSZACIVSA-N -1 0 378.768 3.203 20 5 GGBDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC001598961717 998344200 /nfs/dbraw/zinc/34/42/00/998344200.db2.gz WDVOJYLJVWUTSO-PKNBQFBNSA-N -1 0 384.344 3.122 20 5 GGBDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001598961716 998344690 /nfs/dbraw/zinc/34/46/90/998344690.db2.gz WDVOJYLJVWUTSO-LUAWRHEFSA-N -1 0 384.344 3.122 20 5 GGBDRM COCCOc1ccc(NC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1 ZINC001599259076 998355169 /nfs/dbraw/zinc/35/51/69/998355169.db2.gz HWUZUSRBMCZMBF-UHFFFAOYSA-N -1 0 389.364 3.271 20 5 GGBDRM COc1cc2c(cc1OC)[C@@H](C)N(c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])CC2 ZINC001599466264 998366733 /nfs/dbraw/zinc/36/67/33/998366733.db2.gz YBXLQKCKOPMRPW-LLVKDONJSA-N -1 0 387.392 3.137 20 5 GGBDRM COc1ccc(-c2cc(COC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)on2)cc1 ZINC001599467324 998386048 /nfs/dbraw/zinc/38/60/48/998386048.db2.gz GLKVCXLVWFDMAZ-UHFFFAOYSA-N -1 0 398.327 3.314 20 5 GGBDRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001599370230 998398669 /nfs/dbraw/zinc/39/86/69/998398669.db2.gz HGMNGBJOWJCEQU-VIFPVBQESA-N -1 0 394.767 3.361 20 5 GGBDRM COc1ccc(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC001599573963 998410838 /nfs/dbraw/zinc/41/08/38/998410838.db2.gz TZKLHSHTNBYDNT-UHFFFAOYSA-N -1 0 381.728 3.475 20 5 GGBDRM COc1ccc(-c2cnc(CN[C@@](C)(C(=O)[O-])c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001599468959 998415514 /nfs/dbraw/zinc/41/55/14/998415514.db2.gz YBGUOMLUQOTMAN-HXUWFJFHSA-N -1 0 397.387 3.348 20 5 GGBDRM COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001599161156 998460445 /nfs/dbraw/zinc/46/04/45/998460445.db2.gz WJKLVQJORLBYCK-LBPRGKRZSA-N -1 0 390.392 3.180 20 5 GGBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001599265523 998461478 /nfs/dbraw/zinc/46/14/78/998461478.db2.gz MYEQIEOBYMIJOD-UHFFFAOYSA-N -1 0 397.434 3.049 20 5 GGBDRM COc1ccc(Cl)cc1[C@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001599579801 998509938 /nfs/dbraw/zinc/50/99/38/998509938.db2.gz UJCAWQHSTFRDBH-OAHLLOKOSA-N -1 0 380.784 3.029 20 5 GGBDRM COC(=O)c1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC001598975790 998598675 /nfs/dbraw/zinc/59/86/75/998598675.db2.gz PJIVBPRGLVNRQZ-VMPITWQZSA-N -1 0 386.360 3.100 20 5 GGBDRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC001599275322 998601681 /nfs/dbraw/zinc/60/16/81/998601681.db2.gz HUDZMZSQMRGZDS-UHFFFAOYSA-N -1 0 388.376 3.155 20 5 GGBDRM COC(=O)c1ccc(Oc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC001598986024 998696769 /nfs/dbraw/zinc/69/67/69/998696769.db2.gz YMYJZASFHXNKLQ-UHFFFAOYSA-N -1 0 386.238 3.286 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC001598987272 998706124 /nfs/dbraw/zinc/70/61/24/998706124.db2.gz AEGOQHGXOFDVGD-UHFFFAOYSA-N -1 0 388.376 3.237 20 5 GGBDRM COC(=O)c1ccc2c(c1)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC001598989583 998724360 /nfs/dbraw/zinc/72/43/60/998724360.db2.gz DJGJYWDXMFSNRW-CYBMUJFWSA-N -1 0 385.376 3.007 20 5 GGBDRM COC(=O)c1ccc2c(c1)CCC[C@H]2OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598990764 998734625 /nfs/dbraw/zinc/73/46/25/998734625.db2.gz ZSTIMNFTRNLDJZ-QGZVFWFLSA-N -1 0 399.355 3.314 20 5 GGBDRM C[C@H]1C[C@H](C(C)(C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594215213 998828358 /nfs/dbraw/zinc/82/83/58/998828358.db2.gz QLPHDIOPKPUFQC-NWDGAFQWSA-N -1 0 384.454 3.128 20 5 GGBDRM CO[C@](C)(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)c1ccccc1F ZINC001599030359 999046282 /nfs/dbraw/zinc/04/62/82/999046282.db2.gz VGFHJWNCPBXMOG-SFHVURJKSA-N -1 0 376.340 3.241 20 5 GGBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001594278675 999079816 /nfs/dbraw/zinc/07/98/16/999079816.db2.gz UBZDTFDYMMZSCQ-RFHZTLPTSA-N -1 0 378.450 3.184 20 5 GGBDRM COC(C)(C)c1nc(C)c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001599035835 999082608 /nfs/dbraw/zinc/08/26/08/999082608.db2.gz RFEJSHIAWNJDSG-UHFFFAOYSA-N -1 0 379.394 3.192 20 5 GGBDRM C[C@@H]1C[C@@]2(CCO1)CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)C[C@H](C)O2 ZINC001594283297 999096868 /nfs/dbraw/zinc/09/68/68/999096868.db2.gz FHSJNITXVYBVJG-RLFDGXBXSA-N -1 0 384.816 3.109 20 5 GGBDRM C[C@H]1CC[C@@](NC(=O)CCOc2ccccc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594315040 999219928 /nfs/dbraw/zinc/21/99/28/999219928.db2.gz UYHREHUGKXGMSH-QKKBWIMNSA-N -1 0 398.415 3.357 20 5 GGBDRM C[C@@H]1CC[C@](NC(=O)CCOc2ccccc2[N+](=O)[O-])(C(=O)[O-])c2ccccc21 ZINC001594315041 999219977 /nfs/dbraw/zinc/21/99/77/999219977.db2.gz UYHREHUGKXGMSH-SPLOXXLWSA-N -1 0 398.415 3.357 20 5 GGBDRM 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388.760 3.195 20 5 GGBDRM Cc1cc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccn1 ZINC000174608819 565646653 /nfs/dbraw/zinc/64/66/53/565646653.db2.gz RRRVNEJTCQLWHS-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM Cc1cccnc1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000174608632 565647548 /nfs/dbraw/zinc/64/75/48/565647548.db2.gz WTLGQUMPFFCZHE-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)ccc1[O-] ZINC000174759558 565656309 /nfs/dbraw/zinc/65/63/09/565656309.db2.gz VAPTYMYRNSJSMI-UHFFFAOYSA-N -1 0 376.312 3.206 20 5 GGBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1Br ZINC000175101252 565679003 /nfs/dbraw/zinc/67/90/03/565679003.db2.gz OLCJCMRLMAMWFU-UHFFFAOYSA-N -1 0 390.190 3.001 20 5 GGBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410355196 565679156 /nfs/dbraw/zinc/67/91/56/565679156.db2.gz QFFCEHOAIWDSOE-UHFFFAOYSA-N -1 0 375.175 3.297 20 5 GGBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000410401685 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378.435 3.464 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc1[N+](=O)[O-] ZINC000545225628 567031618 /nfs/dbraw/zinc/03/16/18/567031618.db2.gz UIJUBSFCFRLSKF-UHFFFAOYSA-N -1 0 393.240 3.234 20 5 GGBDRM CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613455618 567039152 /nfs/dbraw/zinc/03/91/52/567039152.db2.gz PISXSFPBKQLFKU-UHFFFAOYSA-N -1 0 388.398 3.081 20 5 GGBDRM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000473628209 567093069 /nfs/dbraw/zinc/09/30/69/567093069.db2.gz VMZDWXAQVGJHNJ-SWLSCSKDSA-N -1 0 395.184 3.488 20 5 GGBDRM O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000473621238 567093770 /nfs/dbraw/zinc/09/37/70/567093770.db2.gz JPBXTVCGMGCGHP-GXFFZTMASA-N -1 0 395.184 3.488 20 5 GGBDRM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000546077059 567103575 /nfs/dbraw/zinc/10/35/75/567103575.db2.gz ARVGGENBVKGANG-YFKPBYRVSA-N -1 0 397.265 3.101 20 5 GGBDRM 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567226743 /nfs/dbraw/zinc/22/67/43/567226743.db2.gz ISOFEUGYEQSUEH-UHFFFAOYSA-N -1 0 386.813 3.462 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2oc(CO)cc2c1 ZINC000590597818 567233561 /nfs/dbraw/zinc/23/35/61/567233561.db2.gz ZRFIUVOPQQFRPZ-UHFFFAOYSA-N -1 0 382.781 3.288 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)c(Cl)c1 ZINC000590597798 567234079 /nfs/dbraw/zinc/23/40/79/567234079.db2.gz WSOBSIWTYNXSGF-UHFFFAOYSA-N -1 0 382.781 3.288 20 5 GGBDRM COc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1Cl ZINC000499296856 567237130 /nfs/dbraw/zinc/23/71/30/567237130.db2.gz UFKGQRGHROZUND-UHFFFAOYSA-N -1 0 386.813 3.096 20 5 GGBDRM CC1(C)CC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000548046318 567276462 /nfs/dbraw/zinc/27/64/62/567276462.db2.gz UGHPVBANFRNKKS-UHFFFAOYSA-N -1 0 377.260 3.072 20 5 GGBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000475823531 567280438 /nfs/dbraw/zinc/28/04/38/567280438.db2.gz DESRLQYPMHNFLE-UHFFFAOYSA-N -1 0 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C[C@H](NC(=O)c1ccc(NC2CC(c3ccccc3)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657121 599873141 /nfs/dbraw/zinc/87/31/41/599873141.db2.gz OSQAFAFNELMDCV-JQRITLKVSA-N -1 0 383.404 3.156 20 5 GGBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000739329924 599873584 /nfs/dbraw/zinc/87/35/84/599873584.db2.gz VGEHXDPBPIRSMR-UHFFFAOYSA-N -1 0 386.385 3.203 20 5 GGBDRM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737492849 599882812 /nfs/dbraw/zinc/88/28/12/599882812.db2.gz WHUPCIZCXBYKDM-UHFFFAOYSA-N -1 0 383.404 3.165 20 5 GGBDRM O=C([O-])C=Cc1ccc(NCc2nnc(-c3ccc(F)cc3)[nH]2)c([N+](=O)[O-])c1 ZINC000739622230 599894257 /nfs/dbraw/zinc/89/42/57/599894257.db2.gz ABGONVFTNQZDGC-KRXBUXKQSA-N -1 0 383.339 3.229 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1SC ZINC000737903472 599899102 /nfs/dbraw/zinc/89/91/02/599899102.db2.gz WIDUOCZGLHWYCF-ZDUSSCGKSA-N -1 0 390.417 3.271 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2C(=O)[O-])cc1SC ZINC000737902562 599899171 /nfs/dbraw/zinc/89/91/71/599899171.db2.gz PCHMMFIBQSZYEP-UHFFFAOYSA-N -1 0 376.390 3.300 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1SC ZINC000737902055 599900768 /nfs/dbraw/zinc/90/07/68/599900768.db2.gz IHEYVCHDNONSDE-SNVBAGLBSA-N -1 0 396.446 3.333 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1SC ZINC000532256262 599903876 /nfs/dbraw/zinc/90/38/76/599903876.db2.gz PJTUZHUFGONYJW-UHFFFAOYSA-N -1 0 392.389 3.041 20 5 GGBDRM O=C([O-])c1cc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000738672127 599914320 /nfs/dbraw/zinc/91/43/20/599914320.db2.gz FAGPDFMOODKPNG-UHFFFAOYSA-N -1 0 386.751 3.384 20 5 GGBDRM C[C@@H](CN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1)C(=O)[O-] ZINC000237476541 599916148 /nfs/dbraw/zinc/91/61/48/599916148.db2.gz QALOMVZZSOFTDA-JTQLQIEISA-N -1 0 375.406 3.044 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000485796808 599922389 /nfs/dbraw/zinc/92/23/89/599922389.db2.gz PITLLORWHDWNPN-UHFFFAOYSA-N -1 0 376.390 3.174 20 5 GGBDRM C[C@@H](CN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000543710662 599922733 /nfs/dbraw/zinc/92/27/33/599922733.db2.gz KDISOPCLPDCKIF-KBPBESRZSA-N -1 0 389.452 3.156 20 5 GGBDRM O=C([O-])CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000739871919 599922835 /nfs/dbraw/zinc/92/28/35/599922835.db2.gz SXJWYOGLJXMFSU-UHFFFAOYSA-N -1 0 391.361 3.073 20 5 GGBDRM C[C@@H](CN(C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000543710663 599923150 /nfs/dbraw/zinc/92/31/50/599923150.db2.gz KDISOPCLPDCKIF-KGLIPLIRSA-N -1 0 389.452 3.156 20 5 GGBDRM C[C@H](CN(C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000543710664 599923154 /nfs/dbraw/zinc/92/31/54/599923154.db2.gz KDISOPCLPDCKIF-UONOGXRCSA-N -1 0 389.452 3.156 20 5 GGBDRM Cc1ccc(C[C@H](C)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000738589026 599923987 /nfs/dbraw/zinc/92/39/87/599923987.db2.gz LCUXHAIDOIZGAL-GJZGRUSLSA-N -1 0 399.447 3.458 20 5 GGBDRM Cc1ccc(C[C@H](C)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000738589028 599924250 /nfs/dbraw/zinc/92/42/50/599924250.db2.gz LCUXHAIDOIZGAL-LSDHHAIUSA-N -1 0 399.447 3.458 20 5 GGBDRM Cc1ccc(S(=O)(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000738655352 599927003 /nfs/dbraw/zinc/92/70/03/599927003.db2.gz RKHPZGYSXVQITM-UHFFFAOYSA-N -1 0 396.446 3.022 20 5 GGBDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000485691672 599928158 /nfs/dbraw/zinc/92/81/58/599928158.db2.gz IRZGXGZCAIOKSH-UHFFFAOYSA-N -1 0 387.779 3.457 20 5 GGBDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000566179007 599935120 /nfs/dbraw/zinc/93/51/20/599935120.db2.gz KRNNUBGGMCKRCQ-UHFFFAOYSA-N -1 0 392.433 3.201 20 5 GGBDRM Cc1c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738259695 599938294 /nfs/dbraw/zinc/93/82/94/599938294.db2.gz MRKRGPMEKBDSTM-HNNXBMFYSA-N -1 0 387.348 3.147 20 5 GGBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000738305983 599938296 /nfs/dbraw/zinc/93/82/96/599938296.db2.gz UXUGWNNZZNHPHV-AWEZNQCLSA-N -1 0 387.348 3.147 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736702783 599946651 /nfs/dbraw/zinc/94/66/51/599946651.db2.gz GBIQFMAOEPVQFV-QMMMGPOBSA-N -1 0 380.740 3.058 20 5 GGBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000486186355 599947694 /nfs/dbraw/zinc/94/76/94/599947694.db2.gz MFENDRNYMAICGJ-LBPRGKRZSA-N -1 0 392.408 3.129 20 5 GGBDRM O=C([O-])c1cccc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1O ZINC000739484423 599948291 /nfs/dbraw/zinc/94/82/91/599948291.db2.gz RVHMTPJIXGCCJH-UHFFFAOYSA-N -1 0 385.357 3.374 20 5 GGBDRM O=C([O-])c1cccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1O ZINC000739483383 599949206 /nfs/dbraw/zinc/94/92/06/599949206.db2.gz FOVPPBMDXDZOQZ-UHFFFAOYSA-N -1 0 385.357 3.374 20 5 GGBDRM CSc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000539570938 599950544 /nfs/dbraw/zinc/95/05/44/599950544.db2.gz ZFDLJDJWOSFUNU-CYBMUJFWSA-N -1 0 392.408 3.129 20 5 GGBDRM Cc1ccc(C(C)(C)CNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000738550822 599958762 /nfs/dbraw/zinc/95/87/62/599958762.db2.gz JBCJOBJSJDGCEF-AWEZNQCLSA-N -1 0 399.447 3.496 20 5 GGBDRM C[C@@H](Cn1cccn1)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000736629893 599967530 /nfs/dbraw/zinc/96/75/30/599967530.db2.gz RFONDAMQNKVYDH-ZDUSSCGKSA-N -1 0 394.387 3.221 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1C ZINC000548535925 599980766 /nfs/dbraw/zinc/98/07/66/599980766.db2.gz AKWUDJOUTJZQNA-INIZCTEOSA-N -1 0 392.433 3.096 20 5 GGBDRM O=C([O-])CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000739666262 599981329 /nfs/dbraw/zinc/98/13/29/599981329.db2.gz KOQXIGQFLARBMY-CYBMUJFWSA-N -1 0 398.824 3.133 20 5 GGBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268921436 599986780 /nfs/dbraw/zinc/98/67/80/599986780.db2.gz BMLDKXFISRICNB-UHFFFAOYSA-N -1 0 399.403 3.219 20 5 GGBDRM CCn1c(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc2c1cccc2F ZINC000737295125 599993987 /nfs/dbraw/zinc/99/39/87/599993987.db2.gz CREONVFNRMSGTE-UHFFFAOYSA-N -1 0 387.323 3.159 20 5 GGBDRM Cc1ccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000738625669 599994028 /nfs/dbraw/zinc/99/40/28/599994028.db2.gz VBMOZDHODSVCOE-ZDUSSCGKSA-N -1 0 375.356 3.107 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000739407307 599994324 /nfs/dbraw/zinc/99/43/24/599994324.db2.gz HMVVHBGOGKPWBN-LLVKDONJSA-N -1 0 395.774 3.452 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1SC ZINC000737906104 599996255 /nfs/dbraw/zinc/99/62/55/599996255.db2.gz VVOAMAIKWGFQIA-HNNXBMFYSA-N -1 0 377.374 3.308 20 5 GGBDRM O=C([O-])c1cc(C(=O)Nc2nc(-c3ccsc3)ns2)cc([N+](=O)[O-])c1 ZINC000738673637 599998054 /nfs/dbraw/zinc/99/80/54/599998054.db2.gz TVVIMRCMAZBPOC-UHFFFAOYSA-N -1 0 376.375 3.125 20 5 GGBDRM Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000738300940 599999844 /nfs/dbraw/zinc/99/98/44/599999844.db2.gz YOOYHVLORKVCBW-NSHDSACASA-N -1 0 387.348 3.177 20 5 GGBDRM O=C([O-])Nc1cccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000740037856 600002475 /nfs/dbraw/zinc/00/24/75/600002475.db2.gz XYFBEOLCBYZFSY-UHFFFAOYSA-N -1 0 393.739 3.134 20 5 GGBDRM O=C([O-])CSCc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000739871117 600020370 /nfs/dbraw/zinc/02/03/70/600020370.db2.gz IWPSRLRDWMQQHA-UHFFFAOYSA-N -1 0 389.433 3.277 20 5 GGBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)C2 ZINC000598670532 600041976 /nfs/dbraw/zinc/04/19/76/600041976.db2.gz WPLAWRCODRLPRR-UHFFFAOYSA-N -1 0 381.388 3.049 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccc(OCc3ccccc3)cc2)c1=O 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/nfs/dbraw/zinc/07/00/18/600070018.db2.gz NLAJEMYWNWDTQF-CQSZACIVSA-N -1 0 388.445 3.298 20 5 GGBDRM CC(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C(=O)[O-])c1 ZINC000736514816 600078247 /nfs/dbraw/zinc/07/82/47/600078247.db2.gz BSBJAVVPTVYOPQ-UHFFFAOYSA-N -1 0 386.360 3.440 20 5 GGBDRM CNC(=O)c1ccc(Nc2cccc(CSCCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000737546946 600079812 /nfs/dbraw/zinc/07/98/12/600079812.db2.gz OOXDHKVLNVWSJC-UHFFFAOYSA-N -1 0 389.433 3.406 20 5 GGBDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000737171303 600085173 /nfs/dbraw/zinc/08/51/73/600085173.db2.gz TTZWUJXVHSVGCM-UHFFFAOYSA-N -1 0 396.783 3.218 20 5 GGBDRM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736727186 600086406 /nfs/dbraw/zinc/08/64/06/600086406.db2.gz DPSLQVUHBOSDFY-NSHDSACASA-N -1 0 380.360 3.420 20 5 GGBDRM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736727182 600086681 /nfs/dbraw/zinc/08/66/81/600086681.db2.gz DPSLQVUHBOSDFY-LLVKDONJSA-N -1 0 380.360 3.420 20 5 GGBDRM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000738279174 600093307 /nfs/dbraw/zinc/09/33/07/600093307.db2.gz DFHBKXQQKLGHIW-LBPRGKRZSA-N -1 0 386.360 3.094 20 5 GGBDRM O=C([O-])c1ccc(CCC(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000739260499 600093979 /nfs/dbraw/zinc/09/39/79/600093979.db2.gz JXHQNCQUOCNTJW-UHFFFAOYSA-N -1 0 397.343 3.019 20 5 GGBDRM Cc1ccc(OS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000738648990 600107502 /nfs/dbraw/zinc/10/75/02/600107502.db2.gz IDRPYIDLDVIKLW-UHFFFAOYSA-N -1 0 385.781 3.331 20 5 GGBDRM O=C([O-])c1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc([N+](=O)[O-])c1 ZINC000738668450 600108665 /nfs/dbraw/zinc/10/86/65/600108665.db2.gz APZYOCNNLPIYRO-UHFFFAOYSA-N -1 0 395.375 3.395 20 5 GGBDRM Cn1cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000739025338 600115886 /nfs/dbraw/zinc/11/58/86/600115886.db2.gz DKAPUJYEWRZJIQ-UHFFFAOYSA-N -1 0 399.334 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O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000531740836 600847612 /nfs/dbraw/zinc/84/76/12/600847612.db2.gz AHIRMEPONAGAAD-ZDUSSCGKSA-N -1 0 382.294 3.039 20 5 GGBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000738305993 600850736 /nfs/dbraw/zinc/85/07/36/600850736.db2.gz VDRITWUHHPDLAU-GFCCVEGCSA-N -1 0 385.332 3.030 20 5 GGBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000738305995 600850780 /nfs/dbraw/zinc/85/07/80/600850780.db2.gz VDRITWUHHPDLAU-LBPRGKRZSA-N -1 0 385.332 3.030 20 5 GGBDRM Cc1oc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000262400923 600851214 /nfs/dbraw/zinc/85/12/14/600851214.db2.gz AEFDNRAZNBKULH-UHFFFAOYSA-N -1 0 386.282 3.485 20 5 GGBDRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000739647877 600853574 /nfs/dbraw/zinc/85/35/74/600853574.db2.gz XCBSKJZSANVLIT-HNNXBMFYSA-N -1 0 395.415 3.414 20 5 GGBDRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000739647882 600853609 /nfs/dbraw/zinc/85/36/09/600853609.db2.gz XCBSKJZSANVLIT-OAHLLOKOSA-N -1 0 395.415 3.414 20 5 GGBDRM Cc1c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738258342 600857010 /nfs/dbraw/zinc/85/70/10/600857010.db2.gz GOVVMCNNSXOPMA-NSHDSACASA-N -1 0 385.332 3.030 20 5 GGBDRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000737281501 600864186 /nfs/dbraw/zinc/86/41/86/600864186.db2.gz JVECYKZGBWCJJK-SNVBAGLBSA-N -1 0 377.422 3.454 20 5 GGBDRM O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1F ZINC000739459883 600868478 /nfs/dbraw/zinc/86/84/78/600868478.db2.gz RUOVMNCDBFASBW-UHFFFAOYSA-N -1 0 383.129 3.447 20 5 GGBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000262449218 600869513 /nfs/dbraw/zinc/86/95/13/600869513.db2.gz WCGZIOFXEOCMGU-UHFFFAOYSA-N -1 0 387.392 3.155 20 5 GGBDRM O=C([O-])c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Br)cc1F ZINC000739345711 600869685 /nfs/dbraw/zinc/86/96/85/600869685.db2.gz NSSPWMQWPDIVTJ-UHFFFAOYSA-N -1 0 397.156 3.376 20 5 GGBDRM CCOC(=O)c1cc(F)c(F)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737154510 600872766 /nfs/dbraw/zinc/87/27/66/600872766.db2.gz XQZKJTGZUVYVDR-UHFFFAOYSA-N -1 0 394.286 3.000 20 5 GGBDRM COc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000262433507 600879294 /nfs/dbraw/zinc/87/92/94/600879294.db2.gz FFGXWJFYEZYAEM-UHFFFAOYSA-N -1 0 388.376 3.227 20 5 GGBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000736228007 600879935 /nfs/dbraw/zinc/87/99/35/600879935.db2.gz AZNKJVYGLKKJJJ-UHFFFAOYSA-N -1 0 376.340 3.114 20 5 GGBDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000486285321 600883125 /nfs/dbraw/zinc/88/31/25/600883125.db2.gz QMRBJPRMBRCGKW-UHFFFAOYSA-N -1 0 394.387 3.395 20 5 GGBDRM 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397.309 3.125 20 5 GGBDRM O=C([O-])C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000739653644 600960698 /nfs/dbraw/zinc/96/06/98/600960698.db2.gz MOYUSAUXCVVHCI-NSHDSACASA-N -1 0 389.795 3.265 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833182149 600970028 /nfs/dbraw/zinc/97/00/28/600970028.db2.gz VDJJMINWMAXKGX-BHYNMZESSA-N -1 0 386.326 3.472 20 5 GGBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000833182150 600970031 /nfs/dbraw/zinc/97/00/31/600970031.db2.gz VDJJMINWMAXKGX-IUPBHXKESA-N -1 0 386.326 3.472 20 5 GGBDRM Cc1ccccc1-c1cc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n(C)n1 ZINC000832974066 600981992 /nfs/dbraw/zinc/98/19/92/600981992.db2.gz KNLAHOLNDDMXJM-UHFFFAOYSA-N -1 0 380.360 3.254 20 5 GGBDRM Cn1cc(Nc2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)cn1 ZINC000833053577 601001672 /nfs/dbraw/zinc/00/16/72/601001672.db2.gz YEFXRCIEHBHZOM-UHFFFAOYSA-N -1 0 381.348 3.022 20 5 GGBDRM 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O=C([O-])c1cnc(N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C2CC2)s1 ZINC000740258559 601039612 /nfs/dbraw/zinc/03/96/12/601039612.db2.gz FFSSLSSQLPOYHD-UHFFFAOYSA-N -1 0 381.797 3.141 20 5 GGBDRM O=C([O-])c1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000833143800 601049408 /nfs/dbraw/zinc/04/94/08/601049408.db2.gz YSRZSVVTYYFWMJ-UHFFFAOYSA-N -1 0 395.318 3.259 20 5 GGBDRM CNc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000831047490 601058199 /nfs/dbraw/zinc/05/81/99/601058199.db2.gz ZOAOWKUSKPSLEK-UHFFFAOYSA-N -1 0 394.767 3.224 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC000486407802 601061794 /nfs/dbraw/zinc/06/17/94/601061794.db2.gz MYRHSJZIXQLDSD-SFHVURJKSA-N -1 0 392.411 3.350 20 5 GGBDRM Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000833090621 601062897 /nfs/dbraw/zinc/06/28/97/601062897.db2.gz QNCPWHGVENAMQA-ZDUSSCGKSA-N -1 0 385.159 3.467 20 5 GGBDRM Cc1cccc(C2(O)CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)c1C ZINC000738307713 601066011 /nfs/dbraw/zinc/06/60/11/601066011.db2.gz DKLPEHJCXWLCRQ-UHFFFAOYSA-N -1 0 398.415 3.034 20 5 GGBDRM CCOc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000830038594 601068600 /nfs/dbraw/zinc/06/86/00/601068600.db2.gz PTACUHHUNCRLHI-INIZCTEOSA-N -1 0 393.323 3.124 20 5 GGBDRM CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000830049544 601069534 /nfs/dbraw/zinc/06/95/34/601069534.db2.gz GKWIZJSSJSMHJH-INIZCTEOSA-N -1 0 393.323 3.124 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000739252100 601070836 /nfs/dbraw/zinc/07/08/36/601070836.db2.gz VMFMUDXXAHSEAE-CQSZACIVSA-N -1 0 392.795 3.002 20 5 GGBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000830643886 601076320 /nfs/dbraw/zinc/07/63/20/601076320.db2.gz PTAHPUDYUYFGPQ-UHFFFAOYSA-N -1 0 392.437 3.365 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000736702961 601077476 /nfs/dbraw/zinc/07/74/76/601077476.db2.gz IAXFULFIQZQJLB-SMDDNHRTSA-N -1 0 392.795 3.000 20 5 GGBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833091024 601078058 /nfs/dbraw/zinc/07/80/58/601078058.db2.gz HMXUTRIRKOQVJN-ZDUSSCGKSA-N -1 0 385.159 3.467 20 5 GGBDRM CCOc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830059543 601081418 /nfs/dbraw/zinc/08/14/18/601081418.db2.gz DLVIZTRVPSGJMX-DOTOQJQBSA-N -1 0 390.436 3.489 20 5 GGBDRM COc1ccc(CC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598661281 601081786 /nfs/dbraw/zinc/08/17/86/601081786.db2.gz IGPBPRCSLMSFON-DOTOQJQBSA-N -1 0 390.436 3.028 20 5 GGBDRM COc1ccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832336150 601092474 /nfs/dbraw/zinc/09/24/74/601092474.db2.gz LWJXNICGOKMVCU-UHFFFAOYSA-N -1 0 387.392 3.287 20 5 GGBDRM CCO[C@@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C12CCCCC2 ZINC000531748336 601094008 /nfs/dbraw/zinc/09/40/08/601094008.db2.gz GISXQNIEAFWDGP-JKSUJKDBSA-N -1 0 376.409 3.151 20 5 GGBDRM COc1ccc(C2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000450525046 601095649 /nfs/dbraw/zinc/09/56/49/601095649.db2.gz AANFHSKCKNPTEC-UHFFFAOYSA-N -1 0 384.388 3.321 20 5 GGBDRM O=C([O-])c1ccc(OCCOC(=O)c2cc([N+](=O)[O-])ccc2F)c(Cl)c1 ZINC000833322674 601109701 /nfs/dbraw/zinc/10/97/01/601109701.db2.gz QPYLFCWCCYABBM-UHFFFAOYSA-N -1 0 383.715 3.321 20 5 GGBDRM Cn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833041989 601117321 /nfs/dbraw/zinc/11/73/21/601117321.db2.gz JHYUQVGZEKSTJJ-QGZVFWFLSA-N -1 0 399.334 3.117 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827909149 601145391 /nfs/dbraw/zinc/14/53/91/601145391.db2.gz SXWQTWIMOIHYDF-LLVKDONJSA-N -1 0 378.381 3.332 20 5 GGBDRM CC[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000485734383 601147942 /nfs/dbraw/zinc/14/79/42/601147942.db2.gz VOHRWIZLSUPJOO-AWEZNQCLSA-N -1 0 376.340 3.020 20 5 GGBDRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000776600684 601148829 /nfs/dbraw/zinc/14/88/29/601148829.db2.gz DPJZOFUXCLHPFC-UHFFFAOYSA-N -1 0 391.177 3.258 20 5 GGBDRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833298907 601150682 /nfs/dbraw/zinc/15/06/82/601150682.db2.gz HXYNCTIEPAWZFD-UHFFFAOYSA-N -1 0 383.129 3.447 20 5 GGBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833181390 601150869 /nfs/dbraw/zinc/15/08/69/601150869.db2.gz NXGLIFMNHCFSOF-IUPBHXKESA-N -1 0 397.225 3.215 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833181394 601150882 /nfs/dbraw/zinc/15/08/82/601150882.db2.gz NXGLIFMNHCFSOF-WFBYXXMGSA-N -1 0 397.225 3.215 20 5 GGBDRM O=C([O-])CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccc(F)c1 ZINC000833245280 601153354 /nfs/dbraw/zinc/15/33/54/601153354.db2.gz AKDTYMPUPAWPED-UHFFFAOYSA-N -1 0 397.156 3.228 20 5 GGBDRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000833324380 601154642 /nfs/dbraw/zinc/15/46/42/601154642.db2.gz BMVIPIXYFIKEBJ-UHFFFAOYSA-N -1 0 391.177 3.212 20 5 GGBDRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833159669 601154804 /nfs/dbraw/zinc/15/48/04/601154804.db2.gz ZCZWKTVENIRCFP-UHFFFAOYSA-N -1 0 383.129 3.447 20 5 GGBDRM CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000830522947 601158904 /nfs/dbraw/zinc/15/89/04/601158904.db2.gz DVZWDQUPGVZAHD-AWEZNQCLSA-N -1 0 393.193 3.255 20 5 GGBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000833189590 601159205 /nfs/dbraw/zinc/15/92/05/601159205.db2.gz TVKRSBMTVQRKTP-VHSXEESVSA-N -1 0 386.198 3.292 20 5 GGBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832855809 601170395 /nfs/dbraw/zinc/17/03/95/601170395.db2.gz DUXAQWSAEWWGAK-BZNIZROVSA-N -1 0 387.348 3.003 20 5 GGBDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000827826067 601179381 /nfs/dbraw/zinc/17/93/81/601179381.db2.gz KAQYHUMHJGAACH-GARJFASQSA-N -1 0 398.799 3.009 20 5 GGBDRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000827826065 601179439 /nfs/dbraw/zinc/17/94/39/601179439.db2.gz KAQYHUMHJGAACH-AXFHLTTASA-N -1 0 398.799 3.009 20 5 GGBDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000827817099 601184559 /nfs/dbraw/zinc/18/45/59/601184559.db2.gz HYYLXNBZAXOCCB-GARJFASQSA-N -1 0 398.799 3.009 20 5 GGBDRM O=C([O-])CC1(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCCCC1 ZINC000532593195 601185294 /nfs/dbraw/zinc/18/52/94/601185294.db2.gz ONTFTBZVQKUIKD-UHFFFAOYSA-N -1 0 375.425 3.102 20 5 GGBDRM O=C([O-])CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCC1 ZINC000583601559 601186434 /nfs/dbraw/zinc/18/64/34/601186434.db2.gz CGKXHYLQICINAR-UHFFFAOYSA-N -1 0 392.455 3.449 20 5 GGBDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000827826750 601188759 /nfs/dbraw/zinc/18/87/59/601188759.db2.gz ONCFVZPSIUXQAS-WCFLWFBJSA-N -1 0 389.364 3.140 20 5 GGBDRM O=C([O-])[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000833349423 601195499 /nfs/dbraw/zinc/19/54/99/601195499.db2.gz DINVPEHCLMXNTQ-CYBMUJFWSA-N -1 0 380.150 3.340 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000826055259 601203141 /nfs/dbraw/zinc/20/31/41/601203141.db2.gz XPWQHNSVGINDPT-PXAZEXFGSA-N -1 0 382.376 3.196 20 5 GGBDRM CCS[C@@H]1CCC[C@H](Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830158579 601209028 /nfs/dbraw/zinc/20/90/28/601209028.db2.gz YIYVOPBVFDFCES-FPMFFAJLSA-N -1 0 395.481 3.274 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703565 601209046 /nfs/dbraw/zinc/20/90/46/601209046.db2.gz OVGKMQRKIYDCCR-BBRMVZONSA-N -1 0 389.452 3.347 20 5 GGBDRM Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C(=O)[O-])cc1 ZINC000832923052 601225707 /nfs/dbraw/zinc/22/57/07/601225707.db2.gz GKBLGCWMOXTQRO-GFCCVEGCSA-N -1 0 380.198 3.341 20 5 GGBDRM Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Br)C(=O)[O-])cc1 ZINC000832923053 601225732 /nfs/dbraw/zinc/22/57/32/601225732.db2.gz GKBLGCWMOXTQRO-LBPRGKRZSA-N -1 0 380.198 3.341 20 5 GGBDRM O=C([O-])Cc1cccc(OC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000833268278 601239873 /nfs/dbraw/zinc/23/98/73/601239873.db2.gz CVUCYWHVKPHLDB-UHFFFAOYSA-N -1 0 380.150 3.204 20 5 GGBDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC000832865650 601242994 /nfs/dbraw/zinc/24/29/94/601242994.db2.gz JFENNKOOXAEPON-UHFFFAOYSA-N -1 0 390.417 3.051 20 5 GGBDRM C[C@@H](NC(=O)c1ccc(N(C)[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827696208 601247132 /nfs/dbraw/zinc/24/71/32/601247132.db2.gz ZZMUCPOQPKVZJR-NEPJUHHUSA-N -1 0 389.383 3.134 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N(C)[C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827694886 601249341 /nfs/dbraw/zinc/24/93/41/601249341.db2.gz KJHAWXRYFPNZAH-RYUDHWBXSA-N -1 0 389.383 3.134 20 5 GGBDRM Cc1ccccc1[C@H]1CCCN1c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000832977498 601250469 /nfs/dbraw/zinc/25/04/69/601250469.db2.gz LOULGYRBVGVMHB-WMLDXEAASA-N -1 0 397.431 3.448 20 5 GGBDRM CN(C[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830718352 601250722 /nfs/dbraw/zinc/25/07/22/601250722.db2.gz QDXMAMJLBNQMKF-AWEZNQCLSA-N -1 0 384.388 3.139 20 5 GGBDRM Cn1c(CCCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 ZINC000833038807 601254240 /nfs/dbraw/zinc/25/42/40/601254240.db2.gz PJMLIEWWWIPNLD-UHFFFAOYSA-N -1 0 399.363 3.133 20 5 GGBDRM C[C@H](NC(=O)c1ccc(N2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827703912 601255295 /nfs/dbraw/zinc/25/52/95/601255295.db2.gz UKOWIQBZLOWUMF-ZQIUZPCESA-N -1 0 397.431 3.180 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832874110 601263004 /nfs/dbraw/zinc/26/30/04/601263004.db2.gz HHQANBYHHROPDF-LBPRGKRZSA-N -1 0 375.406 3.189 20 5 GGBDRM O=C([O-])c1cc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000833300902 601264948 /nfs/dbraw/zinc/26/49/48/601264948.db2.gz SYEFLUYGISOLHS-HNNXBMFYSA-N -1 0 375.768 3.164 20 5 GGBDRM O=C([O-])c1cc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000833300905 601264956 /nfs/dbraw/zinc/26/49/56/601264956.db2.gz SYEFLUYGISOLHS-OAHLLOKOSA-N -1 0 375.768 3.164 20 5 GGBDRM CC[C@@H](NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828994204 601269335 /nfs/dbraw/zinc/26/93/35/601269335.db2.gz KLTNZZGRQMSWOO-SDMNGIDPSA-N -1 0 390.417 3.122 20 5 GGBDRM CC[C@H](NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828994203 601269376 /nfs/dbraw/zinc/26/93/76/601269376.db2.gz KLTNZZGRQMSWOO-NLZINVLXSA-N -1 0 390.417 3.122 20 5 GGBDRM 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ZINC000833300298 601786978 /nfs/dbraw/zinc/78/69/78/601786978.db2.gz BLJQFTPRFVIDNR-UHFFFAOYSA-N -1 0 392.165 3.282 20 5 GGBDRM O=C([O-])c1cccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC000833329162 601804429 /nfs/dbraw/zinc/80/44/29/601804429.db2.gz FEVSKWCPCHKECH-UHFFFAOYSA-N -1 0 387.369 3.355 20 5 GGBDRM O=C([O-])c1ccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1 ZINC000833317658 601804491 /nfs/dbraw/zinc/80/44/91/601804491.db2.gz XYHOXRNJJSTZLB-UHFFFAOYSA-N -1 0 387.369 3.355 20 5 GGBDRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738516683 601808758 /nfs/dbraw/zinc/80/87/58/601808758.db2.gz IAGGFROCOPMPTQ-UHFFFAOYSA-N -1 0 399.388 3.065 20 5 GGBDRM O=C([O-])CCc1nc(CSc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000833242591 601810711 /nfs/dbraw/zinc/81/07/11/601810711.db2.gz UDFUVSPEGHVMQZ-UHFFFAOYSA-N -1 0 388.199 3.050 20 5 GGBDRM O=C([O-])CCC1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000539684280 601816062 /nfs/dbraw/zinc/81/60/62/601816062.db2.gz 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O=C([O-])c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl ZINC000833306626 601837499 /nfs/dbraw/zinc/83/74/99/601837499.db2.gz AFEXEFZVZYWALP-UHFFFAOYSA-N -1 0 392.172 3.368 20 5 GGBDRM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCC(=O)[O-])CC1 ZINC000826020782 601844073 /nfs/dbraw/zinc/84/40/73/601844073.db2.gz ITWDNPKCZHODBJ-NSHDSACASA-N -1 0 383.832 3.152 20 5 GGBDRM O=C([O-])CSc1ccc(OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000833264283 601871594 /nfs/dbraw/zinc/87/15/94/601871594.db2.gz KPESWTBNAAITCG-UHFFFAOYSA-N -1 0 399.384 3.176 20 5 GGBDRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc([N+](=O)[O-])c1 ZINC000833296280 601875064 /nfs/dbraw/zinc/87/50/64/601875064.db2.gz ZUXLJJYLDOFRTR-UHFFFAOYSA-N -1 0 398.415 3.241 20 5 GGBDRM CCOc1cc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000830038673 601903571 /nfs/dbraw/zinc/90/35/71/601903571.db2.gz RCKXTTJLGLBXGW-GXTWGEPZSA-N -1 0 394.424 3.156 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832481765 601903806 /nfs/dbraw/zinc/90/38/06/601903806.db2.gz PVHIHAWWAIFWJK-INIZCTEOSA-N -1 0 384.310 3.278 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832481766 601903812 /nfs/dbraw/zinc/90/38/12/601903812.db2.gz PVHIHAWWAIFWJK-MRXNPFEDSA-N -1 0 384.310 3.278 20 5 GGBDRM Cc1c(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832849674 601911570 /nfs/dbraw/zinc/91/15/70/601911570.db2.gz OFNAHSVSDDRVNP-OCCSQVGLSA-N -1 0 393.396 3.273 20 5 GGBDRM O=C([O-])c1cccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000611441338 601924100 /nfs/dbraw/zinc/92/41/00/601924100.db2.gz UCVDPQGUSUAWJM-UHFFFAOYSA-N -1 0 378.768 3.032 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000611441468 601928476 /nfs/dbraw/zinc/92/84/76/601928476.db2.gz WHOGUWJAEYNFLR-JTQLQIEISA-N -1 0 378.768 3.030 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc(SCC(=O)[O-])cc2)c1C ZINC000832905482 601986808 /nfs/dbraw/zinc/98/68/08/601986808.db2.gz ONKPKAGBIQFTBT-UHFFFAOYSA-N -1 0 397.430 3.156 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832905153 601986927 /nfs/dbraw/zinc/98/69/27/601986927.db2.gz FJPPXJRYGRBKLI-UHFFFAOYSA-N -1 0 397.430 3.156 20 5 GGBDRM O=C([O-])c1ccc(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 ZINC000833352713 601999164 /nfs/dbraw/zinc/99/91/64/601999164.db2.gz HRRDNOSRDWIEKD-UHFFFAOYSA-N -1 0 376.390 3.312 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000832958359 602008789 /nfs/dbraw/zinc/00/87/89/602008789.db2.gz YBOVMKGWXAHPNN-OAHLLOKOSA-N -1 0 382.294 3.218 20 5 GGBDRM CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830466335 602018786 /nfs/dbraw/zinc/01/87/86/602018786.db2.gz YMFNKGLDWPVBEE-BBOMDTFKSA-N -1 0 394.305 3.310 20 5 GGBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000237657706 602032499 /nfs/dbraw/zinc/03/24/99/602032499.db2.gz LVJLUEDYQRIFMS-HXUWFJFHSA-N -1 0 383.404 3.144 20 5 GGBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000827991366 602034696 /nfs/dbraw/zinc/03/46/96/602034696.db2.gz FPZDRVJTIWVISH-CQSZACIVSA-N -1 0 392.355 3.029 20 5 GGBDRM COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1SC ZINC000610891397 602066386 /nfs/dbraw/zinc/06/63/86/602066386.db2.gz YWEAENGMUDWKIQ-UHFFFAOYSA-N -1 0 376.390 3.205 20 5 GGBDRM CO[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000831518611 602075960 /nfs/dbraw/zinc/07/59/60/602075960.db2.gz AVNOIQZCZINUAV-OAHLLOKOSA-N -1 0 378.768 3.064 20 5 GGBDRM O=C([O-])Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 ZINC000769494098 602078888 /nfs/dbraw/zinc/07/88/88/602078888.db2.gz YVDQZYRBAQXQAN-UHFFFAOYSA-N -1 0 397.156 3.376 20 5 GGBDRM 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COc1cc(C(=O)N[C@H](C)C(=O)[O-])ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000485875971 602244111 /nfs/dbraw/zinc/24/41/11/602244111.db2.gz QHIRLDSSTQCCIN-SECBINFHSA-N -1 0 394.767 3.252 20 5 GGBDRM CC(C)N(C)C(=O)C1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000826930182 602251156 /nfs/dbraw/zinc/25/11/56/602251156.db2.gz GWARPFOTHIDAFX-UHFFFAOYSA-N -1 0 383.832 3.030 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000833306568 602251926 /nfs/dbraw/zinc/25/19/26/602251926.db2.gz BZULRHMNISPXPU-NSHDSACASA-N -1 0 382.775 3.349 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000833306567 602252133 /nfs/dbraw/zinc/25/21/33/602252133.db2.gz BZULRHMNISPXPU-LLVKDONJSA-N -1 0 382.775 3.349 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2cccc(C(=O)NC3CC3)c2)cc1Cl ZINC000833129516 602252148 /nfs/dbraw/zinc/25/21/48/602252148.db2.gz MQEGDOGCKIUCTL-UHFFFAOYSA-N -1 0 389.795 3.451 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC[C@@H](OCC(F)(F)F)C2)cc1Cl ZINC000833307620 602252477 /nfs/dbraw/zinc/25/24/77/602252477.db2.gz PGFQYDZYGSUIAK-MRVPVSSYSA-N -1 0 382.722 3.494 20 5 GGBDRM CCCCNC(=O)[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829396058 602253033 /nfs/dbraw/zinc/25/30/33/602253033.db2.gz LDVPDOIIAAEGAA-NSHDSACASA-N -1 0 383.832 3.079 20 5 GGBDRM CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829217092 602253254 /nfs/dbraw/zinc/25/32/54/602253254.db2.gz YYAZRVUMLWXPDS-NEPJUHHUSA-N -1 0 397.859 3.468 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2N2CCOCC2)cc1Cl ZINC000833306728 602253627 /nfs/dbraw/zinc/25/36/27/602253627.db2.gz FZZGLWKZTAJVGL-UHFFFAOYSA-N -1 0 391.811 3.395 20 5 GGBDRM Cc1cccc(C(=O)NCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000832962836 602253647 /nfs/dbraw/zinc/25/36/47/602253647.db2.gz ATRZKIIHPGRONK-UHFFFAOYSA-N -1 0 377.784 3.097 20 5 GGBDRM O=C([O-])COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000486042662 602263557 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O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OC2CCCC2)cc1 ZINC000823625192 1428609914 /nfs/dbraw/zinc/60/99/14/1428609914.db2.gz SOWABOWZWJOTIU-UHFFFAOYSA-N -1 0 381.396 3.103 20 5 GGBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3cccnc3n2)cc1 ZINC000111995170 1412064882 /nfs/dbraw/zinc/06/48/82/1412064882.db2.gz RQFYHDDKIRZHNJ-UHFFFAOYSA-N -1 0 395.400 3.105 20 5 GGBDRM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000112160804 1412085295 /nfs/dbraw/zinc/08/52/95/1412085295.db2.gz BTTQJNMIZKWXGG-UHFFFAOYSA-N -1 0 395.245 3.011 20 5 GGBDRM CN(Cc1ccccc1-c1ccccc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736827931 1428622530 /nfs/dbraw/zinc/62/25/30/1428622530.db2.gz JQXBLAPDALBHGD-UHFFFAOYSA-N -1 0 387.403 3.473 20 5 GGBDRM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000115312533 1412644927 /nfs/dbraw/zinc/64/49/27/1412644927.db2.gz SBUCTTZVTBSGRC-UHFFFAOYSA-N -1 0 384.417 3.469 20 5 GGBDRM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)n1 ZINC000115312507 1412645527 /nfs/dbraw/zinc/64/55/27/1412645527.db2.gz JRONEVNMNLSANB-UHFFFAOYSA-N -1 0 388.380 3.300 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc32)cc([N+](=O)[O-])c1C ZINC000115900689 1412813302 /nfs/dbraw/zinc/81/33/02/1412813302.db2.gz HRVPJGADPPOHKV-OAHLLOKOSA-N -1 0 388.445 3.137 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCc3ccccc32)cc([N+](=O)[O-])c1C ZINC000115900686 1412813407 /nfs/dbraw/zinc/81/34/07/1412813407.db2.gz HRVPJGADPPOHKV-HNNXBMFYSA-N -1 0 388.445 3.137 20 5 GGBDRM O=C(C[C@@H]1CCc2ccccc21)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115909584 1412814473 /nfs/dbraw/zinc/81/44/73/1412814473.db2.gz ZNRXWQGIUTZOIO-LBPRGKRZSA-N -1 0 394.836 3.173 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000115924204 1412815856 /nfs/dbraw/zinc/81/58/56/1412815856.db2.gz QEZGTWUXWWGOHK-UHFFFAOYSA-N -1 0 398.440 3.494 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000115924252 1412815883 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GGBDRM CN(C)c1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736778827 1443155191 /nfs/dbraw/zinc/15/51/91/1443155191.db2.gz GGXTWZPXRYNWNH-QGZVFWFLSA-N -1 0 379.424 3.182 20 5 GGBDRM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000825625652 1443164714 /nfs/dbraw/zinc/16/47/14/1443164714.db2.gz AOSNTCAIWYRHCB-NSHDSACASA-N -1 0 397.395 3.056 20 5 GGBDRM CCc1oc2ccccc2c1CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821563726 1443188134 /nfs/dbraw/zinc/18/81/34/1443188134.db2.gz CDWQSEPJFDVHFL-UHFFFAOYSA-N -1 0 379.380 3.115 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nn[n-]n2)cn1 ZINC000823635088 1443261101 /nfs/dbraw/zinc/26/11/01/1443261101.db2.gz RAIHMXZMKSOGEF-UHFFFAOYSA-N -1 0 379.199 3.084 20 5 GGBDRM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000825621362 1443316078 /nfs/dbraw/zinc/31/60/78/1443316078.db2.gz QWBZCSQEGKDGNV-BENRWUELSA-N -1 0 394.391 3.216 20 5 GGBDRM CCc1nnc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c(-c2nn[n-]n2)c1CC 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/nfs/dbraw/zinc/50/35/83/1443503583.db2.gz GTLBUGKYEPPZJO-OAHLLOKOSA-N -1 0 396.382 3.156 20 5 GGBDRM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC000823640176 1443545161 /nfs/dbraw/zinc/54/51/61/1443545161.db2.gz WNPFOEGQOSQIQS-UHFFFAOYSA-N -1 0 394.313 3.285 20 5 GGBDRM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000738370277 1443546784 /nfs/dbraw/zinc/54/67/84/1443546784.db2.gz UGKAFHCTLZNTKR-CYBMUJFWSA-N -1 0 390.407 3.035 20 5 GGBDRM O=[N+]([O-])c1cc(Br)cnc1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000823635206 1443602907 /nfs/dbraw/zinc/60/29/07/1443602907.db2.gz TVNJAKDSRLIYJI-UHFFFAOYSA-N -1 0 379.199 3.084 20 5 GGBDRM COc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000826180608 1443623197 /nfs/dbraw/zinc/62/31/97/1443623197.db2.gz OXDKVXXTEGMXPX-UHFFFAOYSA-N -1 0 396.382 3.216 20 5 GGBDRM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000820455435 1443720811 /nfs/dbraw/zinc/72/08/11/1443720811.db2.gz IOGZYXGTVOEJKS-LBPRGKRZSA-N -1 0 376.380 3.134 20 5 GGBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CCc2ccccc21 ZINC000826451171 1443726823 /nfs/dbraw/zinc/72/68/23/1443726823.db2.gz SYXGPGXXZKKOKE-LBPRGKRZSA-N -1 0 384.783 3.097 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CSCCOc1ccccc1-c1nn[n-]n1 ZINC000737114538 1443758404 /nfs/dbraw/zinc/75/84/04/1443758404.db2.gz GXBJWYCRHZHLHR-UHFFFAOYSA-N -1 0 387.421 3.096 20 5 GGBDRM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820634800 1443819052 /nfs/dbraw/zinc/81/90/52/1443819052.db2.gz KATHWKWWOUPCTC-YLJYHZDGSA-N -1 0 387.403 3.465 20 5 GGBDRM CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000821475896 1443867767 /nfs/dbraw/zinc/86/77/67/1443867767.db2.gz BYOCPPWTYYINBV-UHFFFAOYSA-N -1 0 383.412 3.146 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000826293451 1443901327 /nfs/dbraw/zinc/90/13/27/1443901327.db2.gz PJGAICBIASSGLR-UHFFFAOYSA-N -1 0 376.380 3.086 20 5 GGBDRM CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821610076 1443962679 /nfs/dbraw/zinc/96/26/79/1443962679.db2.gz ZIMSCLIZXYSCNI-UHFFFAOYSA-N -1 0 378.314 3.430 20 5 GGBDRM C[C@@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820307886 1443970890 /nfs/dbraw/zinc/97/08/90/1443970890.db2.gz QRAJWXPHPDEAQB-JTQLQIEISA-N -1 0 381.421 3.428 20 5 GGBDRM COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826215552 1446175880 /nfs/dbraw/zinc/17/58/80/1446175880.db2.gz RYUKVOJAJZEOLX-XIKOKIGWSA-N -1 0 380.408 3.371 20 5 GGBDRM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824077659 1446184313 /nfs/dbraw/zinc/18/43/13/1446184313.db2.gz CUOSVSVZWKHXPH-ZBEGNZNMSA-N -1 0 397.439 3.329 20 5 GGBDRM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000820461398 1446197014 /nfs/dbraw/zinc/19/70/14/1446197014.db2.gz JHSVUNPBFTZSMO-QMMMGPOBSA-N -1 0 379.302 3.362 20 5 GGBDRM CCCC(O)(CCC)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821023357 1446222882 /nfs/dbraw/zinc/22/28/82/1446222882.db2.gz YICCGEHGPOWYOV-UHFFFAOYSA-N -1 0 385.428 3.066 20 5 GGBDRM CC(C)(C)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)s1 ZINC000824129625 1446350510 /nfs/dbraw/zinc/35/05/10/1446350510.db2.gz BKYCMGXUXUBDBR-UHFFFAOYSA-N -1 0 386.437 3.315 20 5 GGBDRM Cc1ccsc1CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826316206 1446369564 /nfs/dbraw/zinc/36/95/64/1446369564.db2.gz HEXXDMCBNPMCTM-UHFFFAOYSA-N -1 0 381.421 3.348 20 5 GGBDRM O=[N+]([O-])c1ccc(N2CC[C@@H](OCCCc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639547 1446453057 /nfs/dbraw/zinc/45/30/57/1446453057.db2.gz DBJFBJJLAGUVJA-QGZVFWFLSA-N -1 0 394.435 3.003 20 5 GGBDRM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC000824047294 1446464576 /nfs/dbraw/zinc/46/45/76/1446464576.db2.gz ZQOYUUCXNNLJNB-ZETCQYMHSA-N -1 0 378.801 3.232 20 5 GGBDRM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc([N+](=O)[O-])cc1Cl 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390.812 3.159 20 5 GGBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826330501 1447133433 /nfs/dbraw/zinc/13/34/33/1447133433.db2.gz XCGLRLVLQXGCCL-UHFFFAOYSA-N -1 0 387.425 3.090 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccco3)cc(-c3nn[n-]n3)c2c1 ZINC000823644757 1447139563 /nfs/dbraw/zinc/13/95/63/1447139563.db2.gz MBVLNJCMCXJWKP-HNNXBMFYSA-N -1 0 377.364 3.258 20 5 GGBDRM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1c(F)cc(F)cc1F ZINC000826451078 1447203477 /nfs/dbraw/zinc/20/34/77/1447203477.db2.gz PFVPBSCOCLLXDN-UHFFFAOYSA-N -1 0 398.688 3.098 20 5 GGBDRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000822229160 1449016978 /nfs/dbraw/zinc/01/69/78/1449016978.db2.gz OCEJLZCIPGMPAK-GFCCVEGCSA-N -1 0 381.396 3.274 20 5 GGBDRM COc1ccc(C[C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1OC ZINC000826191790 1449033779 /nfs/dbraw/zinc/03/37/79/1449033779.db2.gz QDHQLEBSGQFCLY-LBPRGKRZSA-N -1 0 398.423 3.083 20 5 GGBDRM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000736193425 1449086551 /nfs/dbraw/zinc/08/65/51/1449086551.db2.gz QYPROAATOGXQJN-SECBINFHSA-N -1 0 388.384 3.033 20 5 GGBDRM O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000826499100 1449087929 /nfs/dbraw/zinc/08/79/29/1449087929.db2.gz VVJXQGUQKYPDKJ-LBPRGKRZSA-N -1 0 385.815 3.119 20 5 GGBDRM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OCc2ccccc2)cc1 ZINC000823624544 1449092556 /nfs/dbraw/zinc/09/25/56/1449092556.db2.gz CHFSYNNYMKSVCO-UHFFFAOYSA-N -1 0 389.375 3.493 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000738369348 1449123977 /nfs/dbraw/zinc/12/39/77/1449123977.db2.gz LNARDNVKNWBVCZ-UHFFFAOYSA-N -1 0 386.412 3.480 20 5 GGBDRM CC(C)Oc1ccc(CC[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820252509 1449144542 /nfs/dbraw/zinc/14/45/42/1449144542.db2.gz BDKHBYRQPWHRLC-ZDUSSCGKSA-N -1 0 397.439 3.390 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Sc1cc2c(cc1Cl)OCCO2 ZINC000738361737 1449170998 /nfs/dbraw/zinc/17/09/98/1449170998.db2.gz ZMAKDJJZIPMOKN-UHFFFAOYSA-N -1 0 391.796 3.351 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737262809 1449202784 /nfs/dbraw/zinc/20/27/84/1449202784.db2.gz GGFOIEZVGMBDKS-VOTSOKGWSA-N -1 0 384.783 3.389 20 5 GGBDRM CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507229 1449294190 /nfs/dbraw/zinc/29/41/90/1449294190.db2.gz BZDGWCNJABVSET-UHFFFAOYSA-N -1 0 393.407 3.016 20 5 GGBDRM CCCO[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821127856 1449431444 /nfs/dbraw/zinc/43/14/44/1449431444.db2.gz MNXRUKPNTXAVJZ-CQSZACIVSA-N -1 0 397.439 3.109 20 5 GGBDRM CCc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000821486697 1449483917 /nfs/dbraw/zinc/48/39/17/1449483917.db2.gz JNDPVIWDEJRVJV-UHFFFAOYSA-N -1 0 397.391 3.100 20 5 GGBDRM O=[N+]([O-])c1ccc(NCCSCc2ccnc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000826499015 1449529749 /nfs/dbraw/zinc/52/97/49/1449529749.db2.gz RWMYQCXHJWEQMH-UHFFFAOYSA-N -1 0 391.844 3.169 20 5 GGBDRM O=[N+]([O-])c1cnc(NCCCO[C@@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738373393 1449603607 /nfs/dbraw/zinc/60/36/07/1449603607.db2.gz BQVWLUHWGBRONN-QGZVFWFLSA-N -1 0 395.423 3.066 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)cc(-c3nn[n-]n3)c2c1 ZINC000823645227 1449623812 /nfs/dbraw/zinc/62/38/12/1449623812.db2.gz PZDZOSYKVWAIOO-VPWXQRGCSA-N -1 0 399.414 3.321 20 5 GGBDRM CCc1c(C)sc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000736669300 1449698327 /nfs/dbraw/zinc/69/83/27/1449698327.db2.gz CPPLOOBVRICXMQ-RMKNXTFCSA-N -1 0 384.421 3.359 20 5 GGBDRM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826465396 1449739915 /nfs/dbraw/zinc/73/99/15/1449739915.db2.gz LPTGXTYTHQMRLG-UHFFFAOYSA-N -1 0 394.174 3.439 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825674042 1449843492 /nfs/dbraw/zinc/84/34/92/1449843492.db2.gz GQCKALQYQHYFHE-UHFFFAOYSA-N -1 0 388.384 3.278 20 5 GGBDRM COc1ccccc1C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC000821890728 1449964289 /nfs/dbraw/zinc/96/42/89/1449964289.db2.gz OXZWWTZDMCUCKK-UHFFFAOYSA-N -1 0 395.423 3.102 20 5 GGBDRM COc1cc(F)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737053222 1449967962 /nfs/dbraw/zinc/96/79/62/1449967962.db2.gz FZQRENVFTIGXON-SECBINFHSA-N -1 0 388.359 3.104 20 5 GGBDRM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000821304522 1450016512 /nfs/dbraw/zinc/01/65/12/1450016512.db2.gz IZEMYHYYBMUWQI-UHFFFAOYSA-N -1 0 381.396 3.021 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc(Br)cc1 ZINC000738357574 1450040478 /nfs/dbraw/zinc/04/04/78/1450040478.db2.gz FQHDJITUHMRBDG-UHFFFAOYSA-N -1 0 375.186 3.150 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823634507 1450083056 /nfs/dbraw/zinc/08/30/56/1450083056.db2.gz ITKFOBOJZPVKST-UHFFFAOYSA-N -1 0 394.160 3.256 20 5 GGBDRM O=[N+]([O-])c1cnc(NCC(c2ccccc2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823650803 1450197130 /nfs/dbraw/zinc/19/71/30/1450197130.db2.gz AXGQMXXESPJFCI-UHFFFAOYSA-N -1 0 387.403 3.414 20 5 GGBDRM C[C@H]1CCCC[C@@H]1OCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705921 1450288242 /nfs/dbraw/zinc/28/82/42/1450288242.db2.gz WVQDXDNPZUSSHT-SJCJKPOMSA-N -1 0 397.439 3.330 20 5 GGBDRM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000737954408 1450416889 /nfs/dbraw/zinc/41/68/89/1450416889.db2.gz LLXNZRYALWEATC-UHFFFAOYSA-N -1 0 392.419 3.293 20 5 GGBDRM O=[N+]([O-])c1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000738366716 1450501619 /nfs/dbraw/zinc/50/16/19/1450501619.db2.gz IDFBGWSMFMLCJB-UHFFFAOYSA-N -1 0 399.754 3.057 20 5 GGBDRM Cc1c(CC(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235983 1450516384 /nfs/dbraw/zinc/51/63/84/1450516384.db2.gz WBYUAVAIBCMOCV-UHFFFAOYSA-N -1 0 394.435 3.315 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000236671303 939044621 /nfs/dbraw/zinc/04/46/21/939044621.db2.gz NXBLQCOBWTUNNX-IBGZPJMESA-N -1 0 397.431 3.387 20 5 GGBDRM Cc1ccc([C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1C ZINC000262801260 939073388 /nfs/dbraw/zinc/07/33/88/939073388.db2.gz AKSSGMYDEYIVEU-LJQANCHMSA-N -1 0 397.431 3.368 20 5 GGBDRM CCO[C@@H]1C[C@](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000262815641 939074325 /nfs/dbraw/zinc/07/43/25/939074325.db2.gz OUWJLDYGOHFDJQ-QRWLVFNGSA-N -1 0 392.452 3.281 20 5 GGBDRM CCO[C@@H]1C[C@@](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000262815634 939074409 /nfs/dbraw/zinc/07/44/09/939074409.db2.gz OUWJLDYGOHFDJQ-FOIQADDNSA-N -1 0 392.452 3.281 20 5 GGBDRM CCO[C@H]1C[C@](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)(C(=O)[O-])C1(C)C ZINC000262832244 939075724 /nfs/dbraw/zinc/07/57/24/939075724.db2.gz RSLVODXPTVXWKW-KSSFIOAISA-N -1 0 392.433 3.198 20 5 GGBDRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000263054379 939095816 /nfs/dbraw/zinc/09/58/16/939095816.db2.gz OCOXDASRVYPSLU-SFHVURJKSA-N -1 0 384.388 3.209 20 5 GGBDRM C[C@](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC000263238305 939111416 /nfs/dbraw/zinc/11/14/16/939111416.db2.gz SYUMEYUWYRYEJM-LJQANCHMSA-N -1 0 389.383 3.042 20 5 GGBDRM O=C([O-])[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000431857903 939163171 /nfs/dbraw/zinc/16/31/71/939163171.db2.gz MKDGKBDURVGXIO-HXUWFJFHSA-N -1 0 393.399 3.492 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000797727670 939190740 /nfs/dbraw/zinc/19/07/40/939190740.db2.gz QJJNDTNNDYXOLO-IBGZPJMESA-N -1 0 393.399 3.416 20 5 GGBDRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000797731666 939195098 /nfs/dbraw/zinc/19/50/98/939195098.db2.gz BZUOCAIRWYDMIB-QLJPJBMISA-N -1 0 393.346 3.368 20 5 GGBDRM C[C@H]1CCCN(c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2[N+](=O)[O-])C1 ZINC000481940822 939216844 /nfs/dbraw/zinc/21/68/44/939216844.db2.gz FVQGPJOGRPSFBD-AWEZNQCLSA-N -1 0 389.452 3.348 20 5 GGBDRM CC[C@](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000485371523 939227755 /nfs/dbraw/zinc/22/77/55/939227755.db2.gz QGCGNZQHZTUWMH-HXUWFJFHSA-N -1 0 385.420 3.293 20 5 GGBDRM CC[C@@](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000485371522 939227761 /nfs/dbraw/zinc/22/77/61/939227761.db2.gz QGCGNZQHZTUWMH-FQEVSTJZSA-N -1 0 385.420 3.293 20 5 GGBDRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000863973271 939246143 /nfs/dbraw/zinc/24/61/43/939246143.db2.gz JCGWSGNVSGHCOJ-IBGZPJMESA-N -1 0 387.392 3.481 20 5 GGBDRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000537404037 939269972 /nfs/dbraw/zinc/26/99/72/939269972.db2.gz TXMSTVLZFINACM-AWEZNQCLSA-N -1 0 380.303 3.060 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000537410687 939270850 /nfs/dbraw/zinc/27/08/50/939270850.db2.gz HKZRAKDSSDWWAT-CQSZACIVSA-N -1 0 380.303 3.060 20 5 GGBDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000537413911 939271820 /nfs/dbraw/zinc/27/18/20/939271820.db2.gz VLBHXVOSOKQPSA-CQSZACIVSA-N -1 0 380.303 3.060 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)c(F)c1 ZINC000538466244 939272541 /nfs/dbraw/zinc/27/25/41/939272541.db2.gz DUDPJAZKVQKGCG-HNNXBMFYSA-N -1 0 391.742 3.424 20 5 GGBDRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540701788 939291353 /nfs/dbraw/zinc/29/13/53/939291353.db2.gz KLFRMFLFXXOLNJ-HNNXBMFYSA-N -1 0 394.330 3.314 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000540704983 939293521 /nfs/dbraw/zinc/29/35/21/939293521.db2.gz MICBSYRYTGARCF-CQSZACIVSA-N -1 0 380.303 3.060 20 5 GGBDRM O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000562429040 939325233 /nfs/dbraw/zinc/32/52/33/939325233.db2.gz CJFKPHNEGPUZBJ-OAHLLOKOSA-N -1 0 395.774 3.055 20 5 GGBDRM COc1ccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1Cl ZINC000569067384 939372462 /nfs/dbraw/zinc/37/24/62/939372462.db2.gz JCUXIYHQMXTBOM-AWEZNQCLSA-N -1 0 397.746 3.343 20 5 GGBDRM COc1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1Cl ZINC000569067389 939372638 /nfs/dbraw/zinc/37/26/38/939372638.db2.gz JCUXIYHQMXTBOM-CQSZACIVSA-N -1 0 397.746 3.343 20 5 GGBDRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000571242244 939390027 /nfs/dbraw/zinc/39/00/27/939390027.db2.gz NPNSRAFFAMETDI-AWEZNQCLSA-N -1 0 395.318 3.452 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000572461928 939399266 /nfs/dbraw/zinc/39/92/66/939399266.db2.gz DKTGWZWUXZPWFH-ZDUSSCGKSA-N -1 0 381.291 3.144 20 5 GGBDRM O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(OC(F)F)cc1 ZINC000574386298 939726011 /nfs/dbraw/zinc/72/60/11/939726011.db2.gz VXAJXHDKVVGHAR-CYBMUJFWSA-N -1 0 399.281 3.283 20 5 GGBDRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000575243338 939732817 /nfs/dbraw/zinc/73/28/17/939732817.db2.gz LCJWXIFHMJFSLK-KZULUSFZSA-N -1 0 399.403 3.024 20 5 GGBDRM Cc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000575243339 939732846 /nfs/dbraw/zinc/73/28/46/939732846.db2.gz LCJWXIFHMJFSLK-SGTLLEGYSA-N -1 0 399.403 3.024 20 5 GGBDRM COc1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1Cl ZINC000575975662 939735568 /nfs/dbraw/zinc/73/55/68/939735568.db2.gz LVCRAJNDLMWAJA-CQSZACIVSA-N -1 0 379.756 3.204 20 5 GGBDRM Cc1cc([C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])ccc1F ZINC000577578024 939747646 /nfs/dbraw/zinc/74/76/46/939747646.db2.gz ZWRRNDINZVNAAU-BDJLRTHQSA-N -1 0 375.356 3.228 20 5 GGBDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])C1 ZINC000580777328 939773933 /nfs/dbraw/zinc/77/39/33/939773933.db2.gz PXOZYYCHMPCJNS-PXWWUCIGSA-N -1 0 385.804 3.028 20 5 GGBDRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000581922056 939781051 /nfs/dbraw/zinc/78/10/51/939781051.db2.gz GGSGVVBJVXFWDZ-CQSZACIVSA-N -1 0 397.746 3.343 20 5 GGBDRM Cc1ccc(C2(C(=O)N[C@@](C)(C(=O)[O-])c3cccc([N+](=O)[O-])c3)CCC2)cc1 ZINC000600873096 939804213 /nfs/dbraw/zinc/80/42/13/939804213.db2.gz GOPJWRUCJUBAGV-HXUWFJFHSA-N -1 0 382.416 3.441 20 5 GGBDRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872268 939804302 /nfs/dbraw/zinc/80/43/02/939804302.db2.gz DTQDVSLEARLGMI-ZUOKHONESA-N -1 0 388.395 3.419 20 5 GGBDRM CCOc1cccc(CCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600873249 939804459 /nfs/dbraw/zinc/80/44/59/939804459.db2.gz FFTMCUGTCNMEFO-FQEVSTJZSA-N -1 0 386.404 3.042 20 5 GGBDRM C[C@](NC(=O)CCCOCc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874057 939804661 /nfs/dbraw/zinc/80/46/61/939804661.db2.gz IQNXNYVHBXBXRW-HXUWFJFHSA-N -1 0 386.404 3.008 20 5 GGBDRM CC(C)c1ccc(OCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600874721 939805177 /nfs/dbraw/zinc/80/51/77/939805177.db2.gz KKFUJFYZISCRGA-HXUWFJFHSA-N -1 0 386.404 3.213 20 5 GGBDRM CC(C)c1cccc(OCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600876257 939805410 /nfs/dbraw/zinc/80/54/10/939805410.db2.gz OZOKQGLRMHIGHI-FQEVSTJZSA-N -1 0 386.404 3.213 20 5 GGBDRM COc1ccccc1[C@@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876297 939805492 /nfs/dbraw/zinc/80/54/92/939805492.db2.gz PJNOSBXHNTYKCA-RNODOKPDSA-N -1 0 386.404 3.213 20 5 GGBDRM C[C@](NC(=O)CCCOc1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877798 939806061 /nfs/dbraw/zinc/80/60/61/939806061.db2.gz UVCVUXLRMYCAHW-LJQANCHMSA-N -1 0 390.367 3.009 20 5 GGBDRM 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C[C@@H]1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000592421523 953744121 /nfs/dbraw/zinc/74/41/21/953744121.db2.gz RGBUBIUUBNTRFO-SFYZADRCSA-N -1 0 383.273 3.191 20 5 GGBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001594801934 953745464 /nfs/dbraw/zinc/74/54/64/953745464.db2.gz UOAIFQMIKNVXOC-ZDUSSCGKSA-N -1 0 395.318 3.014 20 5 GGBDRM C[C@](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000593701854 953755457 /nfs/dbraw/zinc/75/54/57/953755457.db2.gz PLGJONSAMOBNAC-OAQYLSRUSA-N -1 0 397.431 3.311 20 5 GGBDRM C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461328 953761303 /nfs/dbraw/zinc/76/13/03/953761303.db2.gz DMLKWZHVWUHBJA-UHOFOFEASA-N -1 0 377.441 3.039 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594463542 953763044 /nfs/dbraw/zinc/76/30/44/953763044.db2.gz RFTGOQGCCNRRFI-IDTSFGKNSA-N -1 0 380.466 3.327 20 5 GGBDRM C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594463540 953763467 /nfs/dbraw/zinc/76/34/67/953763467.db2.gz RFTGOQGCCNRRFI-FDRIWYBQSA-N -1 0 380.466 3.327 20 5 GGBDRM C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594464652 953763641 /nfs/dbraw/zinc/76/36/41/953763641.db2.gz XIARVEWDSSXLGR-WCFLWFBJSA-N -1 0 398.843 3.269 20 5 GGBDRM C[C@@H](Nc1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000594465658 953763706 /nfs/dbraw/zinc/76/37/06/953763706.db2.gz HIQUJXGEDMBIMT-CYBMUJFWSA-N -1 0 398.419 3.242 20 5 GGBDRM CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000594529321 953765021 /nfs/dbraw/zinc/76/50/21/953765021.db2.gz RFNLSGOOSCFQJM-CAPXZKIUSA-N -1 0 377.441 3.481 20 5 GGBDRM C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594535886 953765812 /nfs/dbraw/zinc/76/58/12/953765812.db2.gz HJDBVPFBKMNKAO-VBNZEHGJSA-N -1 0 389.452 3.404 20 5 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O=C([O-])c1cc(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1O ZINC001594806882 953790446 /nfs/dbraw/zinc/79/04/46/953790446.db2.gz UJMKTZKUWYAGLV-UHFFFAOYSA-N -1 0 385.357 3.374 20 5 GGBDRM O=C([O-])c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc2ccccn21 ZINC001594817940 953878874 /nfs/dbraw/zinc/87/88/74/953878874.db2.gz DMGJVJBVUPXUKE-UHFFFAOYSA-N -1 0 382.357 3.408 20 5 GGBDRM O=C([O-])c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCOC2 ZINC001594821947 953907129 /nfs/dbraw/zinc/90/71/29/953907129.db2.gz OPPYCCHBGOUYJM-UHFFFAOYSA-N -1 0 382.781 3.333 20 5 GGBDRM CN(C(=O)c1ccc(C(=O)[O-])nc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001593683043 953975160 /nfs/dbraw/zinc/97/51/60/953975160.db2.gz SWTFHTMUPHFLII-UHFFFAOYSA-N -1 0 384.373 3.088 20 5 GGBDRM O=C([O-])[C@@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001594841747 954084349 /nfs/dbraw/zinc/08/43/49/954084349.db2.gz BKMYNDIFTJJLHN-OAHLLOKOSA-N -1 0 382.351 3.299 20 5 GGBDRM O=C([O-])[C@H](Cc1ccncc1)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 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/nfs/dbraw/zinc/14/99/11/954149911.db2.gz SQCOMJZJIRNODJ-UHFFFAOYSA-N -1 0 384.392 3.177 20 5 GGBDRM CC(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC000655564946 954203794 /nfs/dbraw/zinc/20/37/94/954203794.db2.gz JZWGBIASMJGTPQ-OAHLLOKOSA-N -1 0 388.370 3.046 20 5 GGBDRM CC(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC000655564945 954204818 /nfs/dbraw/zinc/20/48/18/954204818.db2.gz JZWGBIASMJGTPQ-HNNXBMFYSA-N -1 0 388.370 3.046 20 5 GGBDRM O=C([O-])C1(CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 ZINC001594879750 954413152 /nfs/dbraw/zinc/41/31/52/954413152.db2.gz SYBMJVAEIUDNQF-UHFFFAOYSA-N -1 0 383.242 3.360 20 5 GGBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593755909 954452746 /nfs/dbraw/zinc/45/27/46/954452746.db2.gz SZLILKNNCKWYBN-IRXDYDNUSA-N -1 0 383.404 3.092 20 5 GGBDRM O=C([O-])[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)c2ccccc21 ZINC001594899626 954611734 /nfs/dbraw/zinc/61/17/34/954611734.db2.gz 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GGBDRM Cn1cc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(=O)[O-])cn1 ZINC001594522808 955467084 /nfs/dbraw/zinc/46/70/84/955467084.db2.gz BOPXNEGJRAOQCO-QPJJXVBHSA-N -1 0 398.400 3.407 20 5 GGBDRM C[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001589050693 955659707 /nfs/dbraw/zinc/65/97/07/955659707.db2.gz MIUHJJFAPWEKMR-PAPYEOQZSA-N -1 0 377.441 3.133 20 5 GGBDRM C[C@@](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)(C(=O)[O-])c1ccccc1 ZINC001589058385 955716032 /nfs/dbraw/zinc/71/60/32/955716032.db2.gz ZSARASFTCBGBHM-KRWDZBQOSA-N -1 0 377.784 3.412 20 5 GGBDRM C[C@@](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001589063747 955736368 /nfs/dbraw/zinc/73/63/68/955736368.db2.gz CFTGXDZKWFUPPA-KRWDZBQOSA-N -1 0 380.759 3.160 20 5 GGBDRM COC(=O)/C=C/c1ccc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])c1 ZINC000848637928 955772605 /nfs/dbraw/zinc/77/26/05/955772605.db2.gz NMNKRXNUXOKCFG-VUPUAVJOSA-N -1 0 376.409 3.328 20 5 GGBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001603065517 972129797 /nfs/dbraw/zinc/12/97/97/972129797.db2.gz IYWVUEOKBFLVHS-UHFFFAOYSA-N -1 0 389.412 3.054 20 5 GGBDRM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589088454 955918044 /nfs/dbraw/zinc/91/80/44/955918044.db2.gz WQSNCRDAWABQMJ-LEWSCRJBSA-N -1 0 380.416 3.263 20 5 GGBDRM C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589088453 955918828 /nfs/dbraw/zinc/91/88/28/955918828.db2.gz WQSNCRDAWABQMJ-DDTOSNHZSA-N -1 0 380.416 3.263 20 5 GGBDRM CC(C)Oc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1[N+](=O)[O-] ZINC001603080097 972150836 /nfs/dbraw/zinc/15/08/36/972150836.db2.gz ICGXMLVSOFIKPE-KWCYVHTRSA-N -1 0 378.425 3.247 20 5 GGBDRM Cn1nccc1[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC001594595480 956082661 /nfs/dbraw/zinc/08/26/61/956082661.db2.gz OPULZCQYEYFTBR-MRXNPFEDSA-N -1 0 390.783 3.157 20 5 GGBDRM C[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114811 956086766 /nfs/dbraw/zinc/08/67/66/956086766.db2.gz HNBGXNUCSPZRNM-NZVBXONLSA-N -1 0 385.420 3.195 20 5 GGBDRM O=C([O-])CC[C@H]1CCCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901551942 956338287 /nfs/dbraw/zinc/33/82/87/956338287.db2.gz KRQDDJNPXWZMAG-SECBINFHSA-N -1 0 377.260 3.496 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001589168312 956441098 /nfs/dbraw/zinc/44/10/98/956441098.db2.gz ZOBICLWPRKKXPL-ZYHUDNBSSA-N -1 0 386.832 3.411 20 5 GGBDRM Nc1c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001594658819 956512446 /nfs/dbraw/zinc/51/24/46/956512446.db2.gz ASJMXNSRCXTOTF-BXKDBHETSA-N -1 0 393.758 3.013 20 5 GGBDRM Nc1c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc2ccccc2c1[N+](=O)[O-] ZINC001594660319 956528997 /nfs/dbraw/zinc/52/89/97/956528997.db2.gz WTQHBTJSQXHBKJ-IBGZPJMESA-N -1 0 391.383 3.154 20 5 GGBDRM 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GGBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001573710548 959846400 /nfs/dbraw/zinc/84/64/00/959846400.db2.gz FKTBHKVEASIDOO-NKWVEPMBSA-N -1 0 379.171 3.366 20 5 GGBDRM COc1ccc2ncc([N+](=O)[O-])c(NC[C@](C)(C(=O)[O-])c3ccccc3)c2c1 ZINC001574227310 960406913 /nfs/dbraw/zinc/40/69/13/960406913.db2.gz YNVVJAOENKBWNI-FQEVSTJZSA-N -1 0 381.388 3.028 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001573737023 960451487 /nfs/dbraw/zinc/45/14/87/960451487.db2.gz KNHNKBMGIHNLCY-UHFFFAOYSA-N -1 0 391.468 3.404 20 5 GGBDRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)c3ccc([N+](=O)[O-])cn3)sc21 ZINC001573745407 960489052 /nfs/dbraw/zinc/48/90/52/960489052.db2.gz CZWAZXZEJQSGRJ-JGVFFNPUSA-N -1 0 377.378 3.024 20 5 GGBDRM Cc1c(Br)cc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC001574298444 960711832 /nfs/dbraw/zinc/71/18/32/960711832.db2.gz CPBZSWUPASOWPJ-UHFFFAOYSA-N -1 0 393.193 3.294 20 5 GGBDRM 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CC1CCN(c2ccc(C(=O)NCCCCCC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000236729769 960743726 /nfs/dbraw/zinc/74/37/26/960743726.db2.gz IEETUEORMIIMFA-UHFFFAOYSA-N -1 0 377.441 3.206 20 5 GGBDRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000236732291 960744773 /nfs/dbraw/zinc/74/47/73/960744773.db2.gz CSOIFYNOWNWQSQ-INIZCTEOSA-N -1 0 382.376 3.296 20 5 GGBDRM CC(C)N(CCC(=O)[O-])C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000236728321 960744889 /nfs/dbraw/zinc/74/48/89/960744889.db2.gz PHTKPGMNPYSZHI-UHFFFAOYSA-N -1 0 391.346 3.127 20 5 GGBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236853289 960773936 /nfs/dbraw/zinc/77/39/36/960773936.db2.gz PHLJTTWGGQEJBQ-CXAGYDPISA-N -1 0 377.441 3.060 20 5 GGBDRM CCC(CC)(CNC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236891280 960790048 /nfs/dbraw/zinc/79/00/48/960790048.db2.gz JWSLGBBDDQOHEH-UHFFFAOYSA-N -1 0 391.468 3.452 20 5 GGBDRM CC[C@H](C)[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000236943746 960805594 /nfs/dbraw/zinc/80/55/94/960805594.db2.gz GPGYUWPIMBXVKS-XPTSAGLGSA-N -1 0 391.346 3.031 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCCCCCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000237524191 960953825 /nfs/dbraw/zinc/95/38/25/960953825.db2.gz MMDIABTVQQDDMY-GASCZTMLSA-N -1 0 391.468 3.452 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@H]3C)n1 ZINC001574344154 960956756 /nfs/dbraw/zinc/95/67/56/960956756.db2.gz DIHBZGGQIGLVQQ-BDAKNGLRSA-N -1 0 391.405 3.332 20 5 GGBDRM O=C([O-])c1ccnc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1[N+](=O)[O-] ZINC001326420647 961089126 /nfs/dbraw/zinc/08/91/26/961089126.db2.gz FNKWXUHZRQIHFR-MRXNPFEDSA-N -1 0 393.403 3.422 20 5 GGBDRM O=C([O-])c1ccc(CCNC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000238100902 961096193 /nfs/dbraw/zinc/09/61/93/961096193.db2.gz ZGABVWBOJJEPRS-UHFFFAOYSA-N -1 0 397.412 3.389 20 5 GGBDRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000238129651 961118928 /nfs/dbraw/zinc/11/89/28/961118928.db2.gz FONZHTYDISNRLQ-UHFFFAOYSA-N -1 0 396.321 3.270 20 5 GGBDRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001574387027 961136240 /nfs/dbraw/zinc/13/62/40/961136240.db2.gz CDFUJBQXJICWRQ-UHFFFAOYSA-N -1 0 380.360 3.099 20 5 GGBDRM Cc1cccc([C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001574388083 961145269 /nfs/dbraw/zinc/14/52/69/961145269.db2.gz JGAFTBYYNCWDFF-INIZCTEOSA-N -1 0 380.759 3.180 20 5 GGBDRM Cc1cccc([C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C(=O)[O-])c1 ZINC001574392855 961195144 /nfs/dbraw/zinc/19/51/44/961195144.db2.gz XNXQOIBMLXWNAN-CQSZACIVSA-N -1 0 395.318 3.452 20 5 GGBDRM O=C([O-])[C@@H](c1ccccc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001328740123 961225444 /nfs/dbraw/zinc/22/54/44/961225444.db2.gz MGNIYMYYEYLTSW-QGZVFWFLSA-N -1 0 375.812 3.196 20 5 GGBDRM CC(C)CCSc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000262153124 961503548 /nfs/dbraw/zinc/50/35/48/961503548.db2.gz ADNPLZWTIAFTJR-AWEZNQCLSA-N -1 0 396.465 3.049 20 5 GGBDRM Cn1ccnc1C(=O)c1ccc(Nc2cccc(CCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001574456345 961510567 /nfs/dbraw/zinc/51/05/67/961510567.db2.gz DJEJZMILDIOQFS-UHFFFAOYSA-N -1 0 394.387 3.320 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000262197677 961544031 /nfs/dbraw/zinc/54/40/31/961544031.db2.gz UFOMHKNNMDDUJM-IRXDYDNUSA-N -1 0 388.351 3.082 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000262197675 961544183 /nfs/dbraw/zinc/54/41/83/961544183.db2.gz UFOMHKNNMDDUJM-DLBZAZTESA-N -1 0 388.351 3.082 20 5 GGBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262430057 961715809 /nfs/dbraw/zinc/71/58/09/961715809.db2.gz RVUFZZOKUBUAIK-GFCCVEGCSA-N -1 0 394.449 3.399 20 5 GGBDRM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262567265 961774745 /nfs/dbraw/zinc/77/47/45/961774745.db2.gz BPHFCVZRFLYHKY-MRXNPFEDSA-N -1 0 384.388 3.149 20 5 GGBDRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000262569483 961776154 /nfs/dbraw/zinc/77/61/54/961776154.db2.gz CCTMIWCSYNBESP-SFHVURJKSA-N -1 0 384.388 3.114 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000262584075 961780262 /nfs/dbraw/zinc/78/02/62/961780262.db2.gz GFUZCPFCMVMQNG-QGZVFWFLSA-N -1 0 389.383 3.258 20 5 GGBDRM Nc1c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc(Cl)cc1[N+](=O)[O-] ZINC001574507280 961789038 /nfs/dbraw/zinc/78/90/38/961789038.db2.gz SVPJQUOVWKFDHA-UHFFFAOYSA-N -1 0 378.772 3.492 20 5 GGBDRM Nc1c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc2ccccc2c1[N+](=O)[O-] ZINC001574508378 961797204 /nfs/dbraw/zinc/79/72/04/961797204.db2.gz VRULAXMWAJBVBR-RDJZCZTQSA-N -1 0 391.383 3.373 20 5 GGBDRM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262676952 961804104 /nfs/dbraw/zinc/80/41/04/961804104.db2.gz YTRWUXHMCFQONL-QGZVFWFLSA-N -1 0 394.387 3.157 20 5 GGBDRM COc1ccc(CSCC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000262726334 961831229 /nfs/dbraw/zinc/83/12/29/961831229.db2.gz GRDFNCNMPBVBLU-UHFFFAOYSA-N -1 0 396.465 3.083 20 5 GGBDRM CSc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262777187 961861803 /nfs/dbraw/zinc/86/18/03/961861803.db2.gz AVBGIFSVUOZDLY-LSDHHAIUSA-N -1 0 386.429 3.257 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001574531528 961900545 /nfs/dbraw/zinc/90/05/45/961900545.db2.gz DBYAUCJMCOOPIK-HNNXBMFYSA-N -1 0 398.799 3.422 20 5 GGBDRM O=C([O-])CC1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC1 ZINC000262857447 961921653 /nfs/dbraw/zinc/92/16/53/961921653.db2.gz IKEGURQIRSMMKD-UHFFFAOYSA-N -1 0 378.428 3.058 20 5 GGBDRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)n1CC1CC1 ZINC001335431382 961927634 /nfs/dbraw/zinc/92/76/34/961927634.db2.gz IYMBGZZGTOCRQW-HXUWFJFHSA-N -1 0 385.420 3.153 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262866594 961936684 /nfs/dbraw/zinc/93/66/84/961936684.db2.gz ATDRAWVXUHWSJS-AWEZNQCLSA-N -1 0 386.404 3.474 20 5 GGBDRM CC(C)CCSc1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000262866710 961937046 /nfs/dbraw/zinc/93/70/46/961937046.db2.gz FTRBXXOXIGCNIM-GOSISDBHSA-N -1 0 396.465 3.097 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001574548771 961961394 /nfs/dbraw/zinc/96/13/94/961961394.db2.gz SXHTWABBAUPMIO-ZDUSSCGKSA-N -1 0 386.257 3.308 20 5 GGBDRM COc1cc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262900116 961977797 /nfs/dbraw/zinc/97/77/97/961977797.db2.gz CVRDTVMYSYZYIV-PBHICJAKSA-N -1 0 398.415 3.297 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000262899991 961977991 /nfs/dbraw/zinc/97/79/91/961977991.db2.gz ZWZILXBTNLUMDN-UGSOOPFHSA-N -1 0 384.388 3.191 20 5 GGBDRM COc1cc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262900120 961978136 /nfs/dbraw/zinc/97/81/36/961978136.db2.gz CVRDTVMYSYZYIV-WMLDXEAASA-N -1 0 398.415 3.297 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000262899987 961978335 /nfs/dbraw/zinc/97/83/35/961978335.db2.gz ZWZILXBTNLUMDN-SCLBCKFNSA-N -1 0 384.388 3.191 20 5 GGBDRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]2C ZINC000262920943 962002899 /nfs/dbraw/zinc/00/28/99/962002899.db2.gz ZJFVQTGMALGILX-VXGBXAGGSA-N -1 0 384.388 3.450 20 5 GGBDRM Cc1csc(Sc2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc2[N+](=O)[O-])n1 ZINC000262926307 962009156 /nfs/dbraw/zinc/00/91/56/962009156.db2.gz WIQRSNKEUHCSIK-CYBMUJFWSA-N -1 0 395.462 3.350 20 5 GGBDRM CC(C)CCSc1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1[N+](=O)[O-] ZINC001588868080 962038893 /nfs/dbraw/zinc/03/88/93/962038893.db2.gz UJGSAZBSJQVSMG-UHFFFAOYSA-N -1 0 378.410 3.407 20 5 GGBDRM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262954349 962039958 /nfs/dbraw/zinc/03/99/58/962039958.db2.gz HMXFPXLXAFVFOO-APWZRJJASA-N -1 0 382.416 3.217 20 5 GGBDRM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262954352 962040545 /nfs/dbraw/zinc/04/05/45/962040545.db2.gz HMXFPXLXAFVFOO-QFBILLFUSA-N -1 0 382.416 3.217 20 5 GGBDRM O=C([O-])CC1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000262955969 962041417 /nfs/dbraw/zinc/04/14/17/962041417.db2.gz RESKFZWRMITWHF-UHFFFAOYSA-N -1 0 375.406 3.236 20 5 GGBDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000263010436 962112022 /nfs/dbraw/zinc/11/20/22/962112022.db2.gz XDYIJKUNLPKBAD-CVEARBPZSA-N -1 0 383.404 3.190 20 5 GGBDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263039419 962162184 /nfs/dbraw/zinc/16/21/84/962162184.db2.gz VNZWZHJXSLUZTK-ZDUSSCGKSA-N -1 0 383.404 3.285 20 5 GGBDRM CC(C)C[C@@H](NC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C(=O)[O-] ZINC001588883086 962162246 /nfs/dbraw/zinc/16/22/46/962162246.db2.gz MSESITNKBPXCGX-SKDRFNHKSA-N -1 0 395.309 3.136 20 5 GGBDRM CC[C@@](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000263055036 962188752 /nfs/dbraw/zinc/18/87/52/962188752.db2.gz RNEILUWBRRIBCG-NRFANRHFSA-N -1 0 397.431 3.332 20 5 GGBDRM CC[C@](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000263055038 962188877 /nfs/dbraw/zinc/18/88/77/962188877.db2.gz RNEILUWBRRIBCG-OAQYLSRUSA-N -1 0 397.431 3.332 20 5 GGBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263056323 962193746 /nfs/dbraw/zinc/19/37/46/962193746.db2.gz SJBNUGYZHWNSNT-OSQNNJELSA-N -1 0 384.841 3.052 20 5 GGBDRM C[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(=O)[O-])C1 ZINC000263092071 962239984 /nfs/dbraw/zinc/23/99/84/962239984.db2.gz STFIBBWDYCACGP-HZMBPMFUSA-N -1 0 375.406 3.044 20 5 GGBDRM C[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(=O)[O-])C1 ZINC000263092074 962240695 /nfs/dbraw/zinc/24/06/95/962240695.db2.gz STFIBBWDYCACGP-YGRLFVJLSA-N -1 0 375.406 3.044 20 5 GGBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263102859 962254992 /nfs/dbraw/zinc/25/49/92/962254992.db2.gz WADOWOLJJOOJFQ-ZLDLUXBVSA-N -1 0 387.417 3.044 20 5 GGBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263102856 962255087 /nfs/dbraw/zinc/25/50/87/962255087.db2.gz WADOWOLJJOOJFQ-WHOFXGATSA-N -1 0 387.417 3.044 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000263166851 962319116 /nfs/dbraw/zinc/31/91/16/962319116.db2.gz QFSHQHDJZMVAJO-MRXNPFEDSA-N -1 0 387.367 3.254 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001574092423 962352476 /nfs/dbraw/zinc/35/24/76/962352476.db2.gz WRBGUWNUGIFZCR-CQSZACIVSA-N -1 0 398.415 3.425 20 5 GGBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000263209883 962366033 /nfs/dbraw/zinc/36/60/33/962366033.db2.gz LIAQIOVFVBEICQ-KRWDZBQOSA-N -1 0 375.406 3.045 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000263260364 962400650 /nfs/dbraw/zinc/40/06/50/962400650.db2.gz GHIOKELTWZQRMP-IBGZPJMESA-N -1 0 388.445 3.479 20 5 GGBDRM O=C([O-])[C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])c2ccccc21 ZINC001574650432 962424606 /nfs/dbraw/zinc/42/46/06/962424606.db2.gz RIPHVQJMGOQIEQ-RYUDHWBXSA-N -1 0 378.182 3.477 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])c2ccccc21 ZINC001574650433 962425431 /nfs/dbraw/zinc/42/54/31/962425431.db2.gz RIPHVQJMGOQIEQ-VXGBXAGGSA-N -1 0 378.182 3.477 20 5 GGBDRM CC(C)Oc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC001588935086 962485274 /nfs/dbraw/zinc/48/52/74/962485274.db2.gz GXNGHUWJVZFRBS-MRXNPFEDSA-N -1 0 384.388 3.206 20 5 GGBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000263364912 962523524 /nfs/dbraw/zinc/52/35/24/962523524.db2.gz ZLHYZEOAGHZIMZ-QGZVFWFLSA-N -1 0 375.406 3.045 20 5 GGBDRM O=C([O-])CC1(C(=O)OCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC001574675161 962557507 /nfs/dbraw/zinc/55/75/07/962557507.db2.gz DEZQDXGSPNZLJE-UHFFFAOYSA-N -1 0 376.390 3.407 20 5 GGBDRM COc1cccc(C2CCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CC2)c1 ZINC000263549785 962723658 /nfs/dbraw/zinc/72/36/58/962723658.db2.gz VVDSUYLLQOPVPB-UHFFFAOYSA-N -1 0 384.388 3.321 20 5 GGBDRM O=C([O-])COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC001574732705 962852983 /nfs/dbraw/zinc/85/29/83/962852983.db2.gz XZIFKMPKQLGXIS-UHFFFAOYSA-N -1 0 399.384 3.434 20 5 GGBDRM 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CC(C)C[C@@H](CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000424420496 968366372 /nfs/dbraw/zinc/36/63/72/968366372.db2.gz BPKWSQLVKHRKNT-HOTGVXAUSA-N -1 0 377.441 3.231 20 5 GGBDRM CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)[O-] ZINC000504224056 968387730 /nfs/dbraw/zinc/38/77/30/968387730.db2.gz ALGNWYOCKQQLJP-GOSISDBHSA-N -1 0 385.420 3.436 20 5 GGBDRM C[C@@H]1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000577953057 968465104 /nfs/dbraw/zinc/46/51/04/968465104.db2.gz PDHPHJFJZZQPEC-PBHICJAKSA-N -1 0 397.431 3.390 20 5 GGBDRM O=C([O-])c1cccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000591270008 968485964 /nfs/dbraw/zinc/48/59/64/968485964.db2.gz PDDADKSLHYKJIL-UHFFFAOYSA-N -1 0 399.403 3.046 20 5 GGBDRM O=C([O-])c1cccc(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000591269558 968486035 /nfs/dbraw/zinc/48/60/35/968486035.db2.gz HOYKJTMKSFAWRH-KRWDZBQOSA-N -1 0 383.404 3.382 20 5 GGBDRM 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C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000593756114 974987816 /nfs/dbraw/zinc/98/78/16/974987816.db2.gz WDUAWTUMNVVPFF-RISCZKNCSA-N -1 0 386.408 3.259 20 5 GGBDRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000595245897 974993187 /nfs/dbraw/zinc/99/31/87/974993187.db2.gz TXIHTAUFOBYTFF-HZSPNIEDSA-N -1 0 378.450 3.422 20 5 GGBDRM O=C([O-])[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000595246223 974993223 /nfs/dbraw/zinc/99/32/23/974993223.db2.gz XMIOWYIBAIRSEW-KURKYZTESA-N -1 0 389.452 3.279 20 5 GGBDRM C[C@@](CCF)(NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000595253698 974994491 /nfs/dbraw/zinc/99/44/91/974994491.db2.gz WFNGRHNEVCZKQQ-IBGZPJMESA-N -1 0 389.383 3.140 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000595251940 974994624 /nfs/dbraw/zinc/99/46/24/974994624.db2.gz QCHFEWFYFUNDBD-VPZZIHKRSA-N -1 0 395.431 3.010 20 5 GGBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000595251939 974994714 /nfs/dbraw/zinc/99/47/14/974994714.db2.gz QCHFEWFYFUNDBD-VLXJIEOASA-N -1 0 395.431 3.010 20 5 GGBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000596091505 974999662 /nfs/dbraw/zinc/99/96/62/974999662.db2.gz LJJVHEADAFRCCF-CYBMUJFWSA-N -1 0 382.438 3.026 20 5 GGBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000597161742 975000058 /nfs/dbraw/zinc/00/00/58/975000058.db2.gz NQJFAQUNSFZUJG-WBVHZDCISA-N -1 0 388.351 3.082 20 5 GGBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598659591 975000919 /nfs/dbraw/zinc/00/09/19/975000919.db2.gz YGMFYEDFSBMMIO-AWEZNQCLSA-N -1 0 375.406 3.188 20 5 GGBDRM COc1cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000598659743 975001217 /nfs/dbraw/zinc/00/12/17/975001217.db2.gz HXYFXQFRCMXQMD-HOTGVXAUSA-N -1 0 384.388 3.342 20 5 GGBDRM CCOc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000598662923 975002031 /nfs/dbraw/zinc/00/20/31/975002031.db2.gz XINHSCPGTVEQKU-HOTGVXAUSA-N -1 0 384.388 3.424 20 5 GGBDRM COc1cc(C[NH+]2CCC(c3ncc(C(=O)[O-])s3)CC2)ccc1[N+](=O)[O-] ZINC000600676793 975006093 /nfs/dbraw/zinc/00/60/93/975006093.db2.gz WQQNIMMAAFQTCI-UHFFFAOYSA-N -1 0 377.422 3.138 20 5 GGBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000600678689 975006150 /nfs/dbraw/zinc/00/61/50/975006150.db2.gz RYLRPDBMHKJJPF-UHFFFAOYSA-N -1 0 375.406 3.336 20 5 GGBDRM Cc1ccc([C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C(=O)[O-])cc1 ZINC000600870756 975008492 /nfs/dbraw/zinc/00/84/92/975008492.db2.gz UMNFEWVUNSZMNF-GOSISDBHSA-N -1 0 382.416 3.310 20 5 GGBDRM CCOc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000600872740 975009329 /nfs/dbraw/zinc/00/93/29/975009329.db2.gz AUCNWZZUPZOCMC-AWEZNQCLSA-N -1 0 394.424 3.013 20 5 GGBDRM CCOc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000600872743 975009422 /nfs/dbraw/zinc/00/94/22/975009422.db2.gz AUCNWZZUPZOCMC-CQSZACIVSA-N -1 0 394.424 3.013 20 5 GGBDRM CCOCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000600875992 975010765 /nfs/dbraw/zinc/01/07/65/975010765.db2.gz MGRPTTWYECRJFP-LJQANCHMSA-N -1 0 398.415 3.459 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000600876169 975010926 /nfs/dbraw/zinc/01/09/26/975010926.db2.gz STRDAJUNPGEBQC-UHFFFAOYSA-N -1 0 389.433 3.386 20 5 GGBDRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000600876673 975010970 /nfs/dbraw/zinc/01/09/70/975010970.db2.gz GMQYJLIMAIZVSI-UHFFFAOYSA-N -1 0 388.424 3.433 20 5 GGBDRM CCOCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000600875991 975011133 /nfs/dbraw/zinc/01/11/33/975011133.db2.gz MGRPTTWYECRJFP-IBGZPJMESA-N -1 0 398.415 3.459 20 5 GGBDRM 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CC(C)OCCOC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001591726017 975679892 /nfs/dbraw/zinc/67/98/92/975679892.db2.gz AAGWAYNOAYUUPI-UHFFFAOYSA-N -1 0 386.832 3.357 20 5 GGBDRM CC(C)OCc1nc([C@@H](C)Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])no1 ZINC001591734839 975720572 /nfs/dbraw/zinc/72/05/72/975720572.db2.gz NXVCHBZMOHCJNQ-MRVPVSSYSA-N -1 0 384.776 3.428 20 5 GGBDRM CC(C)Oc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)ccc1[N+](=O)[O-] ZINC001591751129 975801512 /nfs/dbraw/zinc/80/15/12/975801512.db2.gz JKSVMGGHMRMUBF-INIZCTEOSA-N -1 0 376.340 3.077 20 5 GGBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001591790935 975979366 /nfs/dbraw/zinc/97/93/66/975979366.db2.gz BWGPDFOIJLQTCT-GOSISDBHSA-N -1 0 390.367 3.373 20 5 GGBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001591829460 976093052 /nfs/dbraw/zinc/09/30/52/976093052.db2.gz NQRPJDORKKGAGY-UHFFFAOYSA-N -1 0 390.421 3.189 20 5 GGBDRM CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])C(F)(F)F 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375.308 3.247 20 5 GGBDRM C[C@H](C[C@@H](C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001592454663 978166031 /nfs/dbraw/zinc/16/60/31/978166031.db2.gz YQXCLODVCTVEHD-VXGBXAGGSA-N -1 0 381.429 3.326 20 5 GGBDRM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001592486801 978270657 /nfs/dbraw/zinc/27/06/57/978270657.db2.gz CWTWBBAMIDDIDO-GFCCVEGCSA-N -1 0 381.429 3.327 20 5 GGBDRM C[C@](CCF)(NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001592498248 978309061 /nfs/dbraw/zinc/30/90/61/978309061.db2.gz QKIGXKQKNJLQFI-GOSISDBHSA-N -1 0 375.356 3.271 20 5 GGBDRM C[C@@](CCF)(NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592498394 978310455 /nfs/dbraw/zinc/31/04/55/978310455.db2.gz RDKRCBAZUJEAPH-IBGZPJMESA-N -1 0 390.367 3.107 20 5 GGBDRM CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736241308 978312960 /nfs/dbraw/zinc/31/29/60/978312960.db2.gz LFNIATAKRXQZOQ-UHFFFAOYSA-N -1 0 399.403 3.208 20 5 GGBDRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(OC)cc1 ZINC000736929080 978367087 /nfs/dbraw/zinc/36/70/87/978367087.db2.gz WJHKLDOKZBSEFB-MRXNPFEDSA-N -1 0 387.344 3.120 20 5 GGBDRM C[C@@H](OC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737707435 978434895 /nfs/dbraw/zinc/43/48/95/978434895.db2.gz UYSVTSOZLGUWRZ-SNVBAGLBSA-N -1 0 378.768 3.490 20 5 GGBDRM CN(Cc1cc(Br)ccc1F)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738004143 978464805 /nfs/dbraw/zinc/46/48/05/978464805.db2.gz HLRHUTPGPNZZRJ-UHFFFAOYSA-N -1 0 384.161 3.226 20 5 GGBDRM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000737990555 978464814 /nfs/dbraw/zinc/46/48/14/978464814.db2.gz VHODFWTVVOGCTA-UHFFFAOYSA-N -1 0 399.382 3.286 20 5 GGBDRM COc1cc(C=O)c(Br)cc1Oc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000738072881 978473587 /nfs/dbraw/zinc/47/35/87/978473587.db2.gz RJZYWNNEAPDNRY-UHFFFAOYSA-N -1 0 397.137 3.064 20 5 GGBDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000738169315 978495678 /nfs/dbraw/zinc/49/56/78/978495678.db2.gz VNXHJCPVIXYKLW-UHFFFAOYSA-N -1 0 385.332 3.250 20 5 GGBDRM Cc1[nH]nc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])c1[N+](=O)[O-] ZINC000738248382 978506937 /nfs/dbraw/zinc/50/69/37/978506937.db2.gz DVARXZDYJBVXHK-UHFFFAOYSA-N -1 0 382.332 3.369 20 5 GGBDRM C[C@@H](CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])C1CCCCC1 ZINC001592586545 978510116 /nfs/dbraw/zinc/51/01/16/978510116.db2.gz PHWRPELVGPGBKW-LBPRGKRZSA-N -1 0 384.454 3.130 20 5 GGBDRM C[C@H](CN(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC001592586650 978510598 /nfs/dbraw/zinc/51/05/98/978510598.db2.gz YWUCXYOKKPUYPX-GFCCVEGCSA-N -1 0 384.454 3.130 20 5 GGBDRM C[C@H](CN(Cc1ccccc1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001592602074 978538908 /nfs/dbraw/zinc/53/89/08/978538908.db2.gz JBGMPWFZAKKJLE-OAHLLOKOSA-N -1 0 398.415 3.307 20 5 GGBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000738663905 978584508 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CRVVIIKXXORJDK-XOUYHXJHSA-N -1 0 379.376 3.446 20 5 GGBDRM O=C([O-])C[C@@]1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCOC1 ZINC000823342514 978933030 /nfs/dbraw/zinc/93/30/30/978933030.db2.gz ASYJITAQXZXGKU-FQEVSTJZSA-N -1 0 399.403 3.092 20 5 GGBDRM COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC000832010580 979037059 /nfs/dbraw/zinc/03/70/59/979037059.db2.gz HSERJWZMNQHQJL-GFCCVEGCSA-N -1 0 389.383 3.156 20 5 GGBDRM C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001592723839 979233213 /nfs/dbraw/zinc/23/32/13/979233213.db2.gz XHYLGOZZWLSNAH-JTQLQIEISA-N -1 0 398.824 3.028 20 5 GGBDRM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])Oc1ccccc1Br ZINC001592729337 979242674 /nfs/dbraw/zinc/24/26/74/979242674.db2.gz NCHATJOWELKMTG-SECBINFHSA-N -1 0 396.197 3.330 20 5 GGBDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001595044580 979249538 /nfs/dbraw/zinc/24/95/38/979249538.db2.gz XVSLZPFSJMBHCO-UHFFFAOYSA-N -1 0 395.411 3.298 20 5 GGBDRM Nc1c(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000841502556 979305070 /nfs/dbraw/zinc/30/50/70/979305070.db2.gz JHXSFXBGEQOEAL-UHFFFAOYSA-N -1 0 384.392 3.118 20 5 GGBDRM CC[C@@H](C)C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000844157679 979346578 /nfs/dbraw/zinc/34/65/78/979346578.db2.gz KIBNCFFVQIYPRZ-XCBNKYQSSA-N -1 0 391.193 3.116 20 5 GGBDRM COc1ccc(CN(C)c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1OC(F)F ZINC000844206679 979353713 /nfs/dbraw/zinc/35/37/13/979353713.db2.gz PARZXVGLZOHFJL-UHFFFAOYSA-N -1 0 396.346 3.468 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000844206930 979354470 /nfs/dbraw/zinc/35/44/70/979354470.db2.gz PEIXDPACQQKOPN-HNNXBMFYSA-N -1 0 384.388 3.335 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000844207126 979354962 /nfs/dbraw/zinc/35/49/62/979354962.db2.gz ZOXFCMASXBZUNE-UHFFFAOYSA-N -1 0 380.404 3.482 20 5 GGBDRM O=C([O-])c1cnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000844207837 979356702 /nfs/dbraw/zinc/35/67/02/979356702.db2.gz BPEOCMLJGOOSNK-MRXNPFEDSA-N -1 0 391.811 3.291 20 5 GGBDRM COc1ccc(OC2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000844208521 979358864 /nfs/dbraw/zinc/35/88/64/979358864.db2.gz QFPVZDRIZAPJPP-UHFFFAOYSA-N -1 0 386.404 3.278 20 5 GGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](O)c2ccccc2C(F)(F)F)n1 ZINC000844208981 979360022 /nfs/dbraw/zinc/36/00/22/979360022.db2.gz XBAJEHKFYIHLCR-GFCCVEGCSA-N -1 0 385.298 3.161 20 5 GGBDRM Cc1cccc(C2(O)CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)c1C ZINC000844209247 979361130 /nfs/dbraw/zinc/36/11/30/979361130.db2.gz JOFIJAICZQCJKG-UHFFFAOYSA-N -1 0 384.432 3.327 20 5 GGBDRM CCO[C@@H](C)c1nc(CN(C)c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000844211458 979366023 /nfs/dbraw/zinc/36/60/23/979366023.db2.gz ABSDKLIBGXJBLF-NSHDSACASA-N -1 0 379.438 3.412 20 5 GGBDRM Cc1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000844211717 979366976 /nfs/dbraw/zinc/36/69/76/979366976.db2.gz GZTWTQLUTIVREG-FNORWQNLSA-N -1 0 383.408 3.003 20 5 GGBDRM O=C([O-])Cc1ccc(N2CC[C@H](OCCCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844212723 979369766 /nfs/dbraw/zinc/36/97/66/979369766.db2.gz NBDPZVUTBJWPEJ-SFHVURJKSA-N -1 0 384.432 3.450 20 5 GGBDRM C[C@](COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)(C(=O)[O-])c1ccccc1 ZINC001592765354 979370391 /nfs/dbraw/zinc/37/03/91/979370391.db2.gz RXOIGYXUWHOZQS-HXUWFJFHSA-N -1 0 382.372 3.135 20 5 GGBDRM C[C@@H](c1ccsc1)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213140 979371508 /nfs/dbraw/zinc/37/15/08/979371508.db2.gz UXDDAEPKLIBGHG-ZDUSSCGKSA-N -1 0 375.450 3.167 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])c1 ZINC000844213123 979371705 /nfs/dbraw/zinc/37/17/05/979371705.db2.gz UPGIWKKDKWQDSJ-GFCCVEGCSA-N -1 0 398.341 3.279 20 5 GGBDRM O=C([O-])Cc1ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])c1 ZINC000844213124 979371916 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/nfs/dbraw/zinc/67/21/94/979672194.db2.gz JDSSHTXRRJTKNF-UHFFFAOYSA-N -1 0 394.431 3.025 20 5 GGBDRM CC[C@](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)(C(=O)[O-])c1ccccc1 ZINC001595160073 979682672 /nfs/dbraw/zinc/68/26/72/979682672.db2.gz YTRNJXASWHIYNF-HXUWFJFHSA-N -1 0 381.388 3.239 20 5 GGBDRM C[C@H](Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1)C(=O)[O-] ZINC001592859532 979683373 /nfs/dbraw/zinc/68/33/73/979683373.db2.gz UVUJVYVJPUFJNY-LLVKDONJSA-N -1 0 376.340 3.015 20 5 GGBDRM CC[C@](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595160777 979687663 /nfs/dbraw/zinc/68/76/63/979687663.db2.gz QKAXVIZMZSKXHH-GOSISDBHSA-N -1 0 376.796 3.411 20 5 GGBDRM C[C@@H](Cc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1)C(=O)[O-] ZINC001592860555 979691453 /nfs/dbraw/zinc/69/14/53/979691453.db2.gz JLVGLNXKCIYCBS-ZDUSSCGKSA-N -1 0 399.403 3.153 20 5 GGBDRM CC[C@](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595163056 979693220 /nfs/dbraw/zinc/69/32/20/979693220.db2.gz KEGXMUMBCFKAPT-GOSISDBHSA-N -1 0 376.796 3.411 20 5 GGBDRM C[C@H](Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1)C(=O)[O-] ZINC001592872315 979728889 /nfs/dbraw/zinc/72/88/89/979728889.db2.gz HPWOQCSPLPVSDS-LLVKDONJSA-N -1 0 389.383 3.315 20 5 GGBDRM C[C@H](Cc1cccc(Br)c1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001592883443 979761180 /nfs/dbraw/zinc/76/11/80/979761180.db2.gz RIFFMDKJQIBRNJ-SECBINFHSA-N -1 0 380.198 3.494 20 5 GGBDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000864195493 979857001 /nfs/dbraw/zinc/85/70/01/979857001.db2.gz GPZLGOQHBIPBJJ-LJQANCHMSA-N -1 0 390.823 3.383 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595211236 979989684 /nfs/dbraw/zinc/98/96/84/979989684.db2.gz FHWGTCAWBNVMHT-OAHLLOKOSA-N -1 0 382.416 3.447 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595211235 979990002 /nfs/dbraw/zinc/99/00/02/979990002.db2.gz FHWGTCAWBNVMHT-HNNXBMFYSA-N -1 0 382.416 3.447 20 5 GGBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001595212430 979999966 /nfs/dbraw/zinc/99/99/66/979999966.db2.gz OPQJKUCVMJZVMK-BEFAXECRSA-N -1 0 382.416 3.374 20 5 GGBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC001595213213 980005093 /nfs/dbraw/zinc/00/50/93/980005093.db2.gz SZAIMFIYSHXPOU-KSSFIOAISA-N -1 0 386.404 3.114 20 5 GGBDRM CC[C@](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC001595232826 980126963 /nfs/dbraw/zinc/12/69/63/980126963.db2.gz JTFWKQUZLCAQMW-QGZVFWFLSA-N -1 0 378.331 3.193 20 5 GGBDRM C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592989577 980174501 /nfs/dbraw/zinc/17/45/01/980174501.db2.gz IFSCVGQNEKRQDB-KSSFIOAISA-N -1 0 384.432 3.321 20 5 GGBDRM C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592994416 980203941 /nfs/dbraw/zinc/20/39/41/980203941.db2.gz XSRMFZYOVHLQPJ-BLLLJJGKSA-N -1 0 392.358 3.135 20 5 GGBDRM C[C@@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592994418 980204171 /nfs/dbraw/zinc/20/41/71/980204171.db2.gz XSRMFZYOVHLQPJ-MLGOLLRUSA-N -1 0 392.358 3.135 20 5 GGBDRM C[C@](NC(=O)/C=C\c1ccc2[nH]ccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010064 980239569 /nfs/dbraw/zinc/23/95/69/980239569.db2.gz AFTGPQAWLSZCQQ-LQOHYYORSA-N -1 0 379.372 3.206 20 5 GGBDRM C[C@@](NC(=O)/C=C\c1nc2ccccc2s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593010826 980244072 /nfs/dbraw/zinc/24/40/72/980244072.db2.gz KEYULZOLCLTCBK-VJIACCKLSA-N -1 0 397.412 3.334 20 5 GGBDRM C[C@](NC(=O)CCSc1ccccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593019338 980268846 /nfs/dbraw/zinc/26/88/46/980268846.db2.gz QOJPRTAKDQIOJA-GOSISDBHSA-N -1 0 392.408 3.332 20 5 GGBDRM C[C@](NC(=O)CCOc1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593019607 980271568 /nfs/dbraw/zinc/27/15/68/980271568.db2.gz VBMDNCGIQOVCAJ-GOSISDBHSA-N -1 0 392.795 3.133 20 5 GGBDRM 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CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](F)C[C@H]2C(=O)[O-])cc1OC ZINC001594964624 982719730 /nfs/dbraw/zinc/71/97/30/982719730.db2.gz NHFLVYUMVBGLTB-WHOFXGATSA-N -1 0 384.404 3.025 20 5 GGBDRM CC[C@H](C)NC(=O)c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001594991175 982852385 /nfs/dbraw/zinc/85/23/85/982852385.db2.gz BRRBQWJORLKSRN-ZDUSSCGKSA-N -1 0 385.420 3.362 20 5 GGBDRM CCCN(CCc1ccccn1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595883852 982903786 /nfs/dbraw/zinc/90/37/86/982903786.db2.gz DCNHSLOVPLQRGK-UHFFFAOYSA-N -1 0 386.408 3.483 20 5 GGBDRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC001116296263 982924824 /nfs/dbraw/zinc/92/48/24/982924824.db2.gz XPSMLGHBHNTHPD-KRWDZBQOSA-N -1 0 383.404 3.423 20 5 GGBDRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC001116296264 982925014 /nfs/dbraw/zinc/92/50/14/982925014.db2.gz XPSMLGHBHNTHPD-QGZVFWFLSA-N -1 0 383.404 3.423 20 5 GGBDRM 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C[C@](NCc1cnc(-c2ccncc2)s1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593309810 994767749 /nfs/dbraw/zinc/76/77/49/994767749.db2.gz BHXWBJATDQAPRH-GOSISDBHSA-N -1 0 384.417 3.203 20 5 GGBDRM CNc1c(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)cccc1[N+](=O)[O-] ZINC001598676907 994860882 /nfs/dbraw/zinc/86/08/82/994860882.db2.gz FOLRCHLVZYDHGV-CQSZACIVSA-N -1 0 383.404 3.185 20 5 GGBDRM CNc1c(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cccc1[N+](=O)[O-] ZINC001598676906 994860983 /nfs/dbraw/zinc/86/09/83/994860983.db2.gz FOLRCHLVZYDHGV-AWEZNQCLSA-N -1 0 383.404 3.185 20 5 GGBDRM C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1ccc(OCC(=O)[O-])cc1 ZINC001593360806 995026513 /nfs/dbraw/zinc/02/65/13/995026513.db2.gz XZXWCHIJNMXZKS-NSHDSACASA-N -1 0 385.376 3.116 20 5 GGBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC001593362417 995031957 /nfs/dbraw/zinc/03/19/57/995031957.db2.gz HAHVDJZILYLLOE-LVCFMKKZSA-N -1 0 393.197 3.418 20 5 GGBDRM C[C@](O)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1Br ZINC001593417443 995204916 /nfs/dbraw/zinc/20/49/16/995204916.db2.gz TVSTURDVZGRTJB-INIZCTEOSA-N -1 0 395.209 3.375 20 5 GGBDRM COC(=O)[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC001598705333 995278331 /nfs/dbraw/zinc/27/83/31/995278331.db2.gz ZGVJCOOKRQFJGY-HQPKTYMTSA-N -1 0 376.409 3.474 20 5 GGBDRM COC(=O)[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC001598705335 995278488 /nfs/dbraw/zinc/27/84/88/995278488.db2.gz ZGVJCOOKRQFJGY-WKTRQSJXSA-N -1 0 376.409 3.474 20 5 GGBDRM COC(=O)[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001598707211 995301831 /nfs/dbraw/zinc/30/18/31/995301831.db2.gz KARCMGXHLDUOEP-IBGZPJMESA-N -1 0 394.383 3.450 20 5 GGBDRM C[C@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 ZINC001593552904 995632542 /nfs/dbraw/zinc/63/25/42/995632542.db2.gz IIBFZHYNEOCSLM-VIFPVBQESA-N -1 0 392.751 3.130 20 5 GGBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001593556854 995647740 /nfs/dbraw/zinc/64/77/40/995647740.db2.gz ZFISOIFTMNXIOP-GFCCVEGCSA-N -1 0 381.344 3.397 20 5 GGBDRM C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001593562124 995649861 /nfs/dbraw/zinc/64/98/61/995649861.db2.gz FOHWLCUKELYORD-RAIGVLPGSA-N -1 0 389.364 3.140 20 5 GGBDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001593578424 995686491 /nfs/dbraw/zinc/68/64/91/995686491.db2.gz AMMVYHSTCYPGNA-SSDOTTSWSA-N -1 0 398.780 3.192 20 5 GGBDRM C[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001593592899 995724374 /nfs/dbraw/zinc/72/43/74/995724374.db2.gz HRAJZYVUPFDNCB-LLVKDONJSA-N -1 0 397.343 3.190 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001593619461 995861511 /nfs/dbraw/zinc/86/15/11/995861511.db2.gz FTMLFXUUNKCGOG-SNVBAGLBSA-N -1 0 379.752 3.248 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001593619460 995861542 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QWEXUQYSZSRKSE-SNVBAGLBSA-N -1 0 382.800 3.014 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001593619912 995865481 /nfs/dbraw/zinc/86/54/81/995865481.db2.gz SSOCAJZHVRLSME-DINDLPBHSA-N -1 0 384.816 3.165 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001593620151 995868178 /nfs/dbraw/zinc/86/81/78/995868178.db2.gz XBXNCPAIFQFZPF-QMMMGPOBSA-N -1 0 384.797 3.092 20 5 GGBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001593620329 995869915 /nfs/dbraw/zinc/86/99/15/995869915.db2.gz ZNLADCYQCJYQBP-GFCCVEGCSA-N -1 0 392.795 3.129 20 5 GGBDRM C[C@@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001593624230 995884989 /nfs/dbraw/zinc/88/49/89/995884989.db2.gz IGWLFQIWLFMYSC-MNOVXSKESA-N -1 0 376.340 3.328 20 5 GGBDRM C[C@@H](Oc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1F)C(=O)[O-] ZINC001593627747 995900185 /nfs/dbraw/zinc/90/01/85/995900185.db2.gz XHCQIXMAEHLPIQ-LLVKDONJSA-N -1 0 376.340 3.157 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593666888 996053885 /nfs/dbraw/zinc/05/38/85/996053885.db2.gz CVIMNMBXMZVFIU-VIFPVBQESA-N -1 0 392.345 3.287 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001593666860 996053957 /nfs/dbraw/zinc/05/39/57/996053957.db2.gz CBLGQPBQOUTYNF-TZMCWYRMSA-N -1 0 386.429 3.366 20 5 GGBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001593667193 996056055 /nfs/dbraw/zinc/05/60/55/996056055.db2.gz LAPDDINWEMPKHK-SECBINFHSA-N -1 0 386.389 3.289 20 5 GGBDRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593694546 996151139 /nfs/dbraw/zinc/15/11/39/996151139.db2.gz XUCNIDANNZKAED-JTQLQIEISA-N -1 0 394.330 3.170 20 5 GGBDRM C[C@H](c1cccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC001593703152 996179067 /nfs/dbraw/zinc/17/90/67/996179067.db2.gz KSKQXFFVJCJUOO-CQSZACIVSA-N -1 0 385.420 3.359 20 5 GGBDRM C[C@@H](c1cccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c1)N1CCOCC1 ZINC001593703150 996179256 /nfs/dbraw/zinc/17/92/56/996179256.db2.gz KSKQXFFVJCJUOO-AWEZNQCLSA-N -1 0 385.420 3.359 20 5 GGBDRM C[C@H](c1nccs1)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001593738237 996344254 /nfs/dbraw/zinc/34/42/54/996344254.db2.gz QYBYPHAIRSGWJH-SNVBAGLBSA-N -1 0 396.856 3.286 20 5 GGBDRM C[C@]1(C(=O)[O-])CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001593769925 996457539 /nfs/dbraw/zinc/45/75/39/996457539.db2.gz VHDKXWAZKQABCI-HNNXBMFYSA-N -1 0 389.330 3.010 20 5 GGBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001593769927 996457720 /nfs/dbraw/zinc/45/77/20/996457720.db2.gz VHDKXWAZKQABCI-OAHLLOKOSA-N -1 0 389.330 3.010 20 5 GGBDRM COC(=O)/C=C/c1ccc(NCc2ccc(OC)c(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001598834033 996465844 /nfs/dbraw/zinc/46/58/44/996465844.db2.gz GGZUFTVXNUVACS-VMPITWQZSA-N -1 0 386.360 3.100 20 5 GGBDRM COC(=O)/C=C\c1ccc(Nc2ccc(OCCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001598834912 996475040 /nfs/dbraw/zinc/47/50/40/996475040.db2.gz SHBPFUONMCGLPZ-OQFOIZHKSA-N -1 0 386.360 3.378 20 5 GGBDRM COC(=O)/C=C\c1ccc(NC[C@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])c1 ZINC001598835013 996475976 /nfs/dbraw/zinc/47/59/76/996475976.db2.gz TVWPOGSVWDBGJU-WWRUEGTHSA-N -1 0 376.409 3.474 20 5 GGBDRM CC1(C(=O)[O-])CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC001593804716 996532603 /nfs/dbraw/zinc/53/26/03/996532603.db2.gz AXOOMXCWUACHRP-UHFFFAOYSA-N -1 0 378.450 3.424 20 5 GGBDRM CC1(C)[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC001593837777 996596063 /nfs/dbraw/zinc/59/60/63/996596063.db2.gz LCGUDEWKAGLCLS-SJORKVTESA-N -1 0 384.388 3.095 20 5 GGBDRM CC1(C)CC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC(C)(C)C1 ZINC001593854179 996635269 /nfs/dbraw/zinc/63/52/69/996635269.db2.gz SMZBXYOWTFXTBR-UHFFFAOYSA-N -1 0 398.481 3.424 20 5 GGBDRM 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3.034 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c([N+](=O)[O-])c1 ZINC000509393142 566298336 /nfs/dbraw/zinc/29/83/36/566298336.db2.gz WMIDXGJRWUCFPR-UHFFFAOYSA-N -1 0 375.328 3.426 20 5 GGBDRM CCc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000556467350 566305293 /nfs/dbraw/zinc/30/52/93/566305293.db2.gz JJDXAURHIUABFM-UHFFFAOYSA-N -1 0 392.256 3.177 20 5 GGBDRM Cc1csc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462456643 566306450 /nfs/dbraw/zinc/30/64/50/566306450.db2.gz GVPLTRSSMTUFDK-UHFFFAOYSA-N -1 0 382.250 3.145 20 5 GGBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000462481997 566310797 /nfs/dbraw/zinc/31/07/97/566310797.db2.gz UTMFIAGHPFSBPZ-MRVPVSSYSA-N -1 0 376.221 3.336 20 5 GGBDRM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462500772 566314427 /nfs/dbraw/zinc/31/44/27/566314427.db2.gz JHSYGMPWEDRXNG-UHFFFAOYSA-N -1 0 396.277 3.453 20 5 GGBDRM COc1c(Cl)cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000509561994 566316252 /nfs/dbraw/zinc/31/62/52/566316252.db2.gz WUEHDNHOIRXQQM-UHFFFAOYSA-N -1 0 393.204 3.417 20 5 GGBDRM CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])n1 ZINC000535692212 566321241 /nfs/dbraw/zinc/32/12/41/566321241.db2.gz XRGVXRGVNYERGB-UHFFFAOYSA-N -1 0 398.750 3.284 20 5 GGBDRM CCc1cnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462599575 566332470 /nfs/dbraw/zinc/33/24/70/566332470.db2.gz BIRQDAVZFCFSHF-UHFFFAOYSA-N -1 0 396.277 3.399 20 5 GGBDRM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462700263 566342427 /nfs/dbraw/zinc/34/24/27/566342427.db2.gz ATBHMBSAGVVBSZ-ZYHUDNBSSA-N -1 0 383.253 3.138 20 5 GGBDRM CC[C@@H](CS(=O)(=O)[N-]c1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1)OC ZINC000421229432 566357529 /nfs/dbraw/zinc/35/75/29/566357529.db2.gz SEUAJTSRRXHMMK-LBPRGKRZSA-N -1 0 385.467 3.193 20 5 GGBDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000446633611 566358701 /nfs/dbraw/zinc/35/87/01/566358701.db2.gz ZMNNKTKBJYQAOU-UHFFFAOYSA-N -1 0 384.435 3.135 20 5 GGBDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1cccs1 ZINC000446957895 566373633 /nfs/dbraw/zinc/37/36/33/566373633.db2.gz BPNLKOFEKLCBDE-UHFFFAOYSA-N -1 0 378.435 3.410 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(Br)c1 ZINC000447010200 566378025 /nfs/dbraw/zinc/37/80/25/566378025.db2.gz HEMXROXTSNSFQJ-UHFFFAOYSA-N -1 0 397.210 3.034 20 5 GGBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccncc1F ZINC000510611214 566398836 /nfs/dbraw/zinc/39/88/36/566398836.db2.gz APBMALZSOAIKTG-SSDOTTSWSA-N -1 0 394.211 3.475 20 5 GGBDRM Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000447341242 566405611 /nfs/dbraw/zinc/40/56/11/566405611.db2.gz OBRSCDCKHZHZTI-UHFFFAOYSA-N -1 0 384.797 3.364 20 5 GGBDRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000447342236 566405662 /nfs/dbraw/zinc/40/56/62/566405662.db2.gz INGNNAPIGZTUER-UHFFFAOYSA-N -1 0 384.797 3.364 20 5 GGBDRM Cc1ccc(-c2cc(=NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)[nH][n-]2)o1 ZINC000447799259 566431943 /nfs/dbraw/zinc/43/19/43/566431943.db2.gz HAPZIGJYRUZQHU-UHFFFAOYSA-N -1 0 391.181 3.323 20 5 GGBDRM COCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000511129982 566441191 /nfs/dbraw/zinc/44/11/91/566441191.db2.gz HQQLBGSJVZWOOF-UHFFFAOYSA-N -1 0 386.813 3.074 20 5 GGBDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000485213439 566483811 /nfs/dbraw/zinc/48/38/11/566483811.db2.gz SVZHGDGJHZIJIT-CQSZACIVSA-N -1 0 393.193 3.221 20 5 GGBDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000485213437 566484185 /nfs/dbraw/zinc/48/41/85/566484185.db2.gz SVZHGDGJHZIJIT-AWEZNQCLSA-N -1 0 393.193 3.221 20 5 GGBDRM COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511736957 566485196 /nfs/dbraw/zinc/48/51/96/566485196.db2.gz YAZPZYYMXRYRIN-UHFFFAOYSA-N -1 0 386.813 3.074 20 5 GGBDRM COc1cc([N+](=O)[O-])ccc1CSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000485378308 566492150 /nfs/dbraw/zinc/49/21/50/566492150.db2.gz MYNSTMYTAFHRNQ-UHFFFAOYSA-N -1 0 380.373 3.143 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccn(CCC(F)(F)F)n1 ZINC000424087687 566510896 /nfs/dbraw/zinc/51/08/96/566510896.db2.gz RVGQRJASPAOKKM-UHFFFAOYSA-N -1 0 398.750 3.198 20 5 GGBDRM O=C([O-])c1cccc(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000538577391 566521926 /nfs/dbraw/zinc/52/19/26/566521926.db2.gz SAPXVANKTGVGJX-UHFFFAOYSA-N -1 0 393.193 3.028 20 5 GGBDRM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000578485834 566526800 /nfs/dbraw/zinc/52/68/00/566526800.db2.gz HIIIFQUQVIMMKP-UHFFFAOYSA-N -1 0 394.356 3.143 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000559153654 566529660 /nfs/dbraw/zinc/52/96/60/566529660.db2.gz YSQGVZVEZDYPRZ-UHFFFAOYSA-N -1 0 379.728 3.045 20 5 GGBDRM COC(=O)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000559144636 566529890 /nfs/dbraw/zinc/52/98/90/566529890.db2.gz RWEKKIUEWCBKGB-HNNXBMFYSA-N -1 0 395.209 3.067 20 5 GGBDRM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465489617 566533363 /nfs/dbraw/zinc/53/33/63/566533363.db2.gz HFOJEFZSKJYQIE-UHFFFAOYSA-N -1 0 384.841 3.434 20 5 GGBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000538753745 566533377 /nfs/dbraw/zinc/53/33/77/566533377.db2.gz FINOTXHGHYWSFT-UHFFFAOYSA-N -1 0 379.419 3.152 20 5 GGBDRM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000538753289 566533389 /nfs/dbraw/zinc/53/33/89/566533389.db2.gz DVGRYSGZKIUZOA-UHFFFAOYSA-N -1 0 384.797 3.364 20 5 GGBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)ccc1[O-] ZINC000603780006 566540433 /nfs/dbraw/zinc/54/04/33/566540433.db2.gz RSTQFEXWZFSSCK-UHFFFAOYSA-N -1 0 377.403 3.225 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000512589675 566544379 /nfs/dbraw/zinc/54/43/79/566544379.db2.gz ZTYHGBOSHQNUPI-UHFFFAOYSA-N -1 0 378.797 3.235 20 5 GGBDRM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000538969697 566552264 /nfs/dbraw/zinc/55/22/64/566552264.db2.gz NFEWZUXVZJPNHW-MFKMUULPSA-N -1 0 397.280 3.384 20 5 GGBDRM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000604478073 566568032 /nfs/dbraw/zinc/56/80/32/566568032.db2.gz QQUKKSNXMCMFBO-UHFFFAOYSA-N -1 0 383.813 3.032 20 5 GGBDRM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(Cl)c1 ZINC000466541428 566582807 /nfs/dbraw/zinc/58/28/07/566582807.db2.gz JKCAWBNECMTNKA-UHFFFAOYSA-N -1 0 380.731 3.144 20 5 GGBDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000539553377 566589062 /nfs/dbraw/zinc/58/90/62/566589062.db2.gz YSMRSMYHESUYIA-UHFFFAOYSA-N -1 0 377.809 3.328 20 5 GGBDRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000539571125 566590152 /nfs/dbraw/zinc/59/01/52/566590152.db2.gz YXQFDANJRQBRKO-CQSZACIVSA-N -1 0 383.187 3.327 20 5 GGBDRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000539571124 566590371 /nfs/dbraw/zinc/59/03/71/566590371.db2.gz YXQFDANJRQBRKO-AWEZNQCLSA-N -1 0 383.187 3.327 20 5 GGBDRM CC(C)n1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000579311189 566597679 /nfs/dbraw/zinc/59/76/79/566597679.db2.gz SKGHYLHWZPLKBO-UHFFFAOYSA-N -1 0 379.225 3.480 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccsc3)nn2C)c([N+](=O)[O-])c1 ZINC000486559846 566597921 /nfs/dbraw/zinc/59/79/21/566597921.db2.gz BKPCULSXQRAZJC-UHFFFAOYSA-N -1 0 378.435 3.166 20 5 GGBDRM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466870806 566602808 /nfs/dbraw/zinc/60/28/08/566602808.db2.gz OOWGALVKMDVYNG-FZMZJTMJSA-N -1 0 397.280 3.384 20 5 GGBDRM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466870808 566603369 /nfs/dbraw/zinc/60/33/69/566603369.db2.gz OOWGALVKMDVYNG-SMDDNHRTSA-N -1 0 397.280 3.384 20 5 GGBDRM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466870807 566603538 /nfs/dbraw/zinc/60/35/38/566603538.db2.gz OOWGALVKMDVYNG-RISCZKNCSA-N -1 0 397.280 3.384 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc1[N+](=O)[O-] ZINC000466961249 566610141 /nfs/dbraw/zinc/61/01/41/566610141.db2.gz HYFYZWQBEPYBQF-UHFFFAOYSA-N -1 0 378.435 3.464 20 5 GGBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1[N+](=O)[O-] ZINC000466962994 566612202 /nfs/dbraw/zinc/61/22/02/566612202.db2.gz YSRNLGCDFBIONP-UHFFFAOYSA-N -1 0 378.378 3.409 20 5 GGBDRM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCS1 ZINC000467758577 566662945 /nfs/dbraw/zinc/66/29/45/566662945.db2.gz OUAITSHOANXGGL-GFCCVEGCSA-N -1 0 385.294 3.466 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c(Cl)c1Cl ZINC000467770441 566664028 /nfs/dbraw/zinc/66/40/28/566664028.db2.gz MNUNKYKMEVIFDY-UHFFFAOYSA-N -1 0 393.204 3.417 20 5 GGBDRM O=C(Nc1nn[nH]n1)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467792080 566667714 /nfs/dbraw/zinc/66/77/14/566667714.db2.gz AEMDNKSOEZYXQO-UHFFFAOYSA-N -1 0 376.785 3.165 20 5 GGBDRM Cc1ccc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000467793009 566668399 /nfs/dbraw/zinc/66/83/99/566668399.db2.gz OJRGLCQYXLHEQG-XJKSGUPXSA-N -1 0 382.463 3.163 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cn2)c([N+](=O)[O-])c1 ZINC000426189041 566696974 /nfs/dbraw/zinc/69/69/74/566696974.db2.gz XUQFONYOMWFIGB-UHFFFAOYSA-N -1 0 386.227 3.170 20 5 GGBDRM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000515345681 566706983 /nfs/dbraw/zinc/70/69/83/566706983.db2.gz KGTMFURRZFBPIZ-QMMMGPOBSA-N -1 0 376.221 3.336 20 5 GGBDRM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000468526371 566708252 /nfs/dbraw/zinc/70/82/52/566708252.db2.gz CLVXYJWNLLSXAD-UHFFFAOYSA-N -1 0 384.797 3.144 20 5 GGBDRM COc1cc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C ZINC000580796026 566722916 /nfs/dbraw/zinc/72/29/16/566722916.db2.gz QETDYBOPRVEHGW-UHFFFAOYSA-N -1 0 386.813 3.380 20 5 GGBDRM CCCSC[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000426825525 566732824 /nfs/dbraw/zinc/73/28/24/566732824.db2.gz AVWCAUDNVHBMPB-AWEZNQCLSA-N -1 0 381.479 3.404 20 5 GGBDRM CCCN=c1[n-]nc(Sc2ncc([N+](=O)[O-])c(C)c2Br)s1 ZINC000541579265 566735215 /nfs/dbraw/zinc/73/52/15/566735215.db2.gz UZJRIJHCLSECMP-UHFFFAOYSA-N -1 0 390.288 3.307 20 5 GGBDRM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000468862937 566738685 /nfs/dbraw/zinc/73/86/85/566738685.db2.gz HQUUUVVSDIWXGY-UHFFFAOYSA-N -1 0 386.813 3.456 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000608877090 566740589 /nfs/dbraw/zinc/74/05/89/566740589.db2.gz QQNYYIOXPOUUJI-UHFFFAOYSA-N -1 0 380.769 3.099 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(CC(F)(F)F)cs1 ZINC000451053954 566743874 /nfs/dbraw/zinc/74/38/74/566743874.db2.gz GOWZXEMGRKVKMH-UHFFFAOYSA-N -1 0 381.357 3.265 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2nc(CC(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000451052792 566744135 /nfs/dbraw/zinc/74/41/35/566744135.db2.gz BZTXNROEYIHCJO-UHFFFAOYSA-N -1 0 381.357 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ZINC000262437182 600953522 /nfs/dbraw/zinc/95/35/22/600953522.db2.gz TXQLKHPGPQMDFE-AEFFLSMTSA-N -1 0 384.388 3.021 20 5 GGBDRM Cc1nn(Cc2ccc(C(=O)O[C@H](CC(C)C)C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000833017017 600954797 /nfs/dbraw/zinc/95/47/97/600954797.db2.gz RHROXVZUAXWCBP-MRXNPFEDSA-N -1 0 389.408 3.113 20 5 GGBDRM Cc1nn(Cc2ccc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000833017016 600954932 /nfs/dbraw/zinc/95/49/32/600954932.db2.gz RHROXVZUAXWCBP-INIZCTEOSA-N -1 0 389.408 3.113 20 5 GGBDRM CCOc1ccc(NC(=O)CN2C[C@@H](CC(=O)[O-])c3ccccc32)c([N+](=O)[O-])c1 ZINC000737203475 600959201 /nfs/dbraw/zinc/95/92/01/600959201.db2.gz NCYPBBMRMRRPQJ-CYBMUJFWSA-N -1 0 399.403 3.011 20 5 GGBDRM CN(C)[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000830581070 600959777 /nfs/dbraw/zinc/95/97/77/600959777.db2.gz LIBDXNBMYMJYCM-HNNXBMFYSA-N -1 0 395.774 3.327 20 5 GGBDRM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000262466124 600961299 /nfs/dbraw/zinc/96/12/99/600961299.db2.gz YYGNXCXIEADXDW-DNVCBOLYSA-N -1 0 398.415 3.499 20 5 GGBDRM O=C([O-])C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc21 ZINC000739653195 600966608 /nfs/dbraw/zinc/96/66/08/600966608.db2.gz JKCBIUWGZFYFDO-ZDUSSCGKSA-N -1 0 380.360 3.223 20 5 GGBDRM COc1ccc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000832245674 600972763 /nfs/dbraw/zinc/97/27/63/600972763.db2.gz OCWYLHJMKNXHRC-CQSZACIVSA-N -1 0 398.293 3.178 20 5 GGBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000738526869 600982081 /nfs/dbraw/zinc/98/20/81/600982081.db2.gz VVDYSOQQYWIQHF-LBPRGKRZSA-N -1 0 386.360 3.094 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCOc2ccc(Oc3ccccc3)cc2)c1 ZINC000740090100 600984561 /nfs/dbraw/zinc/98/45/61/600984561.db2.gz SAQOQYNOODYZGK-UHFFFAOYSA-N -1 0 396.355 3.326 20 5 GGBDRM O=C([O-])c1ccc(OC(=O)Cc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000739344708 601000726 /nfs/dbraw/zinc/00/07/26/601000726.db2.gz HMKQWNVZXIRPTB-UHFFFAOYSA-N -1 0 380.150 3.204 20 5 GGBDRM CC[C@](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)(C(=O)[O-])c1ccccc1 ZINC000828989351 601003828 /nfs/dbraw/zinc/00/38/28/601003828.db2.gz XYJJMRNKJVRKPN-LJQANCHMSA-N -1 0 382.376 3.125 20 5 GGBDRM CC[C@@](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)(C(=O)[O-])c1ccccc1 ZINC000828989350 601003865 /nfs/dbraw/zinc/00/38/65/601003865.db2.gz XYJJMRNKJVRKPN-IBGZPJMESA-N -1 0 382.376 3.125 20 5 GGBDRM O=C([O-])c1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833319447 601008033 /nfs/dbraw/zinc/00/80/33/601008033.db2.gz KKJSBGGIPKOVQK-UHFFFAOYSA-N -1 0 385.376 3.368 20 5 GGBDRM CCNc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000737128964 601025063 /nfs/dbraw/zinc/02/50/63/601025063.db2.gz GFXWUBZRLHBMIZ-UHFFFAOYSA-N -1 0 375.356 3.287 20 5 GGBDRM O=C([O-])Cc1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833266965 601033501 /nfs/dbraw/zinc/03/35/01/601033501.db2.gz VDDUHIGEGCHECT-UHFFFAOYSA-N -1 0 399.403 3.297 20 5 GGBDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000827049505 601033771 /nfs/dbraw/zinc/03/37/71/601033771.db2.gz VXYHUYPRRZOWIO-UHFFFAOYSA-N -1 0 387.392 3.444 20 5 GGBDRM O=C([O-])c1cnc(N(C(=O)CSc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000740260347 601038662 /nfs/dbraw/zinc/03/86/62/601038662.db2.gz QSFOUKQWJIIBNU-UHFFFAOYSA-N -1 0 379.419 3.037 20 5 GGBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000485755083 601044272 /nfs/dbraw/zinc/04/42/72/601044272.db2.gz PQBYAOSCLZCSRC-SNVBAGLBSA-N -1 0 378.768 3.144 20 5 GGBDRM Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)cc1 ZINC000738278382 601045240 /nfs/dbraw/zinc/04/52/40/601045240.db2.gz NCXFHWLJEXOYDP-MRXNPFEDSA-N -1 0 383.404 3.000 20 5 GGBDRM CCc1ccc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000830232163 601057879 /nfs/dbraw/zinc/05/78/79/601057879.db2.gz CCNWIVBPDQNAPV-CQSZACIVSA-N -1 0 397.431 3.206 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC000486407801 601061523 /nfs/dbraw/zinc/06/15/23/601061523.db2.gz MYRHSJZIXQLDSD-GOSISDBHSA-N -1 0 392.411 3.350 20 5 GGBDRM Nc1ccc(C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)cc1[N+](=O)[O-] ZINC000833091013 601063013 /nfs/dbraw/zinc/06/30/13/601063013.db2.gz HCGRMRBCSXCLSL-UHFFFAOYSA-N -1 0 399.384 3.356 20 5 GGBDRM Cc1nc([C@H]2CCCN(C(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)C2)sc1C ZINC000262584197 601064622 /nfs/dbraw/zinc/06/46/22/601064622.db2.gz GIPCJFIXCJQXAT-LBPRGKRZSA-N -1 0 389.433 3.386 20 5 GGBDRM O=C([O-])[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000833350109 601065481 /nfs/dbraw/zinc/06/54/81/601065481.db2.gz AMTUMJYYNNPYGR-KRWDZBQOSA-N -1 0 388.351 3.317 20 5 GGBDRM O=C([O-])[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000739252098 601070840 /nfs/dbraw/zinc/07/08/40/601070840.db2.gz VMFMUDXXAHSEAE-AWEZNQCLSA-N -1 0 392.795 3.002 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000486357632 601071295 /nfs/dbraw/zinc/07/12/95/601071295.db2.gz LPHSTIPMDGBSCA-OAHLLOKOSA-N -1 0 397.412 3.317 20 5 GGBDRM O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 ZINC000738479084 601083063 /nfs/dbraw/zinc/08/30/63/601083063.db2.gz DNNCKXVOVNTDRI-GOSISDBHSA-N -1 0 397.431 3.183 20 5 GGBDRM CNc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598660591 601088679 /nfs/dbraw/zinc/08/86/79/601088679.db2.gz BSPOAPITWOVRQT-YOEHRIQHSA-N -1 0 375.425 3.132 20 5 GGBDRM COc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000598661942 601092923 /nfs/dbraw/zinc/09/29/23/601092923.db2.gz PFGQDRVVYGRGCQ-ZBFHGGJFSA-N -1 0 376.409 3.099 20 5 GGBDRM O=C([O-])[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000739373379 601124845 /nfs/dbraw/zinc/12/48/45/601124845.db2.gz PXSFSYKTATWQQA-SFHVURJKSA-N -1 0 392.371 3.289 20 5 GGBDRM CC[C@H](NC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1cccc([N+](=O)[O-])c1 ZINC000828957940 601131425 /nfs/dbraw/zinc/13/14/25/601131425.db2.gz JRLYXHMBIHNTGH-LBPRGKRZSA-N -1 0 393.425 3.126 20 5 GGBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827890583 601142131 /nfs/dbraw/zinc/14/21/31/601142131.db2.gz UYRKMWXANHPPBR-JTQLQIEISA-N -1 0 396.758 3.272 20 5 GGBDRM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])ccc1F ZINC000776630791 601148894 /nfs/dbraw/zinc/14/88/94/601148894.db2.gz ZOWLIKWUEILGEC-UHFFFAOYSA-N -1 0 383.129 3.447 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000833198672 601149028 /nfs/dbraw/zinc/14/90/28/601149028.db2.gz FSCNPKKSYCYTHC-JTQLQIEISA-N -1 0 399.222 3.365 20 5 GGBDRM O=C([O-])C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000833199422 601149511 /nfs/dbraw/zinc/14/95/11/601149511.db2.gz YGRDDZLQBDEFQB-CYBMUJFWSA-N -1 0 393.193 3.303 20 5 GGBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000833181387 601150676 /nfs/dbraw/zinc/15/06/76/601150676.db2.gz NXGLIFMNHCFSOF-BHYNMZESSA-N -1 0 397.225 3.215 20 5 GGBDRM O=C([O-])CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000833245504 601154587 /nfs/dbraw/zinc/15/45/87/601154587.db2.gz IOZAOKHHSQWULC-UHFFFAOYSA-N -1 0 397.156 3.228 20 5 GGBDRM O=C([O-])CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000819513280 601158597 /nfs/dbraw/zinc/15/85/97/601158597.db2.gz JHYHHVPZTZYADI-UHFFFAOYSA-N -1 0 379.166 3.089 20 5 GGBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000833189591 601159281 /nfs/dbraw/zinc/15/92/81/601159281.db2.gz TVKRSBMTVQRKTP-ZJUUUORDSA-N -1 0 386.198 3.292 20 5 GGBDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190859182 601165176 /nfs/dbraw/zinc/16/51/76/601165176.db2.gz DTDXSGWPJCIGMZ-DIFFPNOSSA-N -1 0 376.796 3.369 20 5 GGBDRM Cc1c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832849785 601167059 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Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000832921615 601399337 /nfs/dbraw/zinc/39/93/37/601399337.db2.gz SZKROSHPEVWJRY-JTQLQIEISA-N -1 0 398.824 3.294 20 5 GGBDRM CC(C)(NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000826630876 601405660 /nfs/dbraw/zinc/40/56/60/601405660.db2.gz XVZLWBWNXQYIES-UHFFFAOYSA-N -1 0 398.824 3.160 20 5 GGBDRM O=C([O-])CCCOc1ccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000833227567 601406316 /nfs/dbraw/zinc/40/63/16/601406316.db2.gz NJLBPHUJPTURCX-UHFFFAOYSA-N -1 0 392.795 3.422 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000833265542 601411938 /nfs/dbraw/zinc/41/19/38/601411938.db2.gz GTSCCOPNQJDFSB-AWEZNQCLSA-N -1 0 377.784 3.263 20 5 GGBDRM O=C([O-])C[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000833266301 601413242 /nfs/dbraw/zinc/41/32/42/601413242.db2.gz YFWYKHAKCZVVBF-INIZCTEOSA-N -1 0 391.811 3.306 20 5 GGBDRM C/C(=C\COC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825781303 601419995 /nfs/dbraw/zinc/41/99/95/601419995.db2.gz UZUNZTLKBZKRIE-RPHSKFLZSA-N -1 0 385.376 3.351 20 5 GGBDRM Cc1oc(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000832920789 601426000 /nfs/dbraw/zinc/42/60/00/601426000.db2.gz GXAGVHSNVRLSPL-LLVKDONJSA-N -1 0 375.381 3.405 20 5 GGBDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000830007258 601447684 /nfs/dbraw/zinc/44/76/84/601447684.db2.gz LXCXLRGJVKBHFC-UHFFFAOYSA-N -1 0 396.783 3.218 20 5 GGBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832905450 601475264 /nfs/dbraw/zinc/47/52/64/601475264.db2.gz LXUBQYGRGCZKDL-UHFFFAOYSA-N -1 0 393.421 3.122 20 5 GGBDRM Cc1cc(Cl)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000760098653 601505113 /nfs/dbraw/zinc/50/51/13/601505113.db2.gz AGCNVDBEOFJKIB-CYBMUJFWSA-N -1 0 398.824 3.051 20 5 GGBDRM 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GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H]2CCN(CC(F)(F)F)C2)cc1Cl ZINC000833307437 602252613 /nfs/dbraw/zinc/25/26/13/602252613.db2.gz MWEFVXMLRVVGHX-MRVPVSSYSA-N -1 0 381.738 3.243 20 5 GGBDRM C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000827768429 602253105 /nfs/dbraw/zinc/25/31/05/602253105.db2.gz QRWHHQKIWDBKLK-SNVBAGLBSA-N -1 0 377.784 3.063 20 5 GGBDRM CCCCNC(=O)[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829396057 602253251 /nfs/dbraw/zinc/25/32/51/602253251.db2.gz LDVPDOIIAAEGAA-LLVKDONJSA-N -1 0 383.832 3.079 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[NH+](CCc3cccs3)CC2)cc1Cl ZINC000833307028 602253607 /nfs/dbraw/zinc/25/36/07/602253607.db2.gz KAQRBFBVMMSNFM-UHFFFAOYSA-N -1 0 395.868 3.373 20 5 GGBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCCS(=O)(=O)c2ccccc2)cc1Cl ZINC000833307874 602254140 /nfs/dbraw/zinc/25/41/40/602254140.db2.gz ROFYOJBDKFJLSZ-UHFFFAOYSA-N -1 0 398.824 3.222 20 5 GGBDRM O=C([O-])COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000833254086 602259982 /nfs/dbraw/zinc/25/99/82/602259982.db2.gz BVJKEGZVPCZNMO-UHFFFAOYSA-N -1 0 396.355 3.229 20 5 GGBDRM Cc1cc(NC[C@H](c2cccs2)N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581550733 602312596 /nfs/dbraw/zinc/31/25/96/602312596.db2.gz MQAAPLFOROPEAM-OAHLLOKOSA-N -1 0 391.449 3.148 20 5 GGBDRM Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888379 602313017 /nfs/dbraw/zinc/31/30/17/602313017.db2.gz IKRAXOOKSGQIJZ-UHFFFAOYSA-N -1 0 397.431 3.134 20 5 GGBDRM Cc1cccc(NC(=O)[C@@H]2CCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000832971559 602314451 /nfs/dbraw/zinc/31/44/51/602314451.db2.gz TXRRXNKVGHSDEC-CQSZACIVSA-N -1 0 398.419 3.160 20 5 GGBDRM Cc1ccc(NC(=O)C2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)nc1 ZINC000832941935 602314491 /nfs/dbraw/zinc/31/44/91/602314491.db2.gz PQINVGZHEJBCKL-UHFFFAOYSA-N -1 0 398.419 3.160 20 5 GGBDRM Cc1cc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891610 602314757 /nfs/dbraw/zinc/31/47/57/602314757.db2.gz ZZNOICWFERRPHH-UHFFFAOYSA-N -1 0 379.413 3.049 20 5 GGBDRM CCCCN(C)C(=O)C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829381508 602314979 /nfs/dbraw/zinc/31/49/79/602314979.db2.gz WCWUOUATWSLUCI-UHFFFAOYSA-N -1 0 377.441 3.076 20 5 GGBDRM CC(C)C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826832752 602315137 /nfs/dbraw/zinc/31/51/37/602315137.db2.gz XCHZOXJQCYLJEY-KBPBESRZSA-N -1 0 377.441 3.060 20 5 GGBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832885955 602315741 /nfs/dbraw/zinc/31/57/41/602315741.db2.gz UCCMYIQIKNCGQS-UHFFFAOYSA-N -1 0 385.785 3.447 20 5 GGBDRM CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829216064 602315784 /nfs/dbraw/zinc/31/57/84/602315784.db2.gz JGDWRJCODHIZMG-KBPBESRZSA-N -1 0 377.441 3.123 20 5 GGBDRM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829216156 602315944 /nfs/dbraw/zinc/31/59/44/602315944.db2.gz JGDWRJCODHIZMG-ZIAGYGMSSA-N -1 0 377.441 3.123 20 5 GGBDRM O=C([O-])CCOc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000833239842 602316404 /nfs/dbraw/zinc/31/64/04/602316404.db2.gz WMFZZWCDHAPMSI-UHFFFAOYSA-N -1 0 382.170 3.349 20 5 GGBDRM Cc1ccc([C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000832923100 602318119 /nfs/dbraw/zinc/31/81/19/602318119.db2.gz JSKWPGYDWQZVLX-GFCCVEGCSA-N -1 0 380.198 3.341 20 5 GGBDRM Cc1cc(NCCCN(C(=O)C2CCC2)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896954 602318215 /nfs/dbraw/zinc/31/82/15/602318215.db2.gz ITYKETXWUBVVJV-UHFFFAOYSA-N -1 0 375.425 3.195 20 5 GGBDRM O=C([O-])Nc1ccc(CCNc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000833286033 602319386 /nfs/dbraw/zinc/31/93/86/602319386.db2.gz MWTCNEVEOAJAOJ-UHFFFAOYSA-N -1 0 381.186 3.497 20 5 GGBDRM Cc1cc(N2CCN(c3cccc(F)c3F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891123 602319615 /nfs/dbraw/zinc/31/96/15/602319615.db2.gz MPZHNVSYAVNBHC-UHFFFAOYSA-N -1 0 377.347 3.206 20 5 GGBDRM Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896930 602320351 /nfs/dbraw/zinc/32/03/51/602320351.db2.gz IINXXQFDUVLOQY-JFIYKMOQSA-N -1 0 395.415 3.170 20 5 GGBDRM Cc1cc(N[C@@H]2CCN(CCCc3ccccc3)C2=O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896367 602323777 /nfs/dbraw/zinc/32/37/77/602323777.db2.gz HKDMFPYMEBJBDD-GOSISDBHSA-N -1 0 397.431 3.247 20 5 GGBDRM Cc1cc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896663 602324211 /nfs/dbraw/zinc/32/42/11/602324211.db2.gz KFOQCVWWYJQEFF-INIZCTEOSA-N -1 0 397.431 3.247 20 5 GGBDRM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000581406620 602367555 /nfs/dbraw/zinc/36/75/55/602367555.db2.gz TUYCKPZMXPJIDC-UHFFFAOYSA-N -1 0 398.202 3.066 20 5 GGBDRM O=C([O-])CN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000598657709 602400187 /nfs/dbraw/zinc/40/01/87/602400187.db2.gz DPDRBABXPBXCKZ-UHFFFAOYSA-N -1 0 375.406 3.188 20 5 GGBDRM Cc1csc([C@@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CCO2)n1 ZINC000832988947 604263913 /nfs/dbraw/zinc/26/39/13/604263913.db2.gz BEWYOTWTRGPGEU-ZDUSSCGKSA-N -1 0 383.813 3.289 20 5 GGBDRM Cc1ccc(N2CCC[C@@H](Nc3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C2)nn1 ZINC000832940082 604264139 /nfs/dbraw/zinc/26/41/39/604264139.db2.gz RRXQNJVIPSCSRH-LLVKDONJSA-N -1 0 391.815 3.126 20 5 GGBDRM Cc1csc(N2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C)n1 ZINC000832989788 604264147 /nfs/dbraw/zinc/26/41/47/604264147.db2.gz OSXPZNLFEIPHMN-JTQLQIEISA-N -1 0 396.856 3.426 20 5 GGBDRM COC(=O)c1cc([N+](=O)[O-])c(N2Cc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC000831353390 604265161 /nfs/dbraw/zinc/26/51/61/604265161.db2.gz IXONRQWYQMADOC-UHFFFAOYSA-N -1 0 376.752 3.253 20 5 GGBDRM Cc1cnn(CC2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000832987441 604265978 /nfs/dbraw/zinc/26/59/78/604265978.db2.gz RXOSBMNUXOCAQR-UHFFFAOYSA-N -1 0 378.816 3.368 20 5 GGBDRM CC(C)(C)C(=O)NC[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826134876 604266487 /nfs/dbraw/zinc/26/64/87/604266487.db2.gz FWVQNNXHNILGPJ-LLVKDONJSA-N -1 0 397.859 3.325 20 5 GGBDRM C[C@H](c1cccnc1)N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827956556 604266523 /nfs/dbraw/zinc/26/65/23/604266523.db2.gz IAYCJRMMCYMGNJ-GFCCVEGCSA-N -1 0 390.827 3.225 20 5 GGBDRM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000826134877 604266623 /nfs/dbraw/zinc/26/66/23/604266623.db2.gz FWVQNNXHNILGPJ-NSHDSACASA-N -1 0 397.859 3.325 20 5 GGBDRM C[C@H]1OCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000828521909 604273572 /nfs/dbraw/zinc/27/35/72/604273572.db2.gz YNQIOMIJHSBSRV-QWHCGFSZSA-N -1 0 384.388 3.138 20 5 GGBDRM O=C([O-])c1ccc(OCCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000833321635 604278307 /nfs/dbraw/zinc/27/83/07/604278307.db2.gz WTELMRMJSXARBB-UHFFFAOYSA-N -1 0 399.403 3.046 20 5 GGBDRM Cn1c(Sc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000833040601 604281612 /nfs/dbraw/zinc/28/16/12/604281612.db2.gz CURBUTQUTUCEDA-SOFGYWHQSA-N -1 0 383.389 3.034 20 5 GGBDRM COc1ccccc1[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000832596916 604353834 /nfs/dbraw/zinc/35/38/34/604353834.db2.gz RZLTVIWRLHQXTC-SFHVURJKSA-N -1 0 396.355 3.414 20 5 GGBDRM COc1cccc(Br)c1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832515546 604391843 /nfs/dbraw/zinc/39/18/43/604391843.db2.gz RDRITOSAPDDFQD-UHFFFAOYSA-N -1 0 396.149 3.283 20 5 GGBDRM O=C([O-])c1cccn2cc(COc3c(Br)cccc3[N+](=O)[O-])nc12 ZINC000833335525 604406687 /nfs/dbraw/zinc/40/66/87/604406687.db2.gz UMHYMOLSEHGQPY-UHFFFAOYSA-N -1 0 392.165 3.282 20 5 GGBDRM O=C([O-])[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000833351886 604436297 /nfs/dbraw/zinc/43/62/97/604436297.db2.gz PPNKWSYURSHDOE-ZDUSSCGKSA-N -1 0 398.140 3.479 20 5 GGBDRM C[C@H](NC(=O)c1ccc(NCC2(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704273 604466645 /nfs/dbraw/zinc/46/66/45/604466645.db2.gz WUDSOPUWVBFIQF-AWEZNQCLSA-N -1 0 397.431 3.233 20 5 GGBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826095028 604472132 /nfs/dbraw/zinc/47/21/32/604472132.db2.gz GXDUIFZWYBPIFE-QGZVFWFLSA-N -1 0 385.420 3.289 20 5 GGBDRM Cc1oc(CN(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833025075 604531216 /nfs/dbraw/zinc/53/12/16/604531216.db2.gz AESFFHNVRKTQRD-UHFFFAOYSA-N -1 0 397.181 3.229 20 5 GGBDRM O=C([O-])c1ccc(OC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000833781684 604534099 /nfs/dbraw/zinc/53/40/99/604534099.db2.gz GUHQXJLQEXAKPC-CYBMUJFWSA-N -1 0 387.266 3.304 20 5 GGBDRM C[C@@H](OC[C@H](O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833537250 604536265 /nfs/dbraw/zinc/53/62/65/604536265.db2.gz ZDCNXBCLJIKVHJ-RISCZKNCSA-N -1 0 395.795 3.464 20 5 GGBDRM Cc1ccc(S(=O)(=O)Nc2cccc(SCCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000833751142 604538968 /nfs/dbraw/zinc/53/89/68/604538968.db2.gz PKFCLNOKOJMQOI-UHFFFAOYSA-N -1 0 396.446 3.271 20 5 GGBDRM COc1cc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c([N+](=O)[O-])cc1OC ZINC000831950929 604541312 /nfs/dbraw/zinc/54/13/12/604541312.db2.gz YNDNMUPFYOPHFL-SECBINFHSA-N -1 0 379.321 3.130 20 5 GGBDRM Cc1cc([C@H](C)OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)oc1C(=O)[O-] ZINC000832875813 604567285 /nfs/dbraw/zinc/56/72/85/604567285.db2.gz PITRMMRURITGAA-VIFPVBQESA-N -1 0 378.293 3.329 20 5 GGBDRM Cc1cc([C@@H](C)OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)oc1C(=O)[O-] ZINC000832876990 604575890 /nfs/dbraw/zinc/57/58/90/604575890.db2.gz WLYBDCMYXSJKFM-LLVKDONJSA-N -1 0 385.332 3.298 20 5 GGBDRM CN(CC(=O)[O-])C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237170751 604580411 /nfs/dbraw/zinc/58/04/11/604580411.db2.gz XSHIQCCVNKBLMW-UHFFFAOYSA-N -1 0 377.784 3.017 20 5 GGBDRM O=C([O-])c1cccc(NC2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000833331850 604581044 /nfs/dbraw/zinc/58/10/44/604581044.db2.gz KBUOGKCBLBFYCV-UHFFFAOYSA-N -1 0 398.419 3.079 20 5 GGBDRM Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000191645187 604588638 /nfs/dbraw/zinc/58/86/38/604588638.db2.gz AWXGEXPCYUUNIM-UHFFFAOYSA-N -1 0 380.360 3.348 20 5 GGBDRM C[C@H](Nc1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000827768501 604591545 /nfs/dbraw/zinc/59/15/45/604591545.db2.gz TXGZOLKXOBMCQH-DZGCQCFKSA-N -1 0 398.419 3.242 20 5 GGBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H]3CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000262964099 604593583 /nfs/dbraw/zinc/59/35/83/604593583.db2.gz OAQPVBJGEASCHV-IJEWVQPXSA-N -1 0 389.452 3.156 20 5 GGBDRM COc1cc(OC)cc([C@@H](OC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC000832080965 604595712 /nfs/dbraw/zinc/59/57/12/604595712.db2.gz WCJCJYKEGCCWRP-OAHLLOKOSA-N -1 0 395.751 3.248 20 5 GGBDRM C[C@@H](CN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(=O)[O-] ZINC000827454906 604632797 /nfs/dbraw/zinc/63/27/97/604632797.db2.gz IGXCQYVWZACWLQ-ZDUSSCGKSA-N -1 0 383.404 3.207 20 5 GGBDRM CC1(C)C[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000828056894 604637471 /nfs/dbraw/zinc/63/74/71/604637471.db2.gz YZSLIZSLMAKZMH-MRXNPFEDSA-N -1 0 383.404 3.244 20 5 GGBDRM CC1(C)C[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000828056892 604637876 /nfs/dbraw/zinc/63/78/76/604637876.db2.gz YZSLIZSLMAKZMH-INIZCTEOSA-N -1 0 383.404 3.244 20 5 GGBDRM O=C([O-])Cc1cccc(OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000833268385 604642458 /nfs/dbraw/zinc/64/24/58/604642458.db2.gz PWBUXIUETCMHOQ-UHFFFAOYSA-N -1 0 380.150 3.204 20 5 GGBDRM CC(C)CC[C@@H]1CCCN1c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000826844852 604644481 /nfs/dbraw/zinc/64/44/81/604644481.db2.gz MFDANPZEZHXUNQ-HIFRSBDPSA-N -1 0 377.441 3.203 20 5 GGBDRM CCCCC[C@H]1CCCN1c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829348461 604644985 /nfs/dbraw/zinc/64/49/85/604644985.db2.gz RQABCZSWJMTROC-HIFRSBDPSA-N -1 0 377.441 3.347 20 5 GGBDRM CCCCC[C@@H]1CCCN1c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829348465 604645057 /nfs/dbraw/zinc/64/50/57/604645057.db2.gz RQABCZSWJMTROC-UKRRQHHQSA-N -1 0 377.441 3.347 20 5 GGBDRM O=C([O-])CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000833245320 604661595 /nfs/dbraw/zinc/66/15/95/604661595.db2.gz GQOSBVODLJOXHP-UHFFFAOYSA-N -1 0 397.156 3.228 20 5 GGBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833546041 604690498 /nfs/dbraw/zinc/69/04/98/604690498.db2.gz OMLGDYYGPJVFLW-NSHDSACASA-N -1 0 389.385 3.200 20 5 GGBDRM CC1CCN(c2ccc(C(=O)N(C)C3(C(=O)[O-])CCCC3)cc2[N+](=O)[O-])CC1 ZINC000828303674 604711154 /nfs/dbraw/zinc/71/11/54/604711154.db2.gz WIOMFQOSGVPMAU-UHFFFAOYSA-N -1 0 389.452 3.301 20 5 GGBDRM 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CC(=O)c1cc(F)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1F ZINC000833401533 604789522 /nfs/dbraw/zinc/78/95/22/604789522.db2.gz WFAPRISZVFEHJY-UHFFFAOYSA-N -1 0 382.250 3.165 20 5 GGBDRM COc1cc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000831866242 604790179 /nfs/dbraw/zinc/79/01/79/604790179.db2.gz JMNPRJHSUCMWTH-UHFFFAOYSA-N -1 0 399.403 3.018 20 5 GGBDRM C[C@@H](Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000827773266 604794192 /nfs/dbraw/zinc/79/41/92/604794192.db2.gz GCOMMLFCNFOFDD-SNVBAGLBSA-N -1 0 393.783 3.151 20 5 GGBDRM C[C@H](Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000827773455 604794516 /nfs/dbraw/zinc/79/45/16/604794516.db2.gz MVPJYIPJEAODML-JTQLQIEISA-N -1 0 393.783 3.151 20 5 GGBDRM COC(=O)[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000831074433 604802471 /nfs/dbraw/zinc/80/24/71/604802471.db2.gz YGHFRGJAHSFKRB-GFCCVEGCSA-N -1 0 378.768 3.315 20 5 GGBDRM 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0 396.787 3.374 20 5 GGBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000121827420 1414270878 /nfs/dbraw/zinc/27/08/78/1414270878.db2.gz XXGJSJHHRDWZGA-UHFFFAOYSA-N -1 0 380.275 3.275 20 5 GGBDRM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000121966146 1414326017 /nfs/dbraw/zinc/32/60/17/1414326017.db2.gz MBOCFVQFCOVUCF-UHFFFAOYSA-N -1 0 395.412 3.438 20 5 GGBDRM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000121966906 1414326336 /nfs/dbraw/zinc/32/63/36/1414326336.db2.gz MXQONUFCBIKCDN-UHFFFAOYSA-N -1 0 393.396 3.192 20 5 GGBDRM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000177605899 1428809010 /nfs/dbraw/zinc/80/90/10/1428809010.db2.gz SJDOKTOUXUSLMN-UHFFFAOYSA-N -1 0 396.852 3.322 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2F)[nH]n1 ZINC000122554960 1414498834 /nfs/dbraw/zinc/49/88/34/1414498834.db2.gz JLHBARCRYWBFGO-UHFFFAOYSA-N -1 0 398.322 3.203 20 5 GGBDRM Cc1cc(C(=O)NCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000123136438 1414651360 /nfs/dbraw/zinc/65/13/60/1414651360.db2.gz LEQFWEZQNQSTJX-UHFFFAOYSA-N -1 0 398.202 3.284 20 5 GGBDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000123395909 1414715214 /nfs/dbraw/zinc/71/52/14/1414715214.db2.gz AGOZPUWEALZTTA-UHFFFAOYSA-N -1 0 393.812 3.210 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1 ZINC000123672343 1414807155 /nfs/dbraw/zinc/80/71/55/1414807155.db2.gz NTOPGIIMNGEHLJ-QGZVFWFLSA-N -1 0 387.392 3.197 20 5 GGBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000123828300 1414830705 /nfs/dbraw/zinc/83/07/05/1414830705.db2.gz QPSFLFVHGUIXKS-UHFFFAOYSA-N -1 0 396.787 3.374 20 5 GGBDRM O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000826499026 1428843265 /nfs/dbraw/zinc/84/32/65/1428843265.db2.gz SCAKGERJPQLLFB-MRXNPFEDSA-N -1 0 383.412 3.007 20 5 GGBDRM 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Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2)c1 ZINC000124922384 1415073358 /nfs/dbraw/zinc/07/33/58/1415073358.db2.gz ZTILMDUAPOBKKJ-OAHLLOKOSA-N -1 0 397.431 3.408 20 5 GGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCN(c2nc3ccccc3o2)CC1 ZINC000124931820 1415075511 /nfs/dbraw/zinc/07/55/11/1415075511.db2.gz ULZRKCKXFKOJCD-UHFFFAOYSA-N -1 0 382.376 3.297 20 5 GGBDRM COc1cc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)ccc1[N+](=O)[O-] ZINC000124946184 1415078249 /nfs/dbraw/zinc/07/82/49/1415078249.db2.gz BIFNZBPNURYUGB-UHFFFAOYSA-N -1 0 389.389 3.368 20 5 GGBDRM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2)cc1 ZINC000124961006 1415082080 /nfs/dbraw/zinc/08/20/80/1415082080.db2.gz SIZFZKXHBGIXKT-HNNXBMFYSA-N -1 0 383.404 3.100 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1C ZINC000125101645 1415109215 /nfs/dbraw/zinc/10/92/15/1415109215.db2.gz MEEMOWXNHLVCDI-UHFFFAOYSA-N -1 0 384.417 3.469 20 5 GGBDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000125105658 1415110113 /nfs/dbraw/zinc/11/01/13/1415110113.db2.gz CGDIQMVYJXAYPB-UHFFFAOYSA-N -1 0 377.422 3.279 20 5 GGBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)cc1C ZINC000125128187 1415114635 /nfs/dbraw/zinc/11/46/35/1415114635.db2.gz KTYZIIHCKYXQQF-UHFFFAOYSA-N -1 0 386.433 3.257 20 5 GGBDRM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000125156077 1415120516 /nfs/dbraw/zinc/12/05/16/1415120516.db2.gz FYGVVMDKDHTZDE-UHFFFAOYSA-N -1 0 391.174 3.003 20 5 GGBDRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000177844104 1428870791 /nfs/dbraw/zinc/87/07/91/1428870791.db2.gz QXZYRYKFWDNBSA-UHFFFAOYSA-N -1 0 381.385 3.192 20 5 GGBDRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000177856096 1428874608 /nfs/dbraw/zinc/87/46/08/1428874608.db2.gz YKSNLBZEKDKESB-CYBMUJFWSA-N -1 0 391.449 3.074 20 5 GGBDRM 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ZINC000821605160 1428904850 /nfs/dbraw/zinc/90/48/50/1428904850.db2.gz XRTKJJBINHEEGX-UHFFFAOYSA-N -1 0 375.392 3.002 20 5 GGBDRM Cc1ccc(-n2[n-]c(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2=O)cc1 ZINC000126093444 1415356067 /nfs/dbraw/zinc/35/60/67/1415356067.db2.gz XADZCHNEQHSIPE-UHFFFAOYSA-N -1 0 392.415 3.187 20 5 GGBDRM COc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1F ZINC000126190734 1415380925 /nfs/dbraw/zinc/38/09/25/1415380925.db2.gz YPZIHQMSSYPTKS-UHFFFAOYSA-N -1 0 376.312 3.130 20 5 GGBDRM COc1ccccc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000126421206 1415448069 /nfs/dbraw/zinc/44/80/69/1415448069.db2.gz HNXRLAZWNGMKDY-SFHVURJKSA-N -1 0 379.372 3.223 20 5 GGBDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000126572095 1415495550 /nfs/dbraw/zinc/49/55/50/1415495550.db2.gz IKUHTKONXUGDGK-UHFFFAOYSA-N -1 0 377.353 3.498 20 5 GGBDRM CC(C)c1nc([C@@H]2CCCCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)no1 ZINC000824359685 1428950049 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CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)c2C1 ZINC000171346026 1425628899 /nfs/dbraw/zinc/62/88/99/1425628899.db2.gz VSBNWUZHFMACQF-UHFFFAOYSA-N -1 0 391.449 3.130 20 5 GGBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000171413549 1425669169 /nfs/dbraw/zinc/66/91/69/1425669169.db2.gz MKMPTYQEJZSHPZ-UHFFFAOYSA-N -1 0 396.787 3.374 20 5 GGBDRM Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229176 1425728867 /nfs/dbraw/zinc/72/88/67/1425728867.db2.gz OKIHFPWYTSXMIW-CHWSQXEVSA-N -1 0 395.423 3.205 20 5 GGBDRM O=[N+]([O-])c1ccc(F)cc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823639720 1425733501 /nfs/dbraw/zinc/73/35/01/1425733501.db2.gz GAMNIINQTYYSQU-UHFFFAOYSA-N -1 0 381.270 3.094 20 5 GGBDRM Cc1cc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000737270767 1425742448 /nfs/dbraw/zinc/74/24/48/1425742448.db2.gz HHSNRQKTBPFQCH-UHFFFAOYSA-N -1 0 380.408 3.131 20 5 GGBDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000171697473 1425792979 /nfs/dbraw/zinc/79/29/79/1425792979.db2.gz OLUKLMFJLANJPC-RBUKOAKNSA-N -1 0 396.424 3.357 20 5 GGBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccnc1 ZINC000171768927 1425815619 /nfs/dbraw/zinc/81/56/19/1425815619.db2.gz DRYNYBHDHBVPNX-QGZVFWFLSA-N -1 0 387.392 3.197 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N3CCC4(CCCC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643823 1425895211 /nfs/dbraw/zinc/89/52/11/1425895211.db2.gz CEJRMAPTCGMNLI-UHFFFAOYSA-N -1 0 379.424 3.484 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(NCCc3c(F)cccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000823644265 1425934712 /nfs/dbraw/zinc/93/47/12/1425934712.db2.gz IIAGFZPVRFAUEZ-UHFFFAOYSA-N -1 0 397.345 3.256 20 5 GGBDRM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172182057 1425936486 /nfs/dbraw/zinc/93/64/86/1425936486.db2.gz JGKWSQMYUPAEFK-UHFFFAOYSA-N -1 0 391.449 3.186 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)ccc1[N+](=O)[O-] ZINC000172182501 1425936651 /nfs/dbraw/zinc/93/66/51/1425936651.db2.gz CFIHEPRRDUQYPK-UHFFFAOYSA-N -1 0 384.417 3.469 20 5 GGBDRM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)=O ZINC000172182598 1425936669 /nfs/dbraw/zinc/93/66/69/1425936669.db2.gz PBBBNRGKVYBCHF-UHFFFAOYSA-N -1 0 391.449 3.072 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000172182447 1425936735 /nfs/dbraw/zinc/93/67/35/1425936735.db2.gz XNBLMRANAPZKRS-UHFFFAOYSA-N -1 0 377.422 3.299 20 5 GGBDRM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172183228 1425937278 /nfs/dbraw/zinc/93/72/78/1425937278.db2.gz JGZMLQFRXJORPH-UHFFFAOYSA-N -1 0 391.449 3.151 20 5 GGBDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C1 ZINC000172183794 1425937598 /nfs/dbraw/zinc/93/75/98/1425937598.db2.gz OSNKJLDEFDQDRV-UHFFFAOYSA-N -1 0 375.450 3.430 20 5 GGBDRM O=[N+]([O-])c1ccc(-c2nnc(CSc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000738359586 1425948576 /nfs/dbraw/zinc/94/85/76/1425948576.db2.gz KATRHQDWOPYCDX-UHFFFAOYSA-N -1 0 381.377 3.117 20 5 GGBDRM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822176882 1425966211 /nfs/dbraw/zinc/96/62/11/1425966211.db2.gz PRTIOTIIQXXBDC-UHFFFAOYSA-N -1 0 382.380 3.123 20 5 GGBDRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000172356979 1426014174 /nfs/dbraw/zinc/01/41/74/1426014174.db2.gz PPKWXZQQCMKOBN-NSHDSACASA-N -1 0 395.824 3.259 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826263790 1426044736 /nfs/dbraw/zinc/04/47/36/1426044736.db2.gz QRHUTAFGNPFZSM-UHFFFAOYSA-N -1 0 377.408 3.080 20 5 GGBDRM O=[N+]([O-])c1cnc(N2CC3(CCCC3)c3c2cccc3F)c(-c2nn[n-]n2)c1 ZINC000738370663 1426131616 /nfs/dbraw/zinc/13/16/16/1426131616.db2.gz XQBVIZUOWHEBDB-UHFFFAOYSA-N -1 0 381.371 3.273 20 5 GGBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000172887464 1426240024 /nfs/dbraw/zinc/24/00/24/1426240024.db2.gz AAAUIHBFBYTNCH-UHFFFAOYSA-N -1 0 390.396 3.088 20 5 GGBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000172887067 1426240254 /nfs/dbraw/zinc/24/02/54/1426240254.db2.gz APZUIHUWRUFRAU-UHFFFAOYSA-N -1 0 394.359 3.168 20 5 GGBDRM O=[N+]([O-])c1ccc(NC[C@H](O)c2cc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000823640198 1426240504 /nfs/dbraw/zinc/24/05/04/1426240504.db2.gz WYCSJBVNYSJEOD-AWEZNQCLSA-N -1 0 382.405 3.135 20 5 GGBDRM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736190033 1426258462 /nfs/dbraw/zinc/25/84/62/1426258462.db2.gz DZFDQSJWIMYEJE-VIFPVBQESA-N -1 0 388.384 3.033 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000738357098 1426262896 /nfs/dbraw/zinc/26/28/96/1426262896.db2.gz BEIOWOVLTGTIFY-AWEZNQCLSA-N -1 0 395.206 3.227 20 5 GGBDRM C[C@@H]1CCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000173176098 1426378363 /nfs/dbraw/zinc/37/83/63/1426378363.db2.gz DUSSYTQQYFLQCV-CYBMUJFWSA-N -1 0 389.433 3.020 20 5 GGBDRM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738371984 1426401848 /nfs/dbraw/zinc/40/18/48/1426401848.db2.gz ZTEJXSLAUREICB-GOSISDBHSA-N -1 0 380.408 3.355 20 5 GGBDRM O=[N+]([O-])c1ccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738368419 1426555087 /nfs/dbraw/zinc/55/50/87/1426555087.db2.gz DGMBGAJUURATNM-CQSZACIVSA-N -1 0 395.206 3.227 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N3CCc4ccc(F)cc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645962 1426567471 /nfs/dbraw/zinc/56/74/71/1426567471.db2.gz YDDIXLLCKCHEJU-UHFFFAOYSA-N -1 0 391.366 3.025 20 5 GGBDRM COc1cc(-c2nn[n-]n2)ccc1OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000737033141 1426598847 /nfs/dbraw/zinc/59/88/47/1426598847.db2.gz UBDVMWGMLVRPNR-UHFFFAOYSA-N -1 0 385.380 3.150 20 5 GGBDRM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000173468809 1426644150 /nfs/dbraw/zinc/64/41/50/1426644150.db2.gz GESZCJNQHHFGRM-ZDUSSCGKSA-N -1 0 387.870 3.443 20 5 GGBDRM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573530 1426696207 /nfs/dbraw/zinc/69/62/07/1426696207.db2.gz UIVWLGSKPMGFBH-UHFFFAOYSA-N -1 0 398.766 3.451 20 5 GGBDRM O=[N+]([O-])c1ccc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826498586 1426736211 /nfs/dbraw/zinc/73/62/11/1426736211.db2.gz BLARKTPUFQDVHW-SCLBCKFNSA-N -1 0 380.408 3.355 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc(N2CCSCC2)cc1 ZINC000823630505 1426756747 /nfs/dbraw/zinc/75/67/47/1426756747.db2.gz ZATFIDKAWGWKSI-UHFFFAOYSA-N -1 0 383.437 3.072 20 5 GGBDRM O=[N+]([O-])c1cccc(Br)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826499312 1426840001 /nfs/dbraw/zinc/84/00/01/1426840001.db2.gz DNXOHRBZWFEYHN-UHFFFAOYSA-N -1 0 375.186 3.150 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000173869968 1426877184 /nfs/dbraw/zinc/87/71/84/1426877184.db2.gz ODJXAQJFKITSQC-UHFFFAOYSA-N -1 0 389.216 3.329 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000173907208 1426887720 /nfs/dbraw/zinc/88/77/20/1426887720.db2.gz TXFRDEIHIVNSAB-UHFFFAOYSA-N -1 0 388.323 3.041 20 5 GGBDRM Cc1nn(C)c(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1[N+](=O)[O-] ZINC000737512380 1426924488 /nfs/dbraw/zinc/92/44/88/1426924488.db2.gz XDBPCIWFBOPCSH-UHFFFAOYSA-N -1 0 392.379 3.353 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000825674518 1426936709 /nfs/dbraw/zinc/93/67/09/1426936709.db2.gz NFIXAQIFFVGNES-UHFFFAOYSA-N -1 0 385.405 3.244 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CCc1ccccc1F ZINC000174017158 1426946138 /nfs/dbraw/zinc/94/61/38/1426946138.db2.gz KVYZIZXPDRENIH-LBPRGKRZSA-N -1 0 394.424 3.116 20 5 GGBDRM CC(=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC000823943730 1426984438 /nfs/dbraw/zinc/98/44/38/1426984438.db2.gz RWUMZESDEGHSNH-JXMROGBWSA-N -1 0 384.783 3.470 20 5 GGBDRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000174113338 1427007899 /nfs/dbraw/zinc/00/78/99/1427007899.db2.gz HQAFAOYZLUVUOY-OAHLLOKOSA-N -1 0 396.852 3.493 20 5 GGBDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174130018 1427015155 /nfs/dbraw/zinc/01/51/55/1427015155.db2.gz NDOROLSAYDMSSH-UHFFFAOYSA-N -1 0 394.371 3.254 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000174336607 1427108158 /nfs/dbraw/zinc/10/81/58/1427108158.db2.gz SWTQAFLEUXHDKQ-QGZVFWFLSA-N -1 0 376.434 3.148 20 5 GGBDRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825152581 1427138727 /nfs/dbraw/zinc/13/87/27/1427138727.db2.gz CAXVTHIYLOBAHS-CYBMUJFWSA-N -1 0 394.819 3.105 20 5 GGBDRM Cn1cnc([N+](=O)[O-])c1Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737619509 1427172361 /nfs/dbraw/zinc/17/23/61/1427172361.db2.gz UGDNFROAZXZEFO-UHFFFAOYSA-N -1 0 378.352 3.044 20 5 GGBDRM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000826453194 1427173895 /nfs/dbraw/zinc/17/38/95/1427173895.db2.gz ACIJPSWKMZPDJC-UHFFFAOYSA-N -1 0 395.766 3.229 20 5 GGBDRM CC1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)CC1 ZINC000820728099 1427185970 /nfs/dbraw/zinc/18/59/70/1427185970.db2.gz SQQZXMRPDBWDOL-UHFFFAOYSA-N -1 0 380.412 3.150 20 5 GGBDRM CC(C)C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824244065 1427212295 /nfs/dbraw/zinc/21/22/95/1427212295.db2.gz QEKKUKRXGVUNFH-OCCSQVGLSA-N -1 0 397.439 3.329 20 5 GGBDRM O=C(CSc1ccc(Cl)cc1-c1nn[n-]n1)Nc1ccccc1[N+](=O)[O-] ZINC000823066416 1427253369 /nfs/dbraw/zinc/25/33/69/1427253369.db2.gz YNUZPIYXNLLZGH-UHFFFAOYSA-N -1 0 390.812 3.159 20 5 GGBDRM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000823421913 1427294670 /nfs/dbraw/zinc/29/46/70/1427294670.db2.gz JZLJBOULAUDOJN-UHFFFAOYSA-N -1 0 399.363 3.486 20 5 GGBDRM Cc1ccc([N+](=O)[O-])c(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822271093 1427334431 /nfs/dbraw/zinc/33/44/31/1427334431.db2.gz MBKGJCBZURRTRY-UHFFFAOYSA-N -1 0 377.307 3.264 20 5 GGBDRM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)o1 ZINC000174767421 1427355823 /nfs/dbraw/zinc/35/58/23/1427355823.db2.gz YWGQLWBSJIFGMT-UHFFFAOYSA-N -1 0 388.405 3.316 20 5 GGBDRM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)o1 ZINC000174766827 1427355858 /nfs/dbraw/zinc/35/58/58/1427355858.db2.gz VYQSEVWLGDFHQJ-UHFFFAOYSA-N -1 0 388.405 3.316 20 5 GGBDRM Cc1c(NC(=O)[C@H](C)Sc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000822060727 1427356353 /nfs/dbraw/zinc/35/63/53/1427356353.db2.gz IJYIJJCQJSZNMW-NSHDSACASA-N -1 0 384.421 3.203 20 5 GGBDRM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)o1 ZINC000174767596 1427356855 /nfs/dbraw/zinc/35/68/55/1427356855.db2.gz MCNKZBSUXDWEPG-UHFFFAOYSA-N -1 0 388.405 3.316 20 5 GGBDRM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000826176573 1427360003 /nfs/dbraw/zinc/36/00/03/1427360003.db2.gz VBQFGIXMKANWKW-UHFFFAOYSA-N -1 0 379.279 3.177 20 5 GGBDRM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175076333 1427533055 /nfs/dbraw/zinc/53/30/55/1427533055.db2.gz KMUHQTOUFIBSKL-UHFFFAOYSA-N -1 0 398.322 3.077 20 5 GGBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175123610 1427559510 /nfs/dbraw/zinc/55/95/10/1427559510.db2.gz YYCFJRXURHHXIQ-VIFPVBQESA-N -1 0 388.854 3.227 20 5 GGBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000175162471 1427576081 /nfs/dbraw/zinc/57/60/81/1427576081.db2.gz RWTKFYZLXZAMIE-SECBINFHSA-N -1 0 388.854 3.227 20 5 GGBDRM O=[N+]([O-])c1cc(F)ccc1Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823634773 1427603096 /nfs/dbraw/zinc/60/30/96/1427603096.db2.gz LVCNWNYWYXTNMC-UHFFFAOYSA-N -1 0 380.133 3.469 20 5 GGBDRM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000823620453 1427630165 /nfs/dbraw/zinc/63/01/65/1427630165.db2.gz LCBRIMADRMBXAH-SFHVURJKSA-N -1 0 399.414 3.322 20 5 GGBDRM CC(=CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942589 1427693614 /nfs/dbraw/zinc/69/36/14/1427693614.db2.gz GTOYRJBOFGYLMH-XSNHNAGMSA-N -1 0 379.376 3.483 20 5 GGBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000175358615 1427703587 /nfs/dbraw/zinc/70/35/87/1427703587.db2.gz XALKHOMHTYEPKK-UHFFFAOYSA-N -1 0 391.449 3.184 20 5 GGBDRM COc1ccc([N+](=O)[O-])cc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826212743 1427712168 /nfs/dbraw/zinc/71/21/68/1427712168.db2.gz ZXEKGVIWYJOORW-UHFFFAOYSA-N -1 0 392.419 3.073 20 5 GGBDRM O=[N+]([O-])c1ccc2nc(N3CCC[C@H](C(F)(F)F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000738366089 1427736262 /nfs/dbraw/zinc/73/62/62/1427736262.db2.gz BTPCSJRMZGOUHH-VIFPVBQESA-N -1 0 393.329 3.102 20 5 GGBDRM O=[N+]([O-])c1ccc(CSCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826498464 1427796730 /nfs/dbraw/zinc/79/67/30/1427796730.db2.gz WATVZXRQQQZEEL-UHFFFAOYSA-N -1 0 395.404 3.258 20 5 GGBDRM COCc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000175921703 1427973837 /nfs/dbraw/zinc/97/38/37/1427973837.db2.gz OPQNWFZTKHLKDX-UHFFFAOYSA-N -1 0 397.796 3.337 20 5 GGBDRM C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155084 1427985734 /nfs/dbraw/zinc/98/57/34/1427985734.db2.gz GZOBMIHYNZZNRC-LLVKDONJSA-N -1 0 385.405 3.171 20 5 GGBDRM O=C(c1cc(-c2nn[n-]n2)cs1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000823467261 1428009585 /nfs/dbraw/zinc/00/95/85/1428009585.db2.gz SWUUXVLULLQZBL-UHFFFAOYSA-N -1 0 384.421 3.426 20 5 GGBDRM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823440439 1428014822 /nfs/dbraw/zinc/01/48/22/1428014822.db2.gz UAYKPYXLBOBSMP-UHFFFAOYSA-N -1 0 398.766 3.038 20 5 GGBDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)s1 ZINC000176012821 1428026702 /nfs/dbraw/zinc/02/67/02/1428026702.db2.gz BBYZKOAPFNDHRL-UHFFFAOYSA-N -1 0 396.490 3.409 20 5 GGBDRM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825829984 1428106842 /nfs/dbraw/zinc/10/68/42/1428106842.db2.gz NDLBXGMEFUGJFI-UHFFFAOYSA-N -1 0 393.190 3.358 20 5 GGBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737248488 1428121909 /nfs/dbraw/zinc/12/19/09/1428121909.db2.gz GOXPXPPKZGOIPC-UHFFFAOYSA-N -1 0 384.421 3.123 20 5 GGBDRM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCC[C@H]12 ZINC000824991609 1429832572 /nfs/dbraw/zinc/83/25/72/1429832572.db2.gz CVLRXPGTJGHXOJ-NDGTYSDOSA-N -1 0 379.424 3.338 20 5 GGBDRM Cc1ccc(S(=O)(=O)Nc2cccc3c2CN(C(C)C)C3)cc1[N+](=O)[O-] ZINC000180714363 1429995581 /nfs/dbraw/zinc/99/55/81/1429995581.db2.gz MSUUJRGVXOHJHB-UHFFFAOYSA-N -1 0 375.450 3.428 20 5 GGBDRM O=[N+]([O-])c1ccc(CN(C(=S)Nc2ccccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000826498000 1429999020 /nfs/dbraw/zinc/99/90/20/1429999020.db2.gz COSPZNALPHEELJ-UHFFFAOYSA-N -1 0 395.448 3.136 20 5 GGBDRM O=C(Cc1ccccc1I)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180770208 1430029580 /nfs/dbraw/zinc/02/95/80/1430029580.db2.gz CGDRWXOEJCLKLR-UHFFFAOYSA-N -1 0 398.156 3.086 20 5 GGBDRM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])n2)n1 ZINC000180776005 1430033125 /nfs/dbraw/zinc/03/31/25/1430033125.db2.gz RWZXBGIZYDYNQI-UHFFFAOYSA-N -1 0 387.783 3.404 20 5 GGBDRM CCc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cnn1-c1ccccn1 ZINC000180780541 1430034900 /nfs/dbraw/zinc/03/49/00/1430034900.db2.gz DOTQRZQDGUVHGI-UHFFFAOYSA-N -1 0 387.783 3.349 20 5 GGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2ccco2)[nH]c1=O ZINC000180782019 1430035518 /nfs/dbraw/zinc/03/55/18/1430035518.db2.gz IWPGEBRMTNCWDC-UHFFFAOYSA-N -1 0 375.724 3.154 20 5 GGBDRM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180782989 1430036782 /nfs/dbraw/zinc/03/67/82/1430036782.db2.gz ZGDGUJFLEBISKN-NSHDSACASA-N -1 0 389.795 3.484 20 5 GGBDRM CC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943381 1430038303 /nfs/dbraw/zinc/03/83/03/1430038303.db2.gz PHMJEFZXLCCLAI-YLGBQOPLSA-N -1 0 378.392 3.056 20 5 GGBDRM CC1(C)Cc2nc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2C(=O)C1 ZINC000180803538 1430050656 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Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc2o1 ZINC000184793769 1430979453 /nfs/dbraw/zinc/97/94/53/1430979453.db2.gz KYALGSFEQMKDPZ-UHFFFAOYSA-N -1 0 384.373 3.393 20 5 GGBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c2ncccc12 ZINC000184860013 1431005129 /nfs/dbraw/zinc/00/51/29/1431005129.db2.gz VRRWQEXCDZLGCL-UHFFFAOYSA-N -1 0 383.307 3.361 20 5 GGBDRM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc21 ZINC000184864357 1431006931 /nfs/dbraw/zinc/00/69/31/1431006931.db2.gz WMQVDICMPQTWFW-UHFFFAOYSA-N -1 0 397.412 3.463 20 5 GGBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c2cccnc21 ZINC000184966586 1431032458 /nfs/dbraw/zinc/03/24/58/1431032458.db2.gz QHWWWBGDOLVMFG-UHFFFAOYSA-N -1 0 395.400 3.130 20 5 GGBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1F ZINC000184967810 1431032810 /nfs/dbraw/zinc/03/28/10/1431032810.db2.gz WNLADKCFRLZUMS-UHFFFAOYSA-N -1 0 377.353 3.092 20 5 GGBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)on1 ZINC000185621670 1431186577 /nfs/dbraw/zinc/18/65/77/1431186577.db2.gz IPKZQOQBDITNQN-UHFFFAOYSA-N -1 0 376.394 3.229 20 5 GGBDRM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185729266 1431217847 /nfs/dbraw/zinc/21/78/47/1431217847.db2.gz ZHOOJRCAEOCNQX-UHFFFAOYSA-N -1 0 379.376 3.148 20 5 GGBDRM Cc1c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n(C)nc1C(F)(F)F ZINC000185956563 1431295357 /nfs/dbraw/zinc/29/53/57/1431295357.db2.gz SALKGUYITPZFOW-UHFFFAOYSA-N -1 0 392.359 3.073 20 5 GGBDRM CC(C)(C)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n(-c2ccccn2)n1 ZINC000185989826 1431306087 /nfs/dbraw/zinc/30/60/87/1431306087.db2.gz XWHBHCRVIFOMES-UHFFFAOYSA-N -1 0 381.392 3.431 20 5 GGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(=O)[nH]c2cc(F)ccc21 ZINC000186069733 1431323793 /nfs/dbraw/zinc/32/37/93/1431323793.db2.gz ZDXMFMACSWFVKT-UHFFFAOYSA-N -1 0 377.715 3.187 20 5 GGBDRM Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186070847 1431324257 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O=[N+]([O-])c1cnc(NCCc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000823651453 1446138815 /nfs/dbraw/zinc/13/88/15/1446138815.db2.gz KJMKERCRAWKIGO-UHFFFAOYSA-N -1 0 380.195 3.131 20 5 GGBDRM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000826252896 1446141258 /nfs/dbraw/zinc/14/12/58/1446141258.db2.gz XHQWWLFEXAWZEZ-GFCCVEGCSA-N -1 0 399.432 3.307 20 5 GGBDRM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000736137163 1446273200 /nfs/dbraw/zinc/27/32/00/1446273200.db2.gz KOTAYZNYCAVZOP-QMMMGPOBSA-N -1 0 379.302 3.362 20 5 GGBDRM Cc1noc(C(C)C)c1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826338188 1446282783 /nfs/dbraw/zinc/28/27/83/1446282783.db2.gz NJPNIYVURUTESR-UHFFFAOYSA-N -1 0 391.775 3.100 20 5 GGBDRM CC(C)Cn1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C(F)F ZINC000824284872 1446291361 /nfs/dbraw/zinc/29/13/61/1446291361.db2.gz QGFDLUDMHDWSFE-UHFFFAOYSA-N -1 0 378.343 3.309 20 5 GGBDRM CCOC(=O)c1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/57/34/08/1446573408.db2.gz TWPLVNYCQFYXMV-UHFFFAOYSA-N -1 0 394.435 3.208 20 5 GGBDRM CN(C)c1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736778826 1446591147 /nfs/dbraw/zinc/59/11/47/1446591147.db2.gz GGXTWZPXRYNWNH-KRWDZBQOSA-N -1 0 379.424 3.182 20 5 GGBDRM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000821118502 1446689120 /nfs/dbraw/zinc/68/91/20/1446689120.db2.gz NYJKBHVXTOKLBF-BJMVGYQFSA-N -1 0 393.407 3.249 20 5 GGBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825674048 1446754079 /nfs/dbraw/zinc/75/40/79/1446754079.db2.gz GSZRFTLPFYVPRG-NSHDSACASA-N -1 0 398.448 3.378 20 5 GGBDRM Cc1ccc(-c2nn[n-]n2)cc1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000826278474 1446815873 /nfs/dbraw/zinc/81/58/73/1446815873.db2.gz FAQONOFILAUOOC-UHFFFAOYSA-N -1 0 389.213 3.458 20 5 GGBDRM O=[N+]([O-])c1ccc(-c2noc(CSCc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000738359690 1446848715 /nfs/dbraw/zinc/84/87/15/1446848715.db2.gz MAACAYUWLAVNKA-UHFFFAOYSA-N -1 0 395.404 3.258 20 5 GGBDRM COc1cc(F)c([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1OC ZINC000737053726 1446873431 /nfs/dbraw/zinc/87/34/31/1446873431.db2.gz LCSCMVUDQWBPAS-SECBINFHSA-N -1 0 388.359 3.104 20 5 GGBDRM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823635498 1446956552 /nfs/dbraw/zinc/95/65/52/1446956552.db2.gz YITFKMYSGIEFEB-UHFFFAOYSA-N -1 0 380.133 3.469 20 5 GGBDRM O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826466713 1446960446 /nfs/dbraw/zinc/96/04/46/1446960446.db2.gz PZUFUXRITMSVNP-UHFFFAOYSA-N -1 0 383.295 3.017 20 5 GGBDRM CC(C)[C@H]1OCCC[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820047304 1447038458 /nfs/dbraw/zinc/03/84/58/1447038458.db2.gz XBEGZUMLCSQVBP-KPZWWZAWSA-N -1 0 397.439 3.186 20 5 GGBDRM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC000824044997 1447167580 /nfs/dbraw/zinc/16/75/80/1447167580.db2.gz CNKIMJCJPCKUPL-QMMMGPOBSA-N -1 0 390.762 3.310 20 5 GGBDRM O=[N+]([O-])c1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1-c1nn[n-]n1 ZINC000823634680 1447231769 /nfs/dbraw/zinc/23/17/69/1447231769.db2.gz JVWWJBSGGNFHOW-UHFFFAOYSA-N -1 0 390.407 3.035 20 5 GGBDRM CC(C)(CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCCO1 ZINC000819984034 1447282181 /nfs/dbraw/zinc/28/21/81/1447282181.db2.gz NYODAHSUHBYMMI-INIZCTEOSA-N -1 0 397.439 3.330 20 5 GGBDRM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Br ZINC000820461669 1447320131 /nfs/dbraw/zinc/32/01/31/1447320131.db2.gz PGYMJCIYPVZKGD-MRVPVSSYSA-N -1 0 390.201 3.106 20 5 GGBDRM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000823630251 1447323303 /nfs/dbraw/zinc/32/33/03/1447323303.db2.gz UHTLTXZHZHGMNZ-QGZVFWFLSA-N -1 0 394.435 3.003 20 5 GGBDRM COc1ccc(-c2nn[n-]n2)cc1NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000737061570 1447340827 /nfs/dbraw/zinc/34/08/27/1447340827.db2.gz AXFIUZMNRRKBCE-UHFFFAOYSA-N -1 0 384.396 3.183 20 5 GGBDRM CC(C)(C)OC(=O)C1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000824093408 1449160213 /nfs/dbraw/zinc/16/02/13/1449160213.db2.gz HEZJBIIIDOWFBY-UHFFFAOYSA-N -1 0 388.428 3.087 20 5 GGBDRM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826454155 1449224254 /nfs/dbraw/zinc/22/42/54/1449224254.db2.gz LGTLHKJDUUWAOQ-UHFFFAOYSA-N -1 0 396.260 3.185 20 5 GGBDRM CC(C)(C)c1ccc([C@@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735648870 1449313168 /nfs/dbraw/zinc/31/31/68/1449313168.db2.gz IETTXTIAGJMKLF-KRWDZBQOSA-N -1 0 382.424 3.218 20 5 GGBDRM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826452090 1449350838 /nfs/dbraw/zinc/35/08/38/1449350838.db2.gz HKCLKRHBZFRDPG-UHFFFAOYSA-N -1 0 399.798 3.019 20 5 GGBDRM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000738268693 1449395580 /nfs/dbraw/zinc/39/55/80/1449395580.db2.gz RDMNDFJEKOORAS-CYBMUJFWSA-N -1 0 396.382 3.013 20 5 GGBDRM Cc1cccc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822304474 1449431472 /nfs/dbraw/zinc/43/14/72/1449431472.db2.gz YJELPKQTOSSJTI-UHFFFAOYSA-N -1 0 375.392 3.286 20 5 GGBDRM O=[N+]([O-])c1ccccc1CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826500715 1449442606 /nfs/dbraw/zinc/44/26/06/1449442606.db2.gz JNSYAFFIJWQQMX-UHFFFAOYSA-N -1 0 396.798 3.226 20 5 GGBDRM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000826459673 1449456834 /nfs/dbraw/zinc/45/68/34/1449456834.db2.gz UFMHWERTDOBANN-UHFFFAOYSA-N -1 0 393.388 3.151 20 5 GGBDRM Cc1c(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236390 1449488897 /nfs/dbraw/zinc/48/88/97/1449488897.db2.gz KCYOGQXFBJTGFP-UHFFFAOYSA-N -1 0 387.783 3.023 20 5 GGBDRM CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000820921037 1449521820 /nfs/dbraw/zinc/52/18/20/1449521820.db2.gz VBBGIFDFXBNXIF-CQSZACIVSA-N -1 0 397.395 3.056 20 5 GGBDRM Cc1ccc(CCC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000822236378 1449583262 /nfs/dbraw/zinc/58/32/62/1449583262.db2.gz WRXGSTURSJFSNP-UHFFFAOYSA-N -1 0 393.451 3.328 20 5 GGBDRM CCc1oc2ccccc2c1CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821563930 1449695886 /nfs/dbraw/zinc/69/58/86/1449695886.db2.gz MROXWHYAOHGJFI-UHFFFAOYSA-N -1 0 379.380 3.115 20 5 GGBDRM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000825693875 1449790411 /nfs/dbraw/zinc/79/04/11/1449790411.db2.gz GVZKYHUIILBTMY-UHFFFAOYSA-N -1 0 397.420 3.061 20 5 GGBDRM C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820351406 1449886798 /nfs/dbraw/zinc/88/67/98/1449886798.db2.gz OLBFFDRLSUWYDE-LBPRGKRZSA-N -1 0 395.423 3.070 20 5 GGBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823065974 1449925691 /nfs/dbraw/zinc/92/56/91/1449925691.db2.gz HEGDDZHYTBERGB-UHFFFAOYSA-N -1 0 390.812 3.159 20 5 GGBDRM CCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821417552 1449965148 /nfs/dbraw/zinc/96/51/48/1449965148.db2.gz OJWGKDDCHFDQNN-NSHDSACASA-N -1 0 383.364 3.092 20 5 GGBDRM C[C@H](CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1nccs1 ZINC000824413288 1450092219 /nfs/dbraw/zinc/09/22/19/1450092219.db2.gz KHXITSHIKRQASA-SNVBAGLBSA-N -1 0 396.436 3.020 20 5 GGBDRM CN(CCc1cccs1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821607446 1450132030 /nfs/dbraw/zinc/13/20/30/1450132030.db2.gz OPXYRUHCHNDYBE-UHFFFAOYSA-N -1 0 381.421 3.064 20 5 GGBDRM O=[N+]([O-])c1ccc(CCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000738361731 1450132235 /nfs/dbraw/zinc/13/22/35/1450132235.db2.gz ZJWVVOCANATDMB-UHFFFAOYSA-N -1 0 378.314 3.448 20 5 GGBDRM O=[N+]([O-])c1cnc(Nc2ccc(Nc3ccccc3)nc2)c(-c2nn[n-]n2)c1 ZINC000738375340 1450214773 /nfs/dbraw/zinc/21/47/73/1450214773.db2.gz YUMOAKCDSDZALD-UHFFFAOYSA-N -1 0 375.352 3.052 20 5 GGBDRM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000738268696 1450280865 /nfs/dbraw/zinc/28/08/65/1450280865.db2.gz RDMNDFJEKOORAS-ZDUSSCGKSA-N -1 0 396.382 3.013 20 5 GGBDRM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC000824046175 1450362522 /nfs/dbraw/zinc/36/25/22/1450362522.db2.gz QCVOPQIVEAEDNW-SSDOTTSWSA-N -1 0 378.801 3.232 20 5 GGBDRM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820634797 1450445992 /nfs/dbraw/zinc/44/59/92/1450445992.db2.gz KATHWKWWOUPCTC-FXAWDEMLSA-N -1 0 387.403 3.465 20 5 GGBDRM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000821613532 1450459305 /nfs/dbraw/zinc/45/93/05/1450459305.db2.gz REVDEMIZWJRNOT-UHFFFAOYSA-N -1 0 376.323 3.013 20 5 GGBDRM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820391111 1450491527 /nfs/dbraw/zinc/49/15/27/1450491527.db2.gz NFZGBMIFMQEOJX-JTQLQIEISA-N -1 0 394.416 3.481 20 5 GGBDRM O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826497955 1450523716 /nfs/dbraw/zinc/52/37/16/1450523716.db2.gz ALINPOLJFSDVFX-INIZCTEOSA-N -1 0 386.799 3.006 20 5 GGBDRM