smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(C)Cc1nn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684933 719619809 /nfs/dbraw/zinc/61/98/09/719619809.db2.gz YZOAIUVYZRHJAF-UHFFFAOYSA-N 1 0 399.282 2.968 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812357 720072992 /nfs/dbraw/zinc/07/29/92/720072992.db2.gz QTLXWXKJYGYBCP-KDOFPFPSSA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810913 720087334 /nfs/dbraw/zinc/08/73/34/720087334.db2.gz MFRVNEAYWPQANH-KKSFZXQISA-N 1 0 397.479 2.723 20 5 GFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001164728175 720513576 /nfs/dbraw/zinc/51/35/76/720513576.db2.gz JUTBLGFBOONWHO-SNVBAGLBSA-N 1 0 385.255 2.691 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164769092 721123825 /nfs/dbraw/zinc/12/38/25/721123825.db2.gz PMNGVOHTODHWKW-IRXDYDNUSA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1c(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971381 722124350 /nfs/dbraw/zinc/12/43/50/722124350.db2.gz BSDFNUYILYJDFA-UYAOXDASSA-N 1 0 397.479 2.729 20 5 GFBDRO Cc1c(Br)c(NC[C@@H]2C[N@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000542507305 532774309 /nfs/dbraw/zinc/77/43/09/532774309.db2.gz OEYYLSHLQHCYBV-GFCCVEGCSA-N 1 0 387.278 2.829 20 5 GFBDRO Cn1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053446964 205136361 /nfs/dbraw/zinc/13/63/61/205136361.db2.gz HNIVTPJPQJMGLY-UHFFFAOYSA-N 1 0 383.452 2.696 20 5 GFBDRO Nc1nc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000097138792 206225303 /nfs/dbraw/zinc/22/53/03/206225303.db2.gz SREYOEWQIOUFMW-UHFFFAOYSA-N 1 0 396.373 2.698 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1 ZINC000071961975 136166857 /nfs/dbraw/zinc/16/68/57/136166857.db2.gz NSTUZJDVNNUSGF-UHFFFAOYSA-N 1 0 387.465 2.716 20 5 GFBDRO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688260 551322929 /nfs/dbraw/zinc/32/29/29/551322929.db2.gz MPOWZXYKCLQBCT-CYBMUJFWSA-N 1 0 375.516 2.611 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)cs1 ZINC000131034524 551371463 /nfs/dbraw/zinc/37/14/63/551371463.db2.gz SRCMNSXQOHMXTC-NSHDSACASA-N 1 0 387.255 2.948 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000153143665 551447284 /nfs/dbraw/zinc/44/72/84/551447284.db2.gz IWZLFSKTVMEQCD-ZDUSSCGKSA-N 1 0 382.258 2.500 20 5 GFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153973716 551464605 /nfs/dbraw/zinc/46/46/05/551464605.db2.gz ALGKVEQHJPEFAP-UKRRQHHQSA-N 1 0 396.285 2.985 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000155214255 551494533 /nfs/dbraw/zinc/49/45/33/551494533.db2.gz KAHFEGHPXQGJEP-CHWSQXEVSA-N 1 0 384.274 2.889 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000164085869 551623897 /nfs/dbraw/zinc/62/38/97/551623897.db2.gz FGXBNTFMBSMNRF-RISCZKNCSA-N 1 0 382.258 2.914 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000173515801 552087371 /nfs/dbraw/zinc/08/73/71/552087371.db2.gz QLPCJFHBWPAWDR-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000174026489 552096899 /nfs/dbraw/zinc/09/68/99/552096899.db2.gz ZIRIEHYOVYZQCG-LBPRGKRZSA-N 1 0 375.878 2.519 20 5 GFBDRO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1Br ZINC000182064063 552274377 /nfs/dbraw/zinc/27/43/77/552274377.db2.gz ADWWLYNMHBSTAQ-NSHDSACASA-N 1 0 396.241 2.878 20 5 GFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000182278573 552280423 /nfs/dbraw/zinc/28/04/23/552280423.db2.gz PAOUFQLCPFWDGC-GXTWGEPZSA-N 1 0 386.246 2.843 20 5 GFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184111576 552327383 /nfs/dbraw/zinc/32/73/83/552327383.db2.gz WWWHENCTORPOEA-UHFFFAOYSA-N 1 0 389.905 2.788 20 5 GFBDRO C[C@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC[NH2+]1 ZINC000237579384 553079315 /nfs/dbraw/zinc/07/93/15/553079315.db2.gz ZGOWAIZEUNUQBZ-VIFPVBQESA-N 1 0 384.223 2.521 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000246185117 553104070 /nfs/dbraw/zinc/10/40/70/553104070.db2.gz COBJBFIJPIUEHK-JSGCOSHPSA-N 1 0 382.258 2.914 20 5 GFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761261 564247743 /nfs/dbraw/zinc/24/77/43/564247743.db2.gz VIMREGXVWXZIFH-CYBMUJFWSA-N 1 0 378.210 2.840 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423968071 563365790 /nfs/dbraw/zinc/36/57/90/563365790.db2.gz HQJKVABPEYSHMJ-CZUORRHYSA-N 1 0 396.285 2.890 20 5 GFBDRO C[C@@H]1CC2(CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC[NH2+]CC2 ZINC000424222150 563374817 /nfs/dbraw/zinc/37/48/17/563374817.db2.gz CULGVIJDROUPOV-GFCCVEGCSA-N 1 0 396.285 2.890 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000408001173 563541322 /nfs/dbraw/zinc/54/13/22/563541322.db2.gz AVIAMLCLYAENOC-JQWIXIFHSA-N 1 0 382.258 2.974 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332085193 563575590 /nfs/dbraw/zinc/57/55/90/563575590.db2.gz QGJDTQJDAXGMKX-AAEUAGOBSA-N 1 0 387.889 2.804 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000289938968 563692142 /nfs/dbraw/zinc/69/21/42/563692142.db2.gz PNUQMXCVRNOERS-JTQLQIEISA-N 1 0 376.194 2.716 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364079409 563742276 /nfs/dbraw/zinc/74/22/76/563742276.db2.gz UISWGVCBSDULIX-QWHCGFSZSA-N 1 0 382.258 2.643 20 5 GFBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000364119528 563744042 /nfs/dbraw/zinc/74/40/42/563744042.db2.gz JKTPAJUWIKJJQQ-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366701640 563817929 /nfs/dbraw/zinc/81/79/29/563817929.db2.gz LUSGALXGHQDAEJ-LBPRGKRZSA-N 1 0 397.273 2.700 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416499401 563839373 /nfs/dbraw/zinc/83/93/73/563839373.db2.gz BHDCHZZKEITQKR-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000369036503 563885128 /nfs/dbraw/zinc/88/51/28/563885128.db2.gz RPVCFPVVCHRGNN-UHFFFAOYSA-N 1 0 381.479 2.576 20 5 GFBDRO CS[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000450266601 564224898 /nfs/dbraw/zinc/22/48/98/564224898.db2.gz RVNPGKIPCFVWAH-OLZOCXBDSA-N 1 0 377.388 2.731 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000564504410 564236581 /nfs/dbraw/zinc/23/65/81/564236581.db2.gz KCVIYXAEOFMVMF-VXGBXAGGSA-N 1 0 375.878 2.742 20 5 GFBDRO CS[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000543311628 564345464 /nfs/dbraw/zinc/34/54/64/564345464.db2.gz PAVLGBOBHHZVPP-JSGCOSHPSA-N 1 0 389.930 2.844 20 5 GFBDRO C[C@@H]1CSC[C@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177953 564395121 /nfs/dbraw/zinc/39/51/21/564395121.db2.gz HLGOOTJDYHHRCH-ZWNOBZJWSA-N 1 0 378.479 2.998 20 5 GFBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615089 564427153 /nfs/dbraw/zinc/42/71/53/564427153.db2.gz YGVFOINHMPRPKN-DLGQBQFBSA-N 1 0 376.194 2.616 20 5 GFBDRO Cc1cnc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000453593156 564458812 /nfs/dbraw/zinc/45/88/12/564458812.db2.gz GIYMJNITDMARCK-UHFFFAOYSA-N 1 0 398.204 2.630 20 5 GFBDRO C[C@H]([N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000570038937 564488416 /nfs/dbraw/zinc/48/84/16/564488416.db2.gz JEQIHUBNDZZRJZ-VIFPVBQESA-N 1 0 378.210 2.791 20 5 GFBDRO Cn1ncc(Br)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570479313 564507415 /nfs/dbraw/zinc/50/74/15/564507415.db2.gz FRHBMGXXBPHFEL-UHFFFAOYSA-N 1 0 378.230 2.904 20 5 GFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000571568303 564557502 /nfs/dbraw/zinc/55/75/02/564557502.db2.gz NUHNTWYFBGTUED-UHFFFAOYSA-N 1 0 383.857 2.570 20 5 GFBDRO COc1ccc(OCC[N@H+](C)CCn2cc(Br)cn2)c([N+](=O)[O-])c1 ZINC000572039813 564579089 /nfs/dbraw/zinc/57/90/89/564579089.db2.gz IYMSFIFBJWNJPD-UHFFFAOYSA-N 1 0 399.245 2.573 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ccccc2CO)c1 ZINC000572471445 564596372 /nfs/dbraw/zinc/59/63/72/564596372.db2.gz XAKKGXKEECWEDH-UHFFFAOYSA-N 1 0 398.200 2.982 20 5 GFBDRO C[N@H+](CCc1cnccn1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000521689541 564633956 /nfs/dbraw/zinc/63/39/56/564633956.db2.gz JQYKXKJDNPQDAD-UHFFFAOYSA-N 1 0 398.204 2.664 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(I)cc1[N+](=O)[O-] ZINC000524638130 564684148 /nfs/dbraw/zinc/68/41/48/564684148.db2.gz HYBNDTFEPWQYPH-NSHDSACASA-N 1 0 389.237 2.977 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000574939454 564689233 /nfs/dbraw/zinc/68/92/33/564689233.db2.gz QIVQQJFFIKPZIO-CQSZACIVSA-N 1 0 381.479 2.599 20 5 GFBDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000577303239 564733853 /nfs/dbraw/zinc/73/38/53/564733853.db2.gz LLJICJQOAYLBJT-WKPIXPDZSA-N 1 0 386.905 2.553 20 5 GFBDRO C[C@@H]1[C@H](C)N(Cc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000554934871 564778056 /nfs/dbraw/zinc/77/80/56/564778056.db2.gz KVCQRMUKOYMJAO-MNOVXSKESA-N 1 0 389.237 2.724 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462684633 564854787 /nfs/dbraw/zinc/85/47/87/564854787.db2.gz UHAZGSRUNZSZEU-JTQLQIEISA-N 1 0 396.296 2.864 20 5 GFBDRO C[C@H](O)[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410073 564889849 /nfs/dbraw/zinc/88/98/49/564889849.db2.gz SBCMVKUOVSNVNU-CMPLNLGQSA-N 1 0 390.221 2.792 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000583841925 564910079 /nfs/dbraw/zinc/91/00/79/564910079.db2.gz SFTSFHWMKHKDHQ-HZMBPMFUSA-N 1 0 390.221 2.840 20 5 GFBDRO C[C@H](CC[NH+](C)C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562078370 565017472 /nfs/dbraw/zinc/01/74/72/565017472.db2.gz DBVATRSYJDUEMO-SNVBAGLBSA-N 1 0 377.226 2.629 20 5 GFBDRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537637421 565060450 /nfs/dbraw/zinc/06/04/50/565060450.db2.gz JVLZAZXNWWRFAT-GFCCVEGCSA-N 1 0 381.479 2.576 20 5 GFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2C1 ZINC000591681286 565236653 /nfs/dbraw/zinc/23/66/53/565236653.db2.gz BUHSBUHOQRIUGW-JTQLQIEISA-N 1 0 391.225 2.821 20 5 GFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000619578940 565349921 /nfs/dbraw/zinc/34/99/21/565349921.db2.gz VLJLMRWNOBFOSW-CYBMUJFWSA-N 1 0 384.274 2.843 20 5 GFBDRO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000619586972 565350804 /nfs/dbraw/zinc/35/08/04/565350804.db2.gz MNPNUKZMYOWETD-LBPRGKRZSA-N 1 0 383.290 2.938 20 5 GFBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1CC[NH3+] ZINC000593916205 565367673 /nfs/dbraw/zinc/36/76/73/565367673.db2.gz NHOMULCXXOARCK-XHDPSFHLSA-N 1 0 384.274 2.876 20 5 GFBDRO Cc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000594956644 565436812 /nfs/dbraw/zinc/43/68/12/565436812.db2.gz LZWFTUQQXAQOHR-UHFFFAOYSA-N 1 0 393.241 2.580 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000595113938 565449069 /nfs/dbraw/zinc/44/90/69/565449069.db2.gz POWIDJNGSUVHKJ-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595119043 565450207 /nfs/dbraw/zinc/45/02/07/565450207.db2.gz ZCKUZXPLYICWKD-DGCLKSJQSA-N 1 0 375.878 2.776 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597923771 565581303 /nfs/dbraw/zinc/58/13/03/565581303.db2.gz PKALCDGHVAGBSM-GFCCVEGCSA-N 1 0 384.274 2.889 20 5 GFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599974774 565709058 /nfs/dbraw/zinc/70/90/58/565709058.db2.gz FULHRNQVFOYYHT-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO C[NH+](C)C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000600474092 565731605 /nfs/dbraw/zinc/73/16/05/565731605.db2.gz WXGHOFNSVNUDOA-ZDUSSCGKSA-N 1 0 386.239 2.517 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601352126 565777060 /nfs/dbraw/zinc/77/70/60/565777060.db2.gz SAQKXYIIYXLKPB-CABZTGNLSA-N 1 0 394.280 2.664 20 5 GFBDRO CC[C@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611336018 566126585 /nfs/dbraw/zinc/12/65/85/566126585.db2.gz OTAIPKKSSSWCBP-CYBMUJFWSA-N 1 0 383.495 2.546 20 5 GFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC000822304205 607114772 /nfs/dbraw/zinc/11/47/72/607114772.db2.gz SFBZCZFZEMFSNW-UHFFFAOYSA-N 1 0 381.440 2.652 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500119 608280788 /nfs/dbraw/zinc/28/07/88/608280788.db2.gz LXAUTAOUKVWXKD-SFHVURJKSA-N 1 0 394.435 2.765 20 5 GFBDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202126 608287005 /nfs/dbraw/zinc/28/70/05/608287005.db2.gz PAQIPVSPWFQVKI-ZDUSSCGKSA-N 1 0 382.424 2.894 20 5 GFBDRO COc1ccc(OCC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000826211595 608485153 /nfs/dbraw/zinc/48/51/53/608485153.db2.gz MCKSRWQPIIUQAN-GFCCVEGCSA-N 1 0 384.396 2.513 20 5 GFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000826664671 660460701 /nfs/dbraw/zinc/46/07/01/660460701.db2.gz CEEJIOOYAXMMHF-UHFFFAOYSA-N 1 0 397.273 2.889 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000827295945 660487814 /nfs/dbraw/zinc/48/78/14/660487814.db2.gz CISRDMPPWPPXRM-SKDRFNHKSA-N 1 0 386.221 2.663 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1Cl ZINC000830002435 660629430 /nfs/dbraw/zinc/62/94/30/660629430.db2.gz KDUPTIGFECWDMO-WDEREUQCSA-N 1 0 394.280 2.807 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1Cl ZINC000830357195 660650001 /nfs/dbraw/zinc/65/00/01/660650001.db2.gz MKTFJERZGAHPJF-SNVBAGLBSA-N 1 0 394.280 2.760 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(Cc1cccc([N+](=O)[O-])c1Br)CCO2 ZINC000830651433 660668817 /nfs/dbraw/zinc/66/88/17/660668817.db2.gz CMMCRFIFVYLSSF-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000831217878 660704066 /nfs/dbraw/zinc/70/40/66/660704066.db2.gz NGAGVQFFNQZDSN-UWVGGRQHSA-N 1 0 385.262 2.551 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000832761839 660799046 /nfs/dbraw/zinc/79/90/46/660799046.db2.gz RVCXUBQVLLSELA-GFCCVEGCSA-N 1 0 375.878 2.660 20 5 GFBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124866888 654783226 /nfs/dbraw/zinc/78/32/26/654783226.db2.gz GLOWVJORJRBXJG-UHFFFAOYSA-N 1 0 382.269 2.792 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000058178716 654816072 /nfs/dbraw/zinc/81/60/72/654816072.db2.gz KCFSDJZTGXMIEI-RYUDHWBXSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822750 654821848 /nfs/dbraw/zinc/82/18/48/654821848.db2.gz XRTUCWQJGZLKEX-YPMHNXCESA-N 1 0 387.527 2.896 20 5 GFBDRO CC1CC[NH+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000131245995 654900167 /nfs/dbraw/zinc/90/01/67/654900167.db2.gz VLZHYGIQUIERPL-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCCO)o2)c(Br)c1 ZINC000067697470 654943086 /nfs/dbraw/zinc/94/30/86/654943086.db2.gz WSBFHIIIQVRAMR-UHFFFAOYSA-N 1 0 385.214 2.716 20 5 GFBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)NS(C)(=O)=O ZINC000068989868 654971109 /nfs/dbraw/zinc/97/11/09/654971109.db2.gz LHYXQWXCTMCKGI-UHFFFAOYSA-N 1 0 383.495 2.741 20 5 GFBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000269106284 654997861 /nfs/dbraw/zinc/99/78/61/654997861.db2.gz BUOKDXYTWPBBEU-LBPRGKRZSA-N 1 0 378.479 2.945 20 5 GFBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000270238499 655038342 /nfs/dbraw/zinc/03/83/42/655038342.db2.gz PQPBTZOYMIJOTG-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1=CC[N@H+](C)CC1 ZINC000273045363 655128539 /nfs/dbraw/zinc/12/85/39/655128539.db2.gz WSGUEPUUQNLAEU-SECBINFHSA-N 1 0 386.221 2.877 20 5 GFBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163512682 655135589 /nfs/dbraw/zinc/13/55/89/655135589.db2.gz UKSPXRNTDGTEIZ-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000273566653 655148378 /nfs/dbraw/zinc/14/83/78/655148378.db2.gz YLXIRDCTERWGEZ-HZPDHXFCSA-N 1 0 381.523 2.969 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000173276106 655166814 /nfs/dbraw/zinc/16/68/14/655166814.db2.gz NDQINJMZJKLJSC-ZYHUDNBSSA-N 1 0 375.878 2.660 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1Br ZINC000839615300 661095979 /nfs/dbraw/zinc/09/59/79/661095979.db2.gz VURJOTDSQMIMHL-JKSUJKDBSA-N 1 0 385.258 2.767 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000839505268 661088435 /nfs/dbraw/zinc/08/84/35/661088435.db2.gz PLRVHPIIPKLJLO-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277086720 655302576 /nfs/dbraw/zinc/30/25/76/655302576.db2.gz USTCIKFXEZIPBG-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000119547959 655306544 /nfs/dbraw/zinc/30/65/44/655306544.db2.gz APQJUFPEVJIVRN-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000178744488 655308957 /nfs/dbraw/zinc/30/89/57/655308957.db2.gz ISNROSRWTBEYRW-VIFPVBQESA-N 1 0 384.223 2.569 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000246224599 655429503 /nfs/dbraw/zinc/42/95/03/655429503.db2.gz HDRVBFUKZFIOTJ-GXTWGEPZSA-N 1 0 389.905 2.907 20 5 GFBDRO CC[N@H+](CCC(=O)OC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027257 655456258 /nfs/dbraw/zinc/45/62/58/655456258.db2.gz HJLNAGDPZGWZOH-UHFFFAOYSA-N 1 0 392.193 2.584 20 5 GFBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579121980 655494476 /nfs/dbraw/zinc/49/44/76/655494476.db2.gz RCKWBNCAMHWKQM-ZDUSSCGKSA-N 1 0 383.392 2.655 20 5 GFBDRO C[NH+]1CCC(N2CC[C@@H](Nc3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596123128 655513977 /nfs/dbraw/zinc/51/39/77/655513977.db2.gz NFIOSZBPHWLRBQ-GFCCVEGCSA-N 1 0 383.290 2.938 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000752235544 655841147 /nfs/dbraw/zinc/84/11/47/655841147.db2.gz SPXSHIHPAAHIDS-UHFFFAOYSA-N 1 0 375.878 2.711 20 5 GFBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCCOC1 ZINC000770673828 656326386 /nfs/dbraw/zinc/32/63/86/656326386.db2.gz JGGSLBALBLVLOD-HNNXBMFYSA-N 1 0 387.230 2.559 20 5 GFBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000792307942 658266431 /nfs/dbraw/zinc/26/64/31/658266431.db2.gz MPWOCILYQVFUAK-UHFFFAOYSA-N 1 0 392.193 2.616 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795911096 658870868 /nfs/dbraw/zinc/87/08/68/658870868.db2.gz BBVPEONIBRQMCT-SNVBAGLBSA-N 1 0 393.868 2.738 20 5 GFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000798226290 659085124 /nfs/dbraw/zinc/08/51/24/659085124.db2.gz GRSJKVSSRIOVTN-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805112896 659741911 /nfs/dbraw/zinc/74/19/11/659741911.db2.gz FIDRGKADEZDKOZ-OCCSQVGLSA-N 1 0 387.889 2.804 20 5 GFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000809560780 659931976 /nfs/dbraw/zinc/93/19/76/659931976.db2.gz RKKNDZLLXQFITL-STQMWFEESA-N 1 0 383.754 2.724 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000809815499 659941379 /nfs/dbraw/zinc/94/13/79/659941379.db2.gz IVESDGQBHCGLJP-NSHDSACASA-N 1 0 391.852 2.636 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809820036 659942649 /nfs/dbraw/zinc/94/26/49/659942649.db2.gz LESHDNDHRMZOCH-WDEREUQCSA-N 1 0 393.868 2.881 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000809833266 659946880 /nfs/dbraw/zinc/94/68/80/659946880.db2.gz YZSIPNJEZANCOX-LLVKDONJSA-N 1 0 393.868 2.930 20 5 GFBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000813530400 660056378 /nfs/dbraw/zinc/05/63/78/660056378.db2.gz LZRNDCKMTPAKOO-SNVBAGLBSA-N 1 0 390.267 2.819 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000814996612 660100568 /nfs/dbraw/zinc/10/05/68/660100568.db2.gz SBYOCAODUUHNCK-NSHDSACASA-N 1 0 393.868 2.788 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815065452 660108799 /nfs/dbraw/zinc/10/87/99/660108799.db2.gz DHEBLXPLYGPKCJ-INIZCTEOSA-N 1 0 387.889 2.663 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000842782154 661353961 /nfs/dbraw/zinc/35/39/61/661353961.db2.gz UBVVKEJSKNYZJZ-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848508317 661658434 /nfs/dbraw/zinc/65/84/34/661658434.db2.gz KWELFCUJPVAIHJ-OLZOCXBDSA-N 1 0 387.889 2.852 20 5 GFBDRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(Br)n1 ZINC000858165007 662102666 /nfs/dbraw/zinc/10/26/66/662102666.db2.gz LIWAETFGSZKHKT-UHFFFAOYSA-N 1 0 378.230 2.904 20 5 GFBDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866048974 662458244 /nfs/dbraw/zinc/45/82/44/662458244.db2.gz DQYWDQLUGJPTCV-DGCLKSJQSA-N 1 0 384.274 2.841 20 5 GFBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cc(Br)ccc1=O ZINC000866367180 662469193 /nfs/dbraw/zinc/46/91/93/662469193.db2.gz WGVBBEOXZBWOOU-NSHDSACASA-N 1 0 398.232 2.879 20 5 GFBDRO C[C@@H](CNc1cc(F)cc(Br)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000881908067 663009217 /nfs/dbraw/zinc/00/92/17/663009217.db2.gz MAECPTOKFFMRJH-JTQLQIEISA-N 1 0 375.242 2.544 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883330287 663053591 /nfs/dbraw/zinc/05/35/91/663053591.db2.gz BMLVODOPHFVCMT-GFCCVEGCSA-N 1 0 399.289 2.888 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000884957228 663079540 /nfs/dbraw/zinc/07/95/40/663079540.db2.gz MWQPGJKNILWOLN-UWVGGRQHSA-N 1 0 394.280 2.807 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955248 663079559 /nfs/dbraw/zinc/07/95/59/663079559.db2.gz RNYNXVAMEXXDJH-ZJUUUORDSA-N 1 0 394.280 2.807 20 5 GFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCc4ncc(Br)n4C3)nc2c1 ZINC000898720209 663660247 /nfs/dbraw/zinc/66/02/47/663660247.db2.gz KDUHZRNMEVBCDR-SECBINFHSA-N 1 0 392.213 2.800 20 5 GFBDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000905358308 663867313 /nfs/dbraw/zinc/86/73/13/663867313.db2.gz HAUOMWDXQGRXHD-HNNXBMFYSA-N 1 0 387.889 2.647 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905428414 663871153 /nfs/dbraw/zinc/87/11/53/663871153.db2.gz RDJVPATYEXPZDF-AWEZNQCLSA-N 1 0 387.274 2.751 20 5 GFBDRO C[NH+](C)CC1(c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1 ZINC000923931610 664640283 /nfs/dbraw/zinc/64/02/83/664640283.db2.gz PZBGFNBSMTUYQH-UHFFFAOYSA-N 1 0 381.230 2.924 20 5 GFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000930032644 664761420 /nfs/dbraw/zinc/76/14/20/664761420.db2.gz NBZFUUPFIFGABG-UHFFFAOYSA-N 1 0 387.230 2.559 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933437759 664864051 /nfs/dbraw/zinc/86/40/51/664864051.db2.gz FWIAVKFYRUZYDG-ZWNOBZJWSA-N 1 0 399.289 2.742 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933779733 664877880 /nfs/dbraw/zinc/87/78/80/664877880.db2.gz QWNGAATWYRMRMS-NSHDSACASA-N 1 0 399.289 2.743 20 5 GFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001164729244 720510297 /nfs/dbraw/zinc/51/02/97/720510297.db2.gz JBPCLMIIWRJWFQ-JTQLQIEISA-N 1 0 385.255 2.691 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164836495 720710258 /nfs/dbraw/zinc/71/02/58/720710258.db2.gz BMAREJXIYAOJIJ-GOSISDBHSA-N 1 0 397.479 2.832 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164761881 721241972 /nfs/dbraw/zinc/24/19/72/721241972.db2.gz JRUBCWSMFKXZFJ-ZWKOTPCHSA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001164925988 721873085 /nfs/dbraw/zinc/87/30/85/721873085.db2.gz PNDLLMRKFMVKST-OALUTQOASA-N 1 0 396.495 2.575 20 5 GFBDRO Cc1ccc(-c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)cc1[N+](=O)[O-] ZINC001165036281 721914381 /nfs/dbraw/zinc/91/43/81/721914381.db2.gz BIAPIEPOKGPCJO-KRWDZBQOSA-N 1 0 383.452 2.661 20 5 GFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164951752 722017707 /nfs/dbraw/zinc/01/77/07/722017707.db2.gz DFSMIFZPVABOCF-UHFFFAOYSA-N 1 0 398.467 2.589 20 5 GFBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124410845 551314126 /nfs/dbraw/zinc/31/41/26/551314126.db2.gz RWYDHBZIFDWZJS-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)c1 ZINC000151252272 551410128 /nfs/dbraw/zinc/41/01/28/551410128.db2.gz ZLTRXIJQKBDJSC-UHFFFAOYSA-N 1 0 391.229 2.734 20 5 GFBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000153026634 551444678 /nfs/dbraw/zinc/44/46/78/551444678.db2.gz GKDMHNJKGVHXCU-YPMHNXCESA-N 1 0 384.274 2.841 20 5 GFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)c(Cl)cc1Cl ZINC000174662251 552108047 /nfs/dbraw/zinc/10/80/47/552108047.db2.gz GIBXOADXEZGJNY-WPRPVWTQSA-N 1 0 377.203 2.949 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180046741 552210980 /nfs/dbraw/zinc/21/09/80/552210980.db2.gz UAJPTFJLFCVBKU-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184655576 552341216 /nfs/dbraw/zinc/34/12/16/552341216.db2.gz FYVYVXDQLUTLLZ-UHFFFAOYSA-N 1 0 383.495 2.550 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000237779380 553081732 /nfs/dbraw/zinc/08/17/32/553081732.db2.gz ZUUCRUHCKLJQSY-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000246645418 553111491 /nfs/dbraw/zinc/11/14/91/553111491.db2.gz CNRSAWALEUYQRV-CVEARBPZSA-N 1 0 395.257 2.752 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246930654 553115505 /nfs/dbraw/zinc/11/55/05/553115505.db2.gz HBZAUZNCFMGFML-GXTWGEPZSA-N 1 0 387.889 2.661 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423968067 563365829 /nfs/dbraw/zinc/36/58/29/563365829.db2.gz HQJKVABPEYSHMJ-BBRMVZONSA-N 1 0 396.285 2.890 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375029000 563388108 /nfs/dbraw/zinc/38/81/08/563388108.db2.gz AFKAJENXJSBGSC-ABAIWWIYSA-N 1 0 382.258 2.832 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000375535546 563408890 /nfs/dbraw/zinc/40/88/90/563408890.db2.gz AGNMYJIEFVZJNU-QMTHXVAHSA-N 1 0 383.246 2.915 20 5 GFBDRO C[C@H]1CCC[C@@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301935143 563416110 /nfs/dbraw/zinc/41/61/10/563416110.db2.gz PBBJJRLJEVVNLX-XHDPSFHLSA-N 1 0 375.516 2.982 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000425466084 563423534 /nfs/dbraw/zinc/42/35/34/563423534.db2.gz AXECEFZFEMJHCK-CVEARBPZSA-N 1 0 385.258 2.767 20 5 GFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000376412195 563441270 /nfs/dbraw/zinc/44/12/70/563441270.db2.gz HDXCTLXHQIOTLU-WBMJQRKESA-N 1 0 396.285 2.985 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283851682 563457009 /nfs/dbraw/zinc/45/70/09/563457009.db2.gz GJILFSHUABUZHP-LLVKDONJSA-N 1 0 382.258 2.880 20 5 GFBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000377483690 563477168 /nfs/dbraw/zinc/47/71/68/563477168.db2.gz BVBFMUZQNLOURJ-UHFFFAOYSA-N 1 0 387.889 2.886 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330415661 563504844 /nfs/dbraw/zinc/50/48/44/563504844.db2.gz NPBIRVSMGKIMOS-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO C[NH+](C)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000331335474 563546398 /nfs/dbraw/zinc/54/63/98/563546398.db2.gz XRAMBPBJWSUHPA-UHFFFAOYSA-N 1 0 384.274 2.700 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331581256 563553756 /nfs/dbraw/zinc/55/37/56/563553756.db2.gz WPYTZOQNSXGLJK-PSLIRLAXSA-N 1 0 382.258 2.878 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000365106778 563774676 /nfs/dbraw/zinc/77/46/76/563774676.db2.gz WAQFRCQUWRGXNZ-UHFFFAOYSA-N 1 0 381.479 2.599 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000365725033 563791629 /nfs/dbraw/zinc/79/16/29/563791629.db2.gz FBMXUJVQNWWZTC-SECBINFHSA-N 1 0 376.276 2.975 20 5 GFBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000443991566 563817923 /nfs/dbraw/zinc/81/79/23/563817923.db2.gz VUKIGCYKNGRKLM-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO CCc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000539074942 564208922 /nfs/dbraw/zinc/20/89/22/564208922.db2.gz KZDXRVVSSXFVLP-LBPRGKRZSA-N 1 0 383.495 2.848 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000564504405 564236905 /nfs/dbraw/zinc/23/69/05/564236905.db2.gz KCVIYXAEOFMVMF-NEPJUHHUSA-N 1 0 375.878 2.742 20 5 GFBDRO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])c(C)c1Br ZINC000541577283 564284125 /nfs/dbraw/zinc/28/41/25/564284125.db2.gz CGEGYZMFOCBCKD-UHFFFAOYSA-N 1 0 389.294 2.855 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479285131 564434619 /nfs/dbraw/zinc/43/46/19/564434619.db2.gz PIUGMPBLKADKOO-UHFFFAOYSA-N 1 0 396.285 2.892 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000517093921 564524702 /nfs/dbraw/zinc/52/47/02/564524702.db2.gz UGIQLXROXVJVOP-HNNXBMFYSA-N 1 0 383.246 2.883 20 5 GFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000521171576 564621065 /nfs/dbraw/zinc/62/10/65/564621065.db2.gz QVPMHUGCJAYDHT-GFCCVEGCSA-N 1 0 375.516 2.835 20 5 GFBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749206 564760070 /nfs/dbraw/zinc/76/00/70/564760070.db2.gz GZKOGXRYNIBHAA-KBPBESRZSA-N 1 0 398.257 2.843 20 5 GFBDRO CN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000582072653 564829623 /nfs/dbraw/zinc/82/96/23/564829623.db2.gz CECWKGXSCUGIQA-CQSZACIVSA-N 1 0 381.479 2.554 20 5 GFBDRO C[C@@H](CCc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000462792328 564858753 /nfs/dbraw/zinc/85/87/53/564858753.db2.gz UTVVDEOMMAHSAX-ZDUSSCGKSA-N 1 0 383.495 2.546 20 5 GFBDRO CCOC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000503444604 565019236 /nfs/dbraw/zinc/01/92/36/565019236.db2.gz ZDDJQSNEZUOHSX-AWEZNQCLSA-N 1 0 388.262 2.947 20 5 GFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470678269 565053183 /nfs/dbraw/zinc/05/31/83/565053183.db2.gz NGPXSVATFXUFDI-CYBMUJFWSA-N 1 0 384.274 2.889 20 5 GFBDRO CS[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000537925162 565064558 /nfs/dbraw/zinc/06/45/58/565064558.db2.gz MKCHNQRMBZPVMO-HIFRSBDPSA-N 1 0 387.889 2.521 20 5 GFBDRO CC[C@@H](Cc1ccccc1Br)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584464667 565081516 /nfs/dbraw/zinc/08/15/16/565081516.db2.gz CSVSUGKUIHSHSS-ZFWWWQNUSA-N 1 0 397.273 2.526 20 5 GFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000592828125 565299197 /nfs/dbraw/zinc/29/91/97/565299197.db2.gz CTSCEZQOACKMGC-AWEZNQCLSA-N 1 0 384.274 2.843 20 5 GFBDRO CCC[N@@H+]1CC[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992111 565439464 /nfs/dbraw/zinc/43/94/64/565439464.db2.gz PAGIBVZPNGAUKX-CYBMUJFWSA-N 1 0 389.237 2.773 20 5 GFBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000599098847 565656342 /nfs/dbraw/zinc/65/63/42/565656342.db2.gz CVZHWPAFVMSONB-LBPRGKRZSA-N 1 0 382.269 2.520 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601352127 565776560 /nfs/dbraw/zinc/77/65/60/565776560.db2.gz SAQKXYIIYXLKPB-JOYOIKCWSA-N 1 0 394.280 2.664 20 5 GFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601356650 565778609 /nfs/dbraw/zinc/77/86/09/565778609.db2.gz UULHDCJNSWAFOA-UHFFFAOYSA-N 1 0 375.516 2.707 20 5 GFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422761 565782509 /nfs/dbraw/zinc/78/25/09/565782509.db2.gz YGLOOQWZIUTDQJ-LDYMZIIASA-N 1 0 382.269 2.615 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000610668438 566092252 /nfs/dbraw/zinc/09/22/52/566092252.db2.gz FGXGDVPTZVINJA-ZDUSSCGKSA-N 1 0 384.274 2.890 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738360322 598944796 /nfs/dbraw/zinc/94/47/96/598944796.db2.gz VPHMMAQGSBKNFW-INIZCTEOSA-N 1 0 379.424 2.851 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267602 599258245 /nfs/dbraw/zinc/25/82/45/599258245.db2.gz OWZODCGAFSYJHE-CYBMUJFWSA-N 1 0 396.455 3.000 20 5 GFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981684 599554741 /nfs/dbraw/zinc/55/47/41/599554741.db2.gz VPRRVNHRZNKCHX-CYBMUJFWSA-N 1 0 396.455 3.000 20 5 GFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000824779100 607679704 /nfs/dbraw/zinc/67/97/04/607679704.db2.gz SJZKLNNOTMXSOU-ZDUSSCGKSA-N 1 0 394.439 2.807 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822229600 606417241 /nfs/dbraw/zinc/41/72/41/606417241.db2.gz XWCRGCZDIFCUAN-QWHCGFSZSA-N 1 0 395.423 2.761 20 5 GFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820570315 606710637 /nfs/dbraw/zinc/71/06/37/606710637.db2.gz HBRGZYVECJBBQZ-CYBMUJFWSA-N 1 0 394.439 2.807 20 5 GFBDRO CCOc1ccc([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825631945 608281660 /nfs/dbraw/zinc/28/16/60/608281660.db2.gz JLEITTLPTIHNCC-ZDUSSCGKSA-N 1 0 398.423 2.903 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1[N+](=O)[O-] ZINC000826283260 608308613 /nfs/dbraw/zinc/30/86/13/608308613.db2.gz NOLRUTRMNSQHOK-LBPRGKRZSA-N 1 0 378.396 2.582 20 5 GFBDRO COc1c(C)cnc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)c1C ZINC000825652336 660436136 /nfs/dbraw/zinc/43/61/36/660436136.db2.gz GKRFCGQGZAXQEN-UHFFFAOYSA-N 1 0 395.213 2.703 20 5 GFBDRO CCO[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000831707673 660720830 /nfs/dbraw/zinc/72/08/30/660720830.db2.gz KCBSEPWCFVWSNU-QMMMGPOBSA-N 1 0 382.219 2.737 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000832763716 660798903 /nfs/dbraw/zinc/79/89/03/660798903.db2.gz CIGMPKDPDXTNIA-GFCCVEGCSA-N 1 0 375.878 2.660 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000066096043 654894572 /nfs/dbraw/zinc/89/45/72/654894572.db2.gz JSKPIEQPKJYDTB-UHFFFAOYSA-N 1 0 375.878 2.742 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000093817527 655021371 /nfs/dbraw/zinc/02/13/71/655021371.db2.gz GPOXUKKCCNMWLU-AWEZNQCLSA-N 1 0 384.274 2.511 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173670599 655175986 /nfs/dbraw/zinc/17/59/86/655175986.db2.gz IYZPDMLSRHGOLL-ZDUSSCGKSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000176674091 655251895 /nfs/dbraw/zinc/25/18/95/655251895.db2.gz KXPXFOUKNPDSEC-NSHDSACASA-N 1 0 375.878 2.567 20 5 GFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1Br ZINC000120834839 655345021 /nfs/dbraw/zinc/34/50/21/655345021.db2.gz CAMDMTIVLHZDEV-UHFFFAOYSA-N 1 0 393.241 2.662 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289357523 655347492 /nfs/dbraw/zinc/34/74/92/655347492.db2.gz YSOYXISJHIZCGI-OAHLLOKOSA-N 1 0 386.221 2.712 20 5 GFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000289437416 655349178 /nfs/dbraw/zinc/34/91/78/655349178.db2.gz FOZQNSGQLSAPKF-CABZTGNLSA-N 1 0 376.194 2.857 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246158296 655429299 /nfs/dbraw/zinc/42/92/99/655429299.db2.gz AAJJBLZEGCXFJA-RYUDHWBXSA-N 1 0 375.878 2.660 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000575867932 655438938 /nfs/dbraw/zinc/43/89/38/655438938.db2.gz IFFVWNZITPPHLG-AOOOYVTPSA-N 1 0 394.280 2.522 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000596227630 655514998 /nfs/dbraw/zinc/51/49/98/655514998.db2.gz QUXGVGCAYGNWGI-ZDUSSCGKSA-N 1 0 384.274 2.906 20 5 GFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985378 655877860 /nfs/dbraw/zinc/87/78/60/655877860.db2.gz FDSNEGROSZGULS-WDEREUQCSA-N 1 0 386.221 2.853 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841161895 661240473 /nfs/dbraw/zinc/24/04/73/661240473.db2.gz PLBFCFVOTPLHES-HNNXBMFYSA-N 1 0 383.246 2.965 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768836812 656254629 /nfs/dbraw/zinc/25/46/29/656254629.db2.gz YVRHKMZBQLHLQN-ZIAGYGMSSA-N 1 0 387.527 2.931 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000769381220 656272887 /nfs/dbraw/zinc/27/28/87/656272887.db2.gz MIVLLRRDWCQXRI-AWEZNQCLSA-N 1 0 397.317 2.569 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000841504259 661277251 /nfs/dbraw/zinc/27/72/51/661277251.db2.gz GSJOOQNRQAMKBN-LBPRGKRZSA-N 1 0 381.841 2.635 20 5 GFBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155991 659168850 /nfs/dbraw/zinc/16/88/50/659168850.db2.gz JZQIJWSPGLVDLX-OXHZDVMGSA-N 1 0 387.278 2.773 20 5 GFBDRO Cc1ccc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804635382 659663387 /nfs/dbraw/zinc/66/33/87/659663387.db2.gz XEVXOBYSZMREGK-GFCCVEGCSA-N 1 0 386.290 2.947 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809820034 659942629 /nfs/dbraw/zinc/94/26/29/659942629.db2.gz LESHDNDHRMZOCH-MNOVXSKESA-N 1 0 393.868 2.881 20 5 GFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809860558 659950411 /nfs/dbraw/zinc/95/04/11/659950411.db2.gz RFJRIGWQJQFLLT-SNVBAGLBSA-N 1 0 381.857 2.786 20 5 GFBDRO CCC([NH3+])(CC)CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841950825 661318154 /nfs/dbraw/zinc/31/81/54/661318154.db2.gz CWIXRGGEAJRTMV-UHFFFAOYSA-N 1 0 399.289 2.943 20 5 GFBDRO C[C@@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[NH2+]1 ZINC000841985103 661318997 /nfs/dbraw/zinc/31/89/97/661318997.db2.gz JQOOGHKLSGWANP-GHMZBOCLSA-N 1 0 397.273 2.566 20 5 GFBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842736684 661351726 /nfs/dbraw/zinc/35/17/26/661351726.db2.gz COQSBFHTBCEZOG-UHFFFAOYSA-N 1 0 381.376 2.504 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000842781981 661353958 /nfs/dbraw/zinc/35/39/58/661353958.db2.gz RHENQUGAYZHYDG-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000846034732 661526028 /nfs/dbraw/zinc/52/60/28/661526028.db2.gz FRERTTFWSOZPJV-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000846688738 661561962 /nfs/dbraw/zinc/56/19/62/661561962.db2.gz KFDZHYOBTJEAOZ-VFZGTOFNSA-N 1 0 386.221 2.697 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848508318 661658356 /nfs/dbraw/zinc/65/83/56/661658356.db2.gz KWELFCUJPVAIHJ-QWHCGFSZSA-N 1 0 387.889 2.852 20 5 GFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000852761244 661873669 /nfs/dbraw/zinc/87/36/69/661873669.db2.gz SMRBKIKLWQVTHH-CQSZACIVSA-N 1 0 386.290 2.900 20 5 GFBDRO Cc1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1Br ZINC000853966752 661909196 /nfs/dbraw/zinc/90/91/96/661909196.db2.gz YKXRQZTUSGGBTR-ZDUSSCGKSA-N 1 0 384.274 2.701 20 5 GFBDRO C[NH2+]C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000863922106 662349769 /nfs/dbraw/zinc/34/97/69/662349769.db2.gz MIILXMRUPHGGIK-UHFFFAOYSA-N 1 0 376.638 2.883 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865048663 662396186 /nfs/dbraw/zinc/39/61/86/662396186.db2.gz ZTRAJROEVZLGOP-ZDUSSCGKSA-N 1 0 384.274 2.748 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866363593 662469091 /nfs/dbraw/zinc/46/90/91/662469091.db2.gz MRVLLSXHRFRESO-STQMWFEESA-N 1 0 384.274 2.889 20 5 GFBDRO C[NH+]1CCC(C)(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867287867 662539148 /nfs/dbraw/zinc/53/91/48/662539148.db2.gz ZBHRNNIYFBZPRQ-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2sccc2Br)cc1 ZINC000873192285 662803733 /nfs/dbraw/zinc/80/37/33/662803733.db2.gz CNISMMCIGMHUNX-TZMCWYRMSA-N 1 0 387.255 2.603 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000883148894 663050383 /nfs/dbraw/zinc/05/03/83/663050383.db2.gz NNEZTDRPOHFJNP-UONOGXRCSA-N 1 0 397.273 2.783 20 5 GFBDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295154 663052483 /nfs/dbraw/zinc/05/24/83/663052483.db2.gz YECNXIXIQHPEKA-JSGCOSHPSA-N 1 0 391.287 2.803 20 5 GFBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000883456804 663055408 /nfs/dbraw/zinc/05/54/08/663055408.db2.gz JPKJFOLSMUBOHG-ZWNOBZJWSA-N 1 0 385.262 2.639 20 5 GFBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894022101 663437946 /nfs/dbraw/zinc/43/79/46/663437946.db2.gz MCVCLOKOWXAHGP-UHFFFAOYSA-N 1 0 389.905 2.931 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](CO)Cc2ccoc2)cc1Br ZINC000895586399 663519939 /nfs/dbraw/zinc/51/99/39/663519939.db2.gz VONSQOGUWYDIGL-SNVBAGLBSA-N 1 0 375.244 2.953 20 5 GFBDRO COc1cc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc([N+](=O)[O-])c1 ZINC000903177386 663777248 /nfs/dbraw/zinc/77/72/48/663777248.db2.gz METYIMNZEOUITI-LLVKDONJSA-N 1 0 396.241 2.878 20 5 GFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928085661 664722239 /nfs/dbraw/zinc/72/22/39/664722239.db2.gz JLYBXCSTGLEUBD-UKRRQHHQSA-N 1 0 387.864 2.626 20 5 GFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935975013 665002060 /nfs/dbraw/zinc/00/20/60/665002060.db2.gz DWJAYRPLLQBDFZ-MFKMUULPSA-N 1 0 397.273 2.638 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)CC1 ZINC001164614698 719023391 /nfs/dbraw/zinc/02/33/91/719023391.db2.gz WZFROKIESJGODH-UHFFFAOYSA-N 1 0 376.457 2.542 20 5 GFBDRO Nc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696934 719894570 /nfs/dbraw/zinc/89/45/70/719894570.db2.gz IKZLEILAJBLSPC-UHFFFAOYSA-N 1 0 389.481 2.505 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808491 720084750 /nfs/dbraw/zinc/08/47/50/720084750.db2.gz HRMDUKUEFNNPDM-KSSFIOAISA-N 1 0 380.876 2.828 20 5 GFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@H]2C1 ZINC001164853319 720843795 /nfs/dbraw/zinc/84/37/95/720843795.db2.gz OFSCHPKCOYENBW-VQTJNVASSA-N 1 0 392.503 2.957 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164866852 721048204 /nfs/dbraw/zinc/04/82/04/721048204.db2.gz GHUXRKARBGJXFA-HZPDHXFCSA-N 1 0 389.843 2.518 20 5 GFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165010643 721736340 /nfs/dbraw/zinc/73/63/40/721736340.db2.gz IIMJPFRMTMEZJV-UHFFFAOYSA-N 1 0 397.479 2.666 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001165021510 721822589 /nfs/dbraw/zinc/82/25/89/721822589.db2.gz FXDJYPBDFGTQCY-DKSSEZFCSA-N 1 0 382.468 2.704 20 5 GFBDRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164961916 722052214 /nfs/dbraw/zinc/05/22/14/722052214.db2.gz YPDQBUSNYAAEKT-UHFFFAOYSA-N 1 0 397.479 2.812 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000007728855 551101489 /nfs/dbraw/zinc/10/14/89/551101489.db2.gz FMOAWPPENOAYKZ-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000153617982 551457103 /nfs/dbraw/zinc/45/71/03/551457103.db2.gz RJPZRURCUCFBBG-UHFFFAOYSA-N 1 0 382.770 2.734 20 5 GFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000155695086 551505905 /nfs/dbraw/zinc/50/59/05/551505905.db2.gz RUZUUCKNDOGBJD-ABAIWWIYSA-N 1 0 384.274 2.745 20 5 GFBDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000181505674 552258661 /nfs/dbraw/zinc/25/86/61/552258661.db2.gz FHTUAABVXOBIGK-GFCCVEGCSA-N 1 0 383.495 2.902 20 5 GFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000181532126 552259949 /nfs/dbraw/zinc/25/99/49/552259949.db2.gz XKCSGKPIGKFQRP-CYBMUJFWSA-N 1 0 383.495 2.546 20 5 GFBDRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181641865 552263667 /nfs/dbraw/zinc/26/36/67/552263667.db2.gz AOWVDWZOLUVPHR-HUUCEWRRSA-N 1 0 384.479 2.532 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000183598483 552313868 /nfs/dbraw/zinc/31/38/68/552313868.db2.gz USZCUHKHPZOAQP-UHFFFAOYSA-N 1 0 389.886 2.686 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000183712918 552317714 /nfs/dbraw/zinc/31/77/14/552317714.db2.gz SIBCZVMEQJVUBS-CYBMUJFWSA-N 1 0 387.889 2.663 20 5 GFBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000193972083 553008244 /nfs/dbraw/zinc/00/82/44/553008244.db2.gz NZMLULNYIWYEFV-UHFFFAOYSA-N 1 0 375.878 2.789 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000279529097 563299506 /nfs/dbraw/zinc/29/95/06/563299506.db2.gz UIHJMBQNAUCVBA-SNVBAGLBSA-N 1 0 396.296 2.864 20 5 GFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000372770334 563316741 /nfs/dbraw/zinc/31/67/41/563316741.db2.gz RWFNBEXXGPYUFC-YHWZYXNKSA-N 1 0 382.258 2.771 20 5 GFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000280832169 563356633 /nfs/dbraw/zinc/35/66/33/563356633.db2.gz WCGZDYBNQURBSP-LBPRGKRZSA-N 1 0 378.738 2.787 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375029001 563388260 /nfs/dbraw/zinc/38/82/60/563388260.db2.gz AFKAJENXJSBGSC-IAQYHMDHSA-N 1 0 382.258 2.832 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000375032863 563388553 /nfs/dbraw/zinc/38/85/53/563388553.db2.gz YIRIWBSNRVJJNV-GFCCVEGCSA-N 1 0 382.258 2.976 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425061524 563402555 /nfs/dbraw/zinc/40/25/55/563402555.db2.gz ZGGDHCNWTIVCLB-XHDPSFHLSA-N 1 0 382.258 2.832 20 5 GFBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301909115 563415311 /nfs/dbraw/zinc/41/53/11/563415311.db2.gz FJRBZTVTVGLCCS-ZDUSSCGKSA-N 1 0 399.289 2.834 20 5 GFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425427237 563421964 /nfs/dbraw/zinc/42/19/64/563421964.db2.gz YBNUQLOICHSIJN-UHFFFAOYSA-N 1 0 399.333 2.815 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000377883009 563490267 /nfs/dbraw/zinc/49/02/67/563490267.db2.gz HUDAGBLBZRQGPS-ZANVPECISA-N 1 0 394.280 2.616 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000378004253 563493425 /nfs/dbraw/zinc/49/34/25/563493425.db2.gz LYGBTYFRUGYFPL-ZDUSSCGKSA-N 1 0 387.889 2.567 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330923773 563527459 /nfs/dbraw/zinc/52/74/59/563527459.db2.gz SQESCCBONZIEOF-GFCCVEGCSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397212438 563531874 /nfs/dbraw/zinc/53/18/74/563531874.db2.gz BUYHQELPXFORIR-NHCYSSNCSA-N 1 0 375.878 2.551 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331887680 563565659 /nfs/dbraw/zinc/56/56/59/563565659.db2.gz JOWUFMSQNVZBLZ-WFASDCNBSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000332085199 563575641 /nfs/dbraw/zinc/57/56/41/563575641.db2.gz QGJDTQJDAXGMKX-YPMHNXCESA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289642379 563682111 /nfs/dbraw/zinc/68/21/11/563682111.db2.gz WSJOPYWSROQOIF-TVQRCGJNSA-N 1 0 376.194 2.714 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2nccs2)c1 ZINC000289687793 563683542 /nfs/dbraw/zinc/68/35/42/563683542.db2.gz BCQNPTPJZAJDGG-UHFFFAOYSA-N 1 0 389.218 2.988 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363157929 563715788 /nfs/dbraw/zinc/71/57/88/563715788.db2.gz PTYPBGCGORQWHI-APHBMKBZSA-N 1 0 394.269 2.914 20 5 GFBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000414109656 563719331 /nfs/dbraw/zinc/71/93/31/563719331.db2.gz VBVUYSKYYLWXLQ-LBPRGKRZSA-N 1 0 380.242 2.740 20 5 GFBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292064793 563771890 /nfs/dbraw/zinc/77/18/90/563771890.db2.gz GMNWQJQYIDGQBM-UHFFFAOYSA-N 1 0 390.267 2.867 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000537946093 564178587 /nfs/dbraw/zinc/17/85/87/564178587.db2.gz MMIMZECHTXOGLM-CYBMUJFWSA-N 1 0 383.495 2.902 20 5 GFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc(Br)ccc1=O ZINC000449376243 564182904 /nfs/dbraw/zinc/18/29/04/564182904.db2.gz KUYWIFFAXCBUMW-GFCCVEGCSA-N 1 0 380.242 2.740 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000539092764 564209454 /nfs/dbraw/zinc/20/94/54/564209454.db2.gz ADAVKTDQRXJKDY-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474785170 564289548 /nfs/dbraw/zinc/28/95/48/564289548.db2.gz WZQBZDZWUSKHEC-CYBMUJFWSA-N 1 0 387.278 2.689 20 5 GFBDRO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000510472410 564334993 /nfs/dbraw/zinc/33/49/93/564334993.db2.gz FXBRKLRHRHALMW-ZDUSSCGKSA-N 1 0 382.258 2.974 20 5 GFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000510742410 564345490 /nfs/dbraw/zinc/34/54/90/564345490.db2.gz BHTBCBXCHFOTDA-LLVKDONJSA-N 1 0 382.258 2.666 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000568817197 564436409 /nfs/dbraw/zinc/43/64/09/564436409.db2.gz DHVDFFCFCHZAKA-GFCCVEGCSA-N 1 0 398.204 2.570 20 5 GFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000570045786 564489321 /nfs/dbraw/zinc/48/93/21/564489321.db2.gz FNODOEVWWQYRIY-BDAKNGLRSA-N 1 0 386.239 2.943 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(CO)CCCC2)c1 ZINC000570129930 564492610 /nfs/dbraw/zinc/49/26/10/564492610.db2.gz GOUFLDLTHJAZET-UHFFFAOYSA-N 1 0 376.194 2.594 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000482098749 564534359 /nfs/dbraw/zinc/53/43/59/564534359.db2.gz FBBDZGIAUREYQD-UHFFFAOYSA-N 1 0 375.878 2.711 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1sccc1Br ZINC000519765367 564590565 /nfs/dbraw/zinc/59/05/65/564590565.db2.gz KQGHUOSHMKHNIR-JTQLQIEISA-N 1 0 387.255 2.948 20 5 GFBDRO C[C@@H]1CN(C[C@@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000549746060 564604024 /nfs/dbraw/zinc/60/40/24/564604024.db2.gz SGHFPRPPHMWMNQ-JFGNBEQYSA-N 1 0 379.240 2.751 20 5 GFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000485104329 564606510 /nfs/dbraw/zinc/60/65/10/564606510.db2.gz NAXRSFFXCZGDDQ-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485171953 564609303 /nfs/dbraw/zinc/60/93/03/564609303.db2.gz RHMWWTLPIVBHIP-CYBMUJFWSA-N 1 0 387.278 2.689 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2sccc2Br)c1 ZINC000521612228 564631283 /nfs/dbraw/zinc/63/12/83/564631283.db2.gz LLMSGJHKVAAXBS-NSHDSACASA-N 1 0 387.255 2.948 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000580582547 564766096 /nfs/dbraw/zinc/76/60/96/564766096.db2.gz QJJBNTSZCTURMY-QWHCGFSZSA-N 1 0 382.258 2.974 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000554934793 564778369 /nfs/dbraw/zinc/77/83/69/564778369.db2.gz GYRWVTIQZDJHEI-CYBMUJFWSA-N 1 0 376.194 2.810 20 5 GFBDRO Cc1cc(Cl)cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000555551858 564797991 /nfs/dbraw/zinc/79/79/91/564797991.db2.gz AEFJPFXNWHGFSJ-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000583232996 564881318 /nfs/dbraw/zinc/88/13/18/564881318.db2.gz NOVXFQSZFHBFBJ-LLVKDONJSA-N 1 0 398.204 2.570 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531269362 564905786 /nfs/dbraw/zinc/90/57/86/564905786.db2.gz MBZWPJPUOYLOPZ-GFCCVEGCSA-N 1 0 384.274 2.746 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000584052989 564918780 /nfs/dbraw/zinc/91/87/80/564918780.db2.gz POGDFKOIIZXSCP-STQMWFEESA-N 1 0 387.889 2.567 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000584081697 564920062 /nfs/dbraw/zinc/92/00/62/564920062.db2.gz HWMBXEXEZBOVBF-KBPBESRZSA-N 1 0 388.205 2.857 20 5 GFBDRO Cc1sc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467421099 564963687 /nfs/dbraw/zinc/96/36/87/564963687.db2.gz XIDNJTYDBPVQLK-LLVKDONJSA-N 1 0 375.516 2.754 20 5 GFBDRO CS[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000537925161 565064572 /nfs/dbraw/zinc/06/45/72/565064572.db2.gz MKCHNQRMBZPVMO-DZGCQCFKSA-N 1 0 387.889 2.521 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cscc2Cl)c([N+](=O)[O-])c1 ZINC000589192580 565154531 /nfs/dbraw/zinc/15/45/31/565154531.db2.gz MRIDIDSFJOMXKJ-UHFFFAOYSA-N 1 0 389.886 2.679 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000591440681 565231593 /nfs/dbraw/zinc/23/15/93/565231593.db2.gz JWVZSPSEMHUSRM-UHFFFAOYSA-N 1 0 387.221 2.779 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592356840 565271063 /nfs/dbraw/zinc/27/10/63/565271063.db2.gz GNBDGXZTDXBDIR-SNVBAGLBSA-N 1 0 386.149 2.674 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595346741 565466055 /nfs/dbraw/zinc/46/60/55/565466055.db2.gz VSDFNFJXBYCKFS-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO C[C@@H]1C[C@H](CO)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599674800 565696483 /nfs/dbraw/zinc/69/64/83/565696483.db2.gz IYWDWHZYNFVUDA-GHMZBOCLSA-N 1 0 390.221 2.792 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000602496619 565852059 /nfs/dbraw/zinc/85/20/59/565852059.db2.gz OKCMOXIJHOPTGM-RYUDHWBXSA-N 1 0 382.258 2.819 20 5 GFBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602695612 565864104 /nfs/dbraw/zinc/86/41/04/565864104.db2.gz BEMCXXJHKKHGKM-KYZUINATSA-N 1 0 376.276 2.800 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818429623 660225727 /nfs/dbraw/zinc/22/57/27/660225727.db2.gz YMAYUKSHQAOEBS-LBPRGKRZSA-N 1 0 387.889 2.709 20 5 GFBDRO COCC(C)(C)[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000822497467 660346803 /nfs/dbraw/zinc/34/68/03/660346803.db2.gz FCRVCDOOOQDMMC-UHFFFAOYSA-N 1 0 386.290 2.900 20 5 GFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824773194 660401386 /nfs/dbraw/zinc/40/13/86/660401386.db2.gz JZWBGBWTVZMTGJ-CQSZACIVSA-N 1 0 377.224 2.820 20 5 GFBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)C1CCCCC1 ZINC000825467046 660429158 /nfs/dbraw/zinc/42/91/58/660429158.db2.gz LUERYRAUMVINNL-UHFFFAOYSA-N 1 0 385.262 2.747 20 5 GFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825765222 660441211 /nfs/dbraw/zinc/44/12/11/660441211.db2.gz VFDMDNCNTZAJDM-QWRGUYRKSA-N 1 0 385.262 2.745 20 5 GFBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C2)CC1 ZINC000827353675 660491004 /nfs/dbraw/zinc/49/10/04/660491004.db2.gz HDILPEGHTLKCSS-GFCCVEGCSA-N 1 0 397.273 2.556 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000836023378 660888344 /nfs/dbraw/zinc/88/83/44/660888344.db2.gz XTUPQQQLWHDSAX-UHFFFAOYSA-N 1 0 389.206 2.780 20 5 GFBDRO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052752897 654738956 /nfs/dbraw/zinc/73/89/56/654738956.db2.gz IDEASBDMUYWGRP-NSHDSACASA-N 1 0 398.257 2.797 20 5 GFBDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123996196 654768273 /nfs/dbraw/zinc/76/82/73/654768273.db2.gz IEASLQQVPULJJK-NWDGAFQWSA-N 1 0 399.289 2.710 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000125819355 654802849 /nfs/dbraw/zinc/80/28/49/654802849.db2.gz KUBNIJXCBSMYGR-UHFFFAOYSA-N 1 0 375.516 2.707 20 5 GFBDRO C[NH+]1CCC(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000131719869 654915097 /nfs/dbraw/zinc/91/50/97/654915097.db2.gz LOYGIIQKJKPJEW-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102425735 655055343 /nfs/dbraw/zinc/05/53/43/655055343.db2.gz FXILBQHEVRPDAZ-UHFFFAOYSA-N 1 0 383.495 2.742 20 5 GFBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1=CC[N@H+](C)CC1 ZINC000273045365 655128576 /nfs/dbraw/zinc/12/85/76/655128576.db2.gz WSGUEPUUQNLAEU-VIFPVBQESA-N 1 0 386.221 2.877 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273148610 655132400 /nfs/dbraw/zinc/13/24/00/655132400.db2.gz WJOFMIABSDOBIJ-JKSUJKDBSA-N 1 0 381.226 2.714 20 5 GFBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000171066911 655148336 /nfs/dbraw/zinc/14/83/36/655148336.db2.gz ZAVDARRVBMVAIA-UHFFFAOYSA-N 1 0 375.878 2.789 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000273566652 655148485 /nfs/dbraw/zinc/14/84/85/655148485.db2.gz YLXIRDCTERWGEZ-HOTGVXAUSA-N 1 0 381.523 2.969 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000173276126 655166903 /nfs/dbraw/zinc/16/69/03/655166903.db2.gz NDQINJMZJKLJSC-PWSUYJOCSA-N 1 0 375.878 2.660 20 5 GFBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173993948 655188858 /nfs/dbraw/zinc/18/88/58/655188858.db2.gz MXNVVMGPDXVCIB-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000289292981 655345737 /nfs/dbraw/zinc/34/57/37/655345737.db2.gz HBOSIPYMIJQARB-SECBINFHSA-N 1 0 394.280 2.664 20 5 GFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000578006563 655470928 /nfs/dbraw/zinc/47/09/28/655470928.db2.gz KBCWFDWYFXWMEJ-INIZCTEOSA-N 1 0 395.253 2.929 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000725822605 655527017 /nfs/dbraw/zinc/52/70/17/655527017.db2.gz HUIHPOXTXLIVTJ-NWDGAFQWSA-N 1 0 375.878 2.789 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000725822970 655527054 /nfs/dbraw/zinc/52/70/54/655527054.db2.gz PEBJIOMRKSZKIW-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000754637708 655870668 /nfs/dbraw/zinc/87/06/68/655870668.db2.gz XJPMYUWUGTUAOT-NSHDSACASA-N 1 0 386.221 2.807 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841161458 661240394 /nfs/dbraw/zinc/24/03/94/661240394.db2.gz KXQDLRKVOPHKOD-OAHLLOKOSA-N 1 0 383.246 2.965 20 5 GFBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000773107839 656399964 /nfs/dbraw/zinc/39/99/64/656399964.db2.gz XRMHSZLOUAWWTD-UHFFFAOYSA-N 1 0 375.516 2.979 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000779893713 656957570 /nfs/dbraw/zinc/95/75/70/656957570.db2.gz WAVSNVXBLKHMKE-ZDUSSCGKSA-N 1 0 387.889 2.806 20 5 GFBDRO C[NH+]1CCC(C)(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000779914603 656963564 /nfs/dbraw/zinc/96/35/64/656963564.db2.gz VYKCJTAUFBACPL-UHFFFAOYSA-N 1 0 377.413 2.735 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000782082413 657101954 /nfs/dbraw/zinc/10/19/54/657101954.db2.gz DJFULGDGYNUSTP-HOTGVXAUSA-N 1 0 381.226 2.714 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795337634 658808103 /nfs/dbraw/zinc/80/81/03/658808103.db2.gz XCNVTIQOJSGGHN-HZPDHXFCSA-N 1 0 399.216 2.853 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C[NH+]1CCCC1 ZINC000795948627 658876444 /nfs/dbraw/zinc/87/64/44/658876444.db2.gz NIYHBIHUELHXQG-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798163995 659077409 /nfs/dbraw/zinc/07/74/09/659077409.db2.gz CFNDAIKRAXSHHJ-GRYCIOLGSA-N 1 0 399.289 2.849 20 5 GFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000805111575 659742066 /nfs/dbraw/zinc/74/20/66/659742066.db2.gz YWTXFNRGVWHWAS-ZWNOBZJWSA-N 1 0 391.852 2.635 20 5 GFBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813479554 660055389 /nfs/dbraw/zinc/05/53/89/660055389.db2.gz ABGXHZCUJBOAPQ-LBPRGKRZSA-N 1 0 388.251 2.885 20 5 GFBDRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813752667 660063053 /nfs/dbraw/zinc/06/30/53/660063053.db2.gz WSUKIKIUJHZCQV-GFCCVEGCSA-N 1 0 387.889 2.743 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020758 660102580 /nfs/dbraw/zinc/10/25/80/660102580.db2.gz GWEFOFMLKDSIPV-LLVKDONJSA-N 1 0 393.868 2.882 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000842481085 661341431 /nfs/dbraw/zinc/34/14/31/661341431.db2.gz FWIACCFQPNUYCU-STQMWFEESA-N 1 0 387.889 2.852 20 5 GFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843356414 661378636 /nfs/dbraw/zinc/37/86/36/661378636.db2.gz NWLHEDAQGLNJIL-LLVKDONJSA-N 1 0 376.226 2.942 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]21 ZINC000843454079 661381882 /nfs/dbraw/zinc/38/18/82/661381882.db2.gz JMANMKQENNRDEH-GGZOMVNGSA-N 1 0 386.221 2.696 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849411872 661718408 /nfs/dbraw/zinc/71/84/08/661718408.db2.gz WQSTXTIEVKRTSH-SNVBAGLBSA-N 1 0 393.868 2.786 20 5 GFBDRO CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852653030 661869495 /nfs/dbraw/zinc/86/94/95/661869495.db2.gz JMWZOKZJTIQZCS-GFCCVEGCSA-N 1 0 385.262 2.545 20 5 GFBDRO Cc1ccc(N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1Br ZINC000858631872 662117353 /nfs/dbraw/zinc/11/73/53/662117353.db2.gz JENOORGSACBMEI-UHFFFAOYSA-N 1 0 384.274 2.967 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000866709934 662491144 /nfs/dbraw/zinc/49/11/44/662491144.db2.gz NMFVMGWDIVRYMS-UKRRQHHQSA-N 1 0 396.285 2.843 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000867806673 662577962 /nfs/dbraw/zinc/57/79/62/662577962.db2.gz HJLURSCTWVCTKR-ONGXEEELSA-N 1 0 394.280 2.616 20 5 GFBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872022688 662754136 /nfs/dbraw/zinc/75/41/36/662754136.db2.gz YJPGSSKUYOUQIO-LBPRGKRZSA-N 1 0 387.527 2.781 20 5 GFBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991683 663536283 /nfs/dbraw/zinc/53/62/83/663536283.db2.gz YRLOKBBKJHYVRE-IUCAKERBSA-N 1 0 392.214 2.634 20 5 GFBDRO COCCC[N@H+](C)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896669109 663570668 /nfs/dbraw/zinc/57/06/68/663570668.db2.gz AHEIDTOXZGFWKC-UHFFFAOYSA-N 1 0 382.219 2.739 20 5 GFBDRO CC[NH+]1CCC(NC(=O)COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000902367728 663760345 /nfs/dbraw/zinc/76/03/45/663760345.db2.gz FMXMVVMRGBXMSB-UHFFFAOYSA-N 1 0 376.240 2.881 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(F)(F)F ZINC000923428285 664630345 /nfs/dbraw/zinc/63/03/45/664630345.db2.gz XGMOCXGXJGFYQM-GXSJLCMTSA-N 1 0 382.180 2.926 20 5 GFBDRO C[NH+]1CCC(OCC(=O)OCc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000923788271 664637952 /nfs/dbraw/zinc/63/79/52/664637952.db2.gz KYNNOWQXYKHARJ-UHFFFAOYSA-N 1 0 387.230 2.511 20 5 GFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932810846 664839547 /nfs/dbraw/zinc/83/95/47/664839547.db2.gz WWPAOECGXIZKAY-INIZCTEOSA-N 1 0 395.257 2.537 20 5 GFBDRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2 ZINC001164417223 718888984 /nfs/dbraw/zinc/88/89/84/718888984.db2.gz IJHKQJKEIOOZQF-BONVTDFDSA-N 1 0 381.770 2.788 20 5 GFBDRO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840575 720520436 /nfs/dbraw/zinc/52/04/36/720520436.db2.gz WJQFHHVQEYLUIG-KZNAEPCWSA-N 1 0 384.484 2.873 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768963 721120359 /nfs/dbraw/zinc/12/03/59/721120359.db2.gz OMJVTLHBDXJWJC-ZWKOTPCHSA-N 1 0 392.463 2.835 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001165021516 721822727 /nfs/dbraw/zinc/82/27/27/721822727.db2.gz FXDJYPBDFGTQCY-POZUXBRTSA-N 1 0 382.468 2.704 20 5 GFBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935153 721888292 /nfs/dbraw/zinc/88/82/92/721888292.db2.gz WRMPSFQGLZTFDX-ROUUACIJSA-N 1 0 381.480 2.871 20 5 GFBDRO Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508425 721919961 /nfs/dbraw/zinc/91/99/61/721919961.db2.gz JLSHQZLLOVHFNY-SFHVURJKSA-N 1 0 383.452 2.661 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000121397862 551233757 /nfs/dbraw/zinc/23/37/57/551233757.db2.gz SMTMJKZUICSMCQ-ZDUSSCGKSA-N 1 0 382.258 2.976 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000131269477 551373248 /nfs/dbraw/zinc/37/32/48/551373248.db2.gz CTJSFABXMGITEP-NEPJUHHUSA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000174740489 552109237 /nfs/dbraw/zinc/10/92/37/552109237.db2.gz CNRSAWALEUYQRV-JKSUJKDBSA-N 1 0 395.257 2.752 20 5 GFBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176794407 552145582 /nfs/dbraw/zinc/14/55/82/552145582.db2.gz FHIKMHKFONSCNI-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000176974896 552148209 /nfs/dbraw/zinc/14/82/09/552148209.db2.gz GRTIKPZUPHPFTJ-UHFFFAOYSA-N 1 0 382.829 2.597 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000183726369 552317888 /nfs/dbraw/zinc/31/78/88/552317888.db2.gz GBJDXJPNYGYGFH-RYUDHWBXSA-N 1 0 375.878 2.517 20 5 GFBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000237478368 553078460 /nfs/dbraw/zinc/07/84/60/553078460.db2.gz FLTGIIMEJYVBOW-DTWKUNHWSA-N 1 0 382.269 2.650 20 5 GFBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237555334 553078939 /nfs/dbraw/zinc/07/89/39/553078939.db2.gz OLFSIMSSFITIQL-PRHODGIISA-N 1 0 382.269 2.650 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000248733456 553133645 /nfs/dbraw/zinc/13/36/45/553133645.db2.gz BINKVOJYPRBBPE-AAEUAGOBSA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291602 563240473 /nfs/dbraw/zinc/24/04/73/563240473.db2.gz UEDILRKSBQVPGO-KOLCDFICSA-N 1 0 396.296 2.862 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373550642 563341789 /nfs/dbraw/zinc/34/17/89/563341789.db2.gz HVZOXKVQCQQHJC-ABAIWWIYSA-N 1 0 382.258 2.962 20 5 GFBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000281299013 563372746 /nfs/dbraw/zinc/37/27/46/563372746.db2.gz YWHYWOAESQAELB-UHFFFAOYSA-N 1 0 393.868 2.740 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375029003 563388012 /nfs/dbraw/zinc/38/80/12/563388012.db2.gz AFKAJENXJSBGSC-XHDPSFHLSA-N 1 0 382.258 2.832 20 5 GFBDRO CC[N@@H+]1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000301495185 563405053 /nfs/dbraw/zinc/40/50/53/563405053.db2.gz AMSVMKPHSJZGNL-UHFFFAOYSA-N 1 0 375.210 2.731 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591367 563407955 /nfs/dbraw/zinc/40/79/55/563407955.db2.gz QUKOYYRSGWOFFE-QWRGUYRKSA-N 1 0 377.413 2.876 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(Br)c1 ZINC000301803200 563412743 /nfs/dbraw/zinc/41/27/43/563412743.db2.gz CYSWHOJTRLQHRA-CQSZACIVSA-N 1 0 399.289 2.834 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000425466090 563423927 /nfs/dbraw/zinc/42/39/27/563423927.db2.gz AXECEFZFEMJHCK-HZPDHXFCSA-N 1 0 385.258 2.767 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000326318282 563455160 /nfs/dbraw/zinc/45/51/60/563455160.db2.gz LVIQIRGVZYKSRV-UHFFFAOYSA-N 1 0 397.273 2.700 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331887665 563565700 /nfs/dbraw/zinc/56/57/00/563565700.db2.gz JOWUFMSQNVZBLZ-IUODEOHRSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363157931 563715962 /nfs/dbraw/zinc/71/59/62/563715962.db2.gz PTYPBGCGORQWHI-RCBQFDQVSA-N 1 0 394.269 2.914 20 5 GFBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290685218 563717815 /nfs/dbraw/zinc/71/78/15/563717815.db2.gz HKJBZCMCUKGBGA-UHFFFAOYSA-N 1 0 396.296 2.864 20 5 GFBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291843244 563760754 /nfs/dbraw/zinc/76/07/54/563760754.db2.gz FMQIHCHNUNEFGP-UHFFFAOYSA-N 1 0 389.283 2.657 20 5 GFBDRO CC1(C(N)=O)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000566678638 564338455 /nfs/dbraw/zinc/33/84/55/564338455.db2.gz HEWOXYMOUNQJQM-UHFFFAOYSA-N 1 0 394.225 2.925 20 5 GFBDRO CS[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000543311632 564345677 /nfs/dbraw/zinc/34/56/77/564345677.db2.gz PAVLGBOBHHZVPP-TZMCWYRMSA-N 1 0 389.930 2.844 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOCC2CC2)c1 ZINC000516217885 564497059 /nfs/dbraw/zinc/49/70/59/564497059.db2.gz VJSPIEBSAZZQJI-UHFFFAOYSA-N 1 0 376.194 2.716 20 5 GFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000517953868 564543911 /nfs/dbraw/zinc/54/39/11/564543911.db2.gz PBCMFKJFFKYFGK-UHFFFAOYSA-N 1 0 382.258 2.630 20 5 GFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457036787 564644272 /nfs/dbraw/zinc/64/42/72/564644272.db2.gz ASOBDBDICODSPN-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000487103179 564676030 /nfs/dbraw/zinc/67/60/30/564676030.db2.gz MFNFNAXAHYHGOJ-VXGBXAGGSA-N 1 0 375.878 2.708 20 5 GFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000552402273 564690062 /nfs/dbraw/zinc/69/00/62/564690062.db2.gz RGPULCNVQQCQEB-CYBMUJFWSA-N 1 0 389.237 2.725 20 5 GFBDRO CO[C@H]1CC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890449 564752959 /nfs/dbraw/zinc/75/29/59/564752959.db2.gz UXRCFTZGZJNVCV-AAEUAGOBSA-N 1 0 376.194 2.857 20 5 GFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000490860693 564783112 /nfs/dbraw/zinc/78/31/12/564783112.db2.gz SVPDPSPLVRSIQT-STQMWFEESA-N 1 0 377.388 2.731 20 5 GFBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000556246808 564816356 /nfs/dbraw/zinc/81/63/56/564816356.db2.gz RRZGBXQWQGPZGZ-GFCCVEGCSA-N 1 0 380.242 2.740 20 5 GFBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462291824 564831845 /nfs/dbraw/zinc/83/18/45/564831845.db2.gz BZUNIFOWOKZDDB-UHFFFAOYSA-N 1 0 382.269 2.618 20 5 GFBDRO C[C@@H](CCc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000462783273 564857918 /nfs/dbraw/zinc/85/79/18/564857918.db2.gz LKWXCHMUKXFGPN-ZDUSSCGKSA-N 1 0 383.495 2.546 20 5 GFBDRO C[C@H](CCc1ccsc1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000462788546 564858625 /nfs/dbraw/zinc/85/86/25/564858625.db2.gz OVJLTILYJYXVIS-CYBMUJFWSA-N 1 0 383.495 2.546 20 5 GFBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498349999 564896664 /nfs/dbraw/zinc/89/66/64/564896664.db2.gz NYFAMFJQWVJEJB-VIFPVBQESA-N 1 0 382.214 2.971 20 5 GFBDRO CO[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000558485517 564903176 /nfs/dbraw/zinc/90/31/76/564903176.db2.gz CSAYAFFFDQNIOI-ZDUSSCGKSA-N 1 0 378.210 2.960 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000467391422 564961866 /nfs/dbraw/zinc/96/18/66/564961866.db2.gz BLNPDQRMCAAUAF-UHFFFAOYSA-N 1 0 387.527 2.851 20 5 GFBDRO CCCC[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498521 565083722 /nfs/dbraw/zinc/08/37/22/565083722.db2.gz UJBLCWKLCLOKIU-UHFFFAOYSA-N 1 0 378.210 2.794 20 5 GFBDRO CC[C@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589261289 565158678 /nfs/dbraw/zinc/15/86/78/565158678.db2.gz HLDRSWFNNDGMAP-ZDUSSCGKSA-N 1 0 376.194 2.858 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591894669 565243947 /nfs/dbraw/zinc/24/39/47/565243947.db2.gz WMXBMEVCXKGQSU-RISCZKNCSA-N 1 0 382.258 2.962 20 5 GFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000592828126 565299278 /nfs/dbraw/zinc/29/92/78/565299278.db2.gz CTSCEZQOACKMGC-CQSZACIVSA-N 1 0 384.274 2.843 20 5 GFBDRO CCC[N@@H+]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352716 565467684 /nfs/dbraw/zinc/46/76/84/565467684.db2.gz BZFSWTNZKCOPMN-SNVBAGLBSA-N 1 0 382.269 2.664 20 5 GFBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000598042807 565590499 /nfs/dbraw/zinc/59/04/99/565590499.db2.gz YLQNFGPXRPLLCJ-CQSZACIVSA-N 1 0 384.274 2.843 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000599009888 565654251 /nfs/dbraw/zinc/65/42/51/565654251.db2.gz NXZZVQXVLKWJRG-OCCSQVGLSA-N 1 0 388.205 2.857 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601556177 565791098 /nfs/dbraw/zinc/79/10/98/565791098.db2.gz KCURXINSAFAJLI-SWLSCSKDSA-N 1 0 382.258 2.500 20 5 GFBDRO O=C(C1CC1)N1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602428464 565847649 /nfs/dbraw/zinc/84/76/49/565847649.db2.gz NYPDQSXQTYDHCR-UHFFFAOYSA-N 1 0 388.287 2.909 20 5 GFBDRO CC(=O)N1CC[C@H](CN(C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602491649 565850887 /nfs/dbraw/zinc/85/08/87/565850887.db2.gz CHXMDFXASCGPNG-SNVBAGLBSA-N 1 0 376.276 2.719 20 5 GFBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736842674 598830188 /nfs/dbraw/zinc/83/01/88/598830188.db2.gz SYYSHTABEQQTKD-UHFFFAOYSA-N 1 0 393.451 2.876 20 5 GFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822271100 606721529 /nfs/dbraw/zinc/72/15/29/606721529.db2.gz MIRWEMIXXNEHIJ-UHFFFAOYSA-N 1 0 393.451 2.796 20 5 GFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000824252961 660388199 /nfs/dbraw/zinc/38/81/99/660388199.db2.gz MNCZEBZPPLDBMV-IINYFYTJSA-N 1 0 383.246 2.915 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000825707888 660438743 /nfs/dbraw/zinc/43/87/43/660438743.db2.gz AFWVCTBHUXCWKQ-LBPRGKRZSA-N 1 0 397.273 2.843 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302095 660488107 /nfs/dbraw/zinc/48/81/07/660488107.db2.gz SUCWCYLUFQVDJN-SMDDNHRTSA-N 1 0 382.258 2.832 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097347522 655034625 /nfs/dbraw/zinc/03/46/25/655034625.db2.gz URFBODUAYDRYSI-JTQLQIEISA-N 1 0 375.210 2.953 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272471270 655114166 /nfs/dbraw/zinc/11/41/66/655114166.db2.gz RWIPDDRJBPBJMI-QMTHXVAHSA-N 1 0 383.246 2.915 20 5 GFBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728510 655253933 /nfs/dbraw/zinc/25/39/33/655253933.db2.gz DMQPSMOBYOSLRG-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000177616779 655283398 /nfs/dbraw/zinc/28/33/98/655283398.db2.gz PJNQDFKJQZWJAI-ZDUSSCGKSA-N 1 0 387.889 2.806 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000119575324 655307644 /nfs/dbraw/zinc/30/76/44/655307644.db2.gz HEUBUEKATMBZKT-LBPRGKRZSA-N 1 0 375.878 2.649 20 5 GFBDRO C[NH+](C)C(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000518015344 655419975 /nfs/dbraw/zinc/41/99/75/655419975.db2.gz UXOKAITYRQEGLO-UHFFFAOYSA-N 1 0 377.226 2.629 20 5 GFBDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237054211 655425493 /nfs/dbraw/zinc/42/54/93/655425493.db2.gz VEXNLPQPPGSCJZ-UHFFFAOYSA-N 1 0 387.845 2.537 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264670092 655468176 /nfs/dbraw/zinc/46/81/76/655468176.db2.gz WCDQQARRFXMRPV-STQMWFEESA-N 1 0 375.397 2.630 20 5 GFBDRO C[N@H+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000732038373 655590921 /nfs/dbraw/zinc/59/09/21/655590921.db2.gz MFDXGIHECOPHNB-UHFFFAOYSA-N 1 0 377.413 2.877 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000752249051 655841399 /nfs/dbraw/zinc/84/13/99/655841399.db2.gz YEYCCUXLIFGOCS-GFCCVEGCSA-N 1 0 375.878 2.567 20 5 GFBDRO C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000754487953 655868724 /nfs/dbraw/zinc/86/87/24/655868724.db2.gz FQCJBMFOPIYFCW-SNVBAGLBSA-N 1 0 379.429 2.979 20 5 GFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768838952 656254836 /nfs/dbraw/zinc/25/48/36/656254836.db2.gz YUINCIFGRXSUPC-LBPRGKRZSA-N 1 0 375.516 2.835 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000769404835 656274592 /nfs/dbraw/zinc/27/45/92/656274592.db2.gz QPBPYCHXQXDIAK-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000775595675 656653442 /nfs/dbraw/zinc/65/34/42/656653442.db2.gz LWBPVWDIGUEECQ-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000784719615 657323797 /nfs/dbraw/zinc/32/37/97/657323797.db2.gz DGWWREKYPDPUOA-AAEUAGOBSA-N 1 0 389.905 2.955 20 5 GFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000785862743 657391150 /nfs/dbraw/zinc/39/11/50/657391150.db2.gz HESRJPYOTGYWQT-HNNXBMFYSA-N 1 0 395.257 2.924 20 5 GFBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791422451 658096319 /nfs/dbraw/zinc/09/63/19/658096319.db2.gz GDPMDNRSPPKIJA-JTQLQIEISA-N 1 0 396.296 2.912 20 5 GFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796113160 658893251 /nfs/dbraw/zinc/89/32/51/658893251.db2.gz HHETWOZOSVNEEH-CMPLNLGQSA-N 1 0 391.852 2.635 20 5 GFBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809809638 659940517 /nfs/dbraw/zinc/94/05/17/659940517.db2.gz UKBAFYLLBDVJGJ-UHFFFAOYSA-N 1 0 393.868 2.929 20 5 GFBDRO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809975520 659954271 /nfs/dbraw/zinc/95/42/71/659954271.db2.gz MFNOUSCUSOOQEK-ZDUSSCGKSA-N 1 0 376.240 2.662 20 5 GFBDRO CC(C)C[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810138244 659964374 /nfs/dbraw/zinc/96/43/74/659964374.db2.gz NBXMSRJSYJUNPA-ZDUSSCGKSA-N 1 0 378.210 2.696 20 5 GFBDRO CC[NH+](CC)CCOCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813516359 660056080 /nfs/dbraw/zinc/05/60/80/660056080.db2.gz IEBICLRRCLIQEL-UHFFFAOYSA-N 1 0 378.256 2.990 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000814990022 660100321 /nfs/dbraw/zinc/10/03/21/660100321.db2.gz YEVTWDZADIMCFK-GHMZBOCLSA-N 1 0 393.868 2.929 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021405 660102670 /nfs/dbraw/zinc/10/26/70/660102670.db2.gz LUBYTOBCTWLBPI-NXEZZACHSA-N 1 0 379.841 2.538 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000841547732 661295851 /nfs/dbraw/zinc/29/58/51/661295851.db2.gz AHFDMJHYSFHFDI-GFCCVEGCSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000841550480 661296951 /nfs/dbraw/zinc/29/69/51/661296951.db2.gz XJKJPHBZAIIKPD-GFCCVEGCSA-N 1 0 375.878 2.567 20 5 GFBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841994758 661319265 /nfs/dbraw/zinc/31/92/65/661319265.db2.gz KAVNBLSHOSTHDP-LLVKDONJSA-N 1 0 399.289 2.943 20 5 GFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000842740738 661351898 /nfs/dbraw/zinc/35/18/98/661351898.db2.gz KZKVPVPESXTMTF-FGWVZKOKSA-N 1 0 394.280 2.935 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848509452 661658717 /nfs/dbraw/zinc/65/87/17/661658717.db2.gz VUVNSMVZXZOIKM-UONOGXRCSA-N 1 0 387.889 2.852 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000851812945 661833643 /nfs/dbraw/zinc/83/36/43/661833643.db2.gz PDVDSVSKDNRXKX-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO O=[N+]([O-])c1cc(C[N@H+](CCN2CCOCC2)CC2CC2)ccc1Br ZINC000852636362 661869239 /nfs/dbraw/zinc/86/92/39/661869239.db2.gz SLVDWRRIQMYMRN-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729887 662039440 /nfs/dbraw/zinc/03/94/40/662039440.db2.gz YPSRDUKXMBPWOZ-CQSZACIVSA-N 1 0 397.317 2.964 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863651974 662342637 /nfs/dbraw/zinc/34/26/37/662342637.db2.gz NMXJVJNEQVNURF-CQSZACIVSA-N 1 0 398.301 2.948 20 5 GFBDRO CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000869072701 662629013 /nfs/dbraw/zinc/62/90/13/662629013.db2.gz PZTIAERXBNPDKP-ZDUSSCGKSA-N 1 0 384.274 2.843 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000882344673 663024990 /nfs/dbraw/zinc/02/49/90/663024990.db2.gz CELONAKOQCBZAQ-UHFFFAOYSA-N 1 0 387.889 2.663 20 5 GFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892162502 663364376 /nfs/dbraw/zinc/36/43/76/663364376.db2.gz AMYZIEWUXNMWSZ-ZDUSSCGKSA-N 1 0 385.262 2.689 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC([NH+]2CCC2)CC1 ZINC000912878546 664307053 /nfs/dbraw/zinc/30/70/53/664307053.db2.gz ZUDTWVUFKUNZTC-UHFFFAOYSA-N 1 0 386.221 2.807 20 5 GFBDRO CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000920045115 664521097 /nfs/dbraw/zinc/52/10/97/664521097.db2.gz RDAQIRJLAPSWIE-ZDUSSCGKSA-N 1 0 375.516 2.691 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000929722262 664756536 /nfs/dbraw/zinc/75/65/36/664756536.db2.gz KRKWANLKYUIQMP-UHFFFAOYSA-N 1 0 399.289 2.884 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935152415 664942754 /nfs/dbraw/zinc/94/27/54/664942754.db2.gz SZZXKMXBIOMDJP-JTQLQIEISA-N 1 0 399.289 2.742 20 5 GFBDRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]21 ZINC001164441467 718987540 /nfs/dbraw/zinc/98/75/40/718987540.db2.gz ZSHYXGRXXCWKGQ-YABSGUDNSA-N 1 0 381.770 2.643 20 5 GFBDRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@H]21 ZINC001164439595 718987569 /nfs/dbraw/zinc/98/75/69/718987569.db2.gz FZJKMPKLPQUTNM-YABSGUDNSA-N 1 0 381.770 2.643 20 5 GFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624370 719080318 /nfs/dbraw/zinc/08/03/18/719080318.db2.gz LKUBNAYIWWUZFL-RDJZCZTQSA-N 1 0 388.855 2.982 20 5 GFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624366 719081055 /nfs/dbraw/zinc/08/10/55/719081055.db2.gz LKUBNAYIWWUZFL-DOTOQJQBSA-N 1 0 388.855 2.982 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816412 720100307 /nfs/dbraw/zinc/10/03/07/720100307.db2.gz YQWIFOZWLJXTIN-RDTXWAMCSA-N 1 0 380.876 2.828 20 5 GFBDRO CCOc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ccc1[N+](=O)[O-] ZINC001164811133 720147908 /nfs/dbraw/zinc/14/79/08/720147908.db2.gz LRDDBGFEXCXZIZ-JXFKEZNVSA-N 1 0 390.484 2.573 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728688 720558710 /nfs/dbraw/zinc/55/87/10/720558710.db2.gz KVUNMEUCRLQRRP-UHFFFAOYSA-N 1 0 390.875 2.807 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001165024772 721816340 /nfs/dbraw/zinc/81/63/40/721816340.db2.gz KOUXLXASQGYPPN-USXIJHARSA-N 1 0 382.468 2.704 20 5 GFBDRO Cc1c(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971379 722124486 /nfs/dbraw/zinc/12/44/86/722124486.db2.gz BSDFNUYILYJDFA-ICSRJNTNSA-N 1 0 397.479 2.729 20 5 GFBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000097093953 551196378 /nfs/dbraw/zinc/19/63/78/551196378.db2.gz UCVAVLCONSIKSY-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000121398014 551233724 /nfs/dbraw/zinc/23/37/24/551233724.db2.gz SMTMJKZUICSMCQ-CYBMUJFWSA-N 1 0 382.258 2.976 20 5 GFBDRO CN1CC[NH+]([C@H]2CCCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127038230 551336324 /nfs/dbraw/zinc/33/63/24/551336324.db2.gz RKLZHLCFZSVHOD-HNNXBMFYSA-N 1 0 397.317 2.964 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160148580 551576256 /nfs/dbraw/zinc/57/62/56/551576256.db2.gz GYSUHXZCASUJHA-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000175899534 552132015 /nfs/dbraw/zinc/13/20/15/552132015.db2.gz MPISHYBLEODNRX-UHFFFAOYSA-N 1 0 375.516 2.693 20 5 GFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188249447 552440166 /nfs/dbraw/zinc/44/01/66/552440166.db2.gz GXANQCQGJQXLCT-UHFFFAOYSA-N 1 0 377.894 2.991 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000193908756 553006338 /nfs/dbraw/zinc/00/63/38/553006338.db2.gz URCIZAJHUWHZMN-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000194441563 553021003 /nfs/dbraw/zinc/02/10/03/553021003.db2.gz XIUMOCRUYPHSNP-UHFFFAOYSA-N 1 0 375.878 2.789 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000248420534 553129591 /nfs/dbraw/zinc/12/95/91/553129591.db2.gz XDTGULFKSJZLEL-DGCLKSJQSA-N 1 0 382.258 2.914 20 5 GFBDRO C[NH2+]CCC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000261998809 553163988 /nfs/dbraw/zinc/16/39/88/553163988.db2.gz OUOONDSMLOLQNN-UHFFFAOYSA-N 1 0 399.289 2.617 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NC3CC[NH2+]CC3)cc2[N+](=O)[O-])n1 ZINC000262089129 553165911 /nfs/dbraw/zinc/16/59/11/553165911.db2.gz ALRIPSRLBASWRU-UHFFFAOYSA-N 1 0 378.479 2.993 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369540570 563216589 /nfs/dbraw/zinc/21/65/89/563216589.db2.gz ORXRPIVAFGFNCN-LRDDRELGSA-N 1 0 381.479 2.628 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371236700 563269132 /nfs/dbraw/zinc/26/91/32/563269132.db2.gz QONHFNABBKUDGU-ABAIWWIYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000375032864 563388964 /nfs/dbraw/zinc/38/89/64/563388964.db2.gz YIRIWBSNRVJJNV-LBPRGKRZSA-N 1 0 382.258 2.976 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000282108153 563398205 /nfs/dbraw/zinc/39/82/05/563398205.db2.gz PSZCXVQFLQXXSD-CQSZACIVSA-N 1 0 394.225 2.632 20 5 GFBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302275852 563424728 /nfs/dbraw/zinc/42/47/28/563424728.db2.gz IVIMRXKIFPPILZ-AWEZNQCLSA-N 1 0 387.267 2.644 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290172979 563700149 /nfs/dbraw/zinc/70/01/49/563700149.db2.gz OYCFWWUQULFWNV-GFCCVEGCSA-N 1 0 382.258 2.819 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363117023 563715053 /nfs/dbraw/zinc/71/50/53/563715053.db2.gz CQPGIYGLPLSJGX-HZUKXOBISA-N 1 0 394.269 2.914 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290827901 563722627 /nfs/dbraw/zinc/72/26/27/563722627.db2.gz UHDOPTRGLCTCFR-JTQLQIEISA-N 1 0 393.868 2.738 20 5 GFBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000291816675 563760416 /nfs/dbraw/zinc/76/04/16/563760416.db2.gz DRUNCCQQPATDSR-GFCCVEGCSA-N 1 0 387.889 2.743 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000365725036 563791589 /nfs/dbraw/zinc/79/15/89/563791589.db2.gz FBMXUJVQNWWZTC-VIFPVBQESA-N 1 0 376.276 2.975 20 5 GFBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000366739386 563818684 /nfs/dbraw/zinc/81/86/84/563818684.db2.gz NWYVLMOBBNFZPS-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447159789 563875791 /nfs/dbraw/zinc/87/57/91/563875791.db2.gz MMLQIUINXFLZTF-UHFFFAOYSA-N 1 0 387.845 2.594 20 5 GFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000505512695 564184866 /nfs/dbraw/zinc/18/48/66/564184866.db2.gz CDMDTYKQTAZLGK-QGZVFWFLSA-N 1 0 396.285 2.844 20 5 GFBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000449647880 564193728 /nfs/dbraw/zinc/19/37/28/564193728.db2.gz PYURKCWPSXJWFN-OLZOCXBDSA-N 1 0 378.210 2.839 20 5 GFBDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564689296 564245234 /nfs/dbraw/zinc/24/52/34/564245234.db2.gz NFOJHBAZTRCQPV-ZDUSSCGKSA-N 1 0 378.210 2.840 20 5 GFBDRO Cc1sc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000473907318 564256451 /nfs/dbraw/zinc/25/64/51/564256451.db2.gz BCUZWDJRIPOQHV-CQSZACIVSA-N 1 0 375.516 2.754 20 5 GFBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476580390 564347080 /nfs/dbraw/zinc/34/70/80/564347080.db2.gz UFGKSSBRNPZYOD-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO C[NH+](C)[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000567002840 564353665 /nfs/dbraw/zinc/35/36/65/564353665.db2.gz JKRZVZPXBOJLAV-AWEZNQCLSA-N 1 0 389.237 2.629 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000515737484 564487036 /nfs/dbraw/zinc/48/70/36/564487036.db2.gz NHVYHERXQAQMED-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658158 564559488 /nfs/dbraw/zinc/55/94/88/564559488.db2.gz SNNOIUNGPZDPNC-BETUJISGSA-N 1 0 389.905 2.895 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571638251 564559805 /nfs/dbraw/zinc/55/98/05/564559805.db2.gz ANACBPRZJUZWRD-RYUDHWBXSA-N 1 0 382.258 2.819 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658160 564559970 /nfs/dbraw/zinc/55/99/70/564559970.db2.gz SNNOIUNGPZDPNC-STQMWFEESA-N 1 0 389.905 2.895 20 5 GFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000552402274 564690124 /nfs/dbraw/zinc/69/01/24/564690124.db2.gz RGPULCNVQQCQEB-ZDUSSCGKSA-N 1 0 389.237 2.725 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)s2)c1 ZINC000553199935 564711980 /nfs/dbraw/zinc/71/19/80/564711980.db2.gz ZKDLSIGOSVGOOK-LLVKDONJSA-N 1 0 387.255 2.948 20 5 GFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCn2cc(Br)cn2)n1 ZINC000490270673 564767260 /nfs/dbraw/zinc/76/72/60/564767260.db2.gz GIORYYGVHKWXSZ-ZIAGYGMSSA-N 1 0 397.277 2.914 20 5 GFBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462466163 564841789 /nfs/dbraw/zinc/84/17/89/564841789.db2.gz UYVOGVVMVWBKFN-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO Cc1cc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Br ZINC000558476230 564902603 /nfs/dbraw/zinc/90/26/03/564902603.db2.gz RRTZXHFPEDHPBA-CQSZACIVSA-N 1 0 397.273 2.748 20 5 GFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000531509204 564912299 /nfs/dbraw/zinc/91/22/99/564912299.db2.gz MOFVCQIELSIVES-UHFFFAOYSA-N 1 0 386.290 2.946 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047023 564954535 /nfs/dbraw/zinc/95/45/35/564954535.db2.gz AKYINXSNROLUNV-GRYCIOLGSA-N 1 0 375.516 2.609 20 5 GFBDRO CC[N@@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000589256985 565157935 /nfs/dbraw/zinc/15/79/35/565157935.db2.gz AIIRHTHGTMWQAD-NSHDSACASA-N 1 0 389.237 2.725 20 5 GFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592365995 565272424 /nfs/dbraw/zinc/27/24/24/565272424.db2.gz OVMMHWXHXVSXSM-ONGXEEELSA-N 1 0 381.376 2.504 20 5 GFBDRO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000619586971 565350898 /nfs/dbraw/zinc/35/08/98/565350898.db2.gz MNPNUKZMYOWETD-GFCCVEGCSA-N 1 0 383.290 2.938 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000594983922 565439361 /nfs/dbraw/zinc/43/93/61/565439361.db2.gz RGZAGYUQPQHKAN-GFCCVEGCSA-N 1 0 390.221 2.698 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000596076144 565512186 /nfs/dbraw/zinc/51/21/86/565512186.db2.gz FQWAHOZLMKAPQZ-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000599704879 565697670 /nfs/dbraw/zinc/69/76/70/565697670.db2.gz WQYGAZPMUZRFHU-YPMHNXCESA-N 1 0 382.258 2.914 20 5 GFBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601497041 565787171 /nfs/dbraw/zinc/78/71/71/565787171.db2.gz NRLKNGHATYNUMO-UHFFFAOYSA-N 1 0 387.889 2.887 20 5 GFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000601502936 565788249 /nfs/dbraw/zinc/78/82/49/565788249.db2.gz WUQRZYSGFOZVMC-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO O=[N+]([O-])c1sc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1Br ZINC000602483334 565851522 /nfs/dbraw/zinc/85/15/22/565851522.db2.gz GGVZYDWMUWBOBZ-SNVBAGLBSA-N 1 0 386.275 2.923 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2[N+](=O)[O-])n1 ZINC000602606785 565857435 /nfs/dbraw/zinc/85/74/35/565857435.db2.gz XHPJYLKWSIKEDG-RYUDHWBXSA-N 1 0 376.463 2.697 20 5 GFBDRO CC(C)(CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)S(C)(=O)=O ZINC000602691888 565864060 /nfs/dbraw/zinc/86/40/60/565864060.db2.gz VDKPSHMIAQADTI-UHFFFAOYSA-N 1 0 385.305 2.722 20 5 GFBDRO O=[N+]([O-])c1sc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000602718701 565864748 /nfs/dbraw/zinc/86/47/48/565864748.db2.gz QCZVNIUSFJAILM-NSHDSACASA-N 1 0 390.303 2.762 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000603975573 565920352 /nfs/dbraw/zinc/92/03/52/565920352.db2.gz BKBLFVRRLYZZNZ-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736201107 599170593 /nfs/dbraw/zinc/17/05/93/599170593.db2.gz GQIGHZYNQJRSMG-CYBMUJFWSA-N 1 0 394.439 2.807 20 5 GFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738373727 598580741 /nfs/dbraw/zinc/58/07/41/598580741.db2.gz GEXVKIFBQVUAGU-CQSZACIVSA-N 1 0 386.460 2.627 20 5 GFBDRO CCCC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821066501 599497758 /nfs/dbraw/zinc/49/77/58/599497758.db2.gz UKCULELOWZQMJV-UHFFFAOYSA-N 1 0 396.455 3.000 20 5 GFBDRO CC[NH+](CC)Cc1cccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c1 ZINC000821198305 606699587 /nfs/dbraw/zinc/69/95/87/606699587.db2.gz RFXUELJFNXTEPF-UHFFFAOYSA-N 1 0 382.428 2.624 20 5 GFBDRO Cc1c(Br)c(NCCCC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000541591232 650387676 /nfs/dbraw/zinc/38/76/76/650387676.db2.gz MYAKLHDPJDIVIX-UHFFFAOYSA-N 1 0 386.294 2.500 20 5 GFBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCOC1 ZINC000822861159 660356067 /nfs/dbraw/zinc/35/60/67/660356067.db2.gz ACDSFMFJTQXVCS-HNNXBMFYSA-N 1 0 387.230 2.559 20 5 GFBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[NH+]1CCCCC1 ZINC000823559998 660374721 /nfs/dbraw/zinc/37/47/21/660374721.db2.gz BVVPKDSZPKKISQ-UHFFFAOYSA-N 1 0 385.262 2.747 20 5 GFBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832756722 660798499 /nfs/dbraw/zinc/79/84/99/660798499.db2.gz SMVMQXWHDRUHTJ-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000123474704 654756943 /nfs/dbraw/zinc/75/69/43/654756943.db2.gz VGMAZYIBMPTKDX-SNVBAGLBSA-N 1 0 375.256 2.901 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000124247050 654772652 /nfs/dbraw/zinc/77/26/52/654772652.db2.gz TYRBQYDAVUQGFY-CYBMUJFWSA-N 1 0 387.889 2.663 20 5 GFBDRO Cc1sc(S(=O)(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000125796336 654802315 /nfs/dbraw/zinc/80/23/15/654802315.db2.gz KJQALVIPIUXCLF-UHFFFAOYSA-N 1 0 387.458 2.644 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272471274 655114089 /nfs/dbraw/zinc/11/40/89/655114089.db2.gz RWIPDDRJBPBJMI-YGRLFVJLSA-N 1 0 383.246 2.915 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000273566654 655148368 /nfs/dbraw/zinc/14/83/68/655148368.db2.gz YLXIRDCTERWGEZ-JKSUJKDBSA-N 1 0 381.523 2.969 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)c1 ZINC000173282948 655167184 /nfs/dbraw/zinc/16/71/84/655167184.db2.gz WFWPTOZPTVXSKH-HNNXBMFYSA-N 1 0 395.257 2.584 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000119911039 655320975 /nfs/dbraw/zinc/32/09/75/655320975.db2.gz DOCUZKDQSBJLEM-ZDUSSCGKSA-N 1 0 383.495 2.845 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000725825408 655527176 /nfs/dbraw/zinc/52/71/76/655527176.db2.gz BLPKYPYESQZWPZ-GFCCVEGCSA-N 1 0 375.878 2.649 20 5 GFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731984522 655590410 /nfs/dbraw/zinc/59/04/10/655590410.db2.gz LIGMVPXJUOJHTG-NSHDSACASA-N 1 0 377.413 2.735 20 5 GFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000753031194 655849544 /nfs/dbraw/zinc/84/95/44/655849544.db2.gz ZNYRVCYZKHSODD-VIFPVBQESA-N 1 0 376.226 2.955 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000761883470 656023526 /nfs/dbraw/zinc/02/35/26/656023526.db2.gz WNXDTQOIWHPXSN-ZDUSSCGKSA-N 1 0 385.262 2.808 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000769492862 656278090 /nfs/dbraw/zinc/27/80/90/656278090.db2.gz NXZWMEVNWUUTLM-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO Cc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1Br ZINC000786803402 657466843 /nfs/dbraw/zinc/46/68/43/657466843.db2.gz GZTMQDQIODMSFJ-CYBMUJFWSA-N 1 0 384.274 2.824 20 5 GFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798169929 659078290 /nfs/dbraw/zinc/07/82/90/659078290.db2.gz GSOZYECJIRGJBR-LLVKDONJSA-N 1 0 385.262 2.747 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798228634 659087420 /nfs/dbraw/zinc/08/74/20/659087420.db2.gz ODZJBGRFGDXQAW-LLVKDONJSA-N 1 0 393.868 2.740 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000809808386 659940162 /nfs/dbraw/zinc/94/01/62/659940162.db2.gz QZNUFCQXMXBGBM-QWRGUYRKSA-N 1 0 393.868 2.929 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823236 659943774 /nfs/dbraw/zinc/94/37/74/659943774.db2.gz JDWGZGFHRYPSCZ-SNVBAGLBSA-N 1 0 379.841 2.540 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000814980601 660099805 /nfs/dbraw/zinc/09/98/05/660099805.db2.gz QJEXSNFMVYHLOF-UHFFFAOYSA-N 1 0 379.841 2.542 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000814996610 660100599 /nfs/dbraw/zinc/10/05/99/660100599.db2.gz SBYOCAODUUHNCK-LLVKDONJSA-N 1 0 393.868 2.788 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018923 660102257 /nfs/dbraw/zinc/10/22/57/660102257.db2.gz DNTJHKFVEKANLW-NSHDSACASA-N 1 0 393.868 2.740 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021482 660102687 /nfs/dbraw/zinc/10/26/87/660102687.db2.gz LUBYTOBCTWLBPI-ZJUUUORDSA-N 1 0 379.841 2.538 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023277 660103113 /nfs/dbraw/zinc/10/31/13/660103113.db2.gz PKSIAJIRJUOBRN-SNVBAGLBSA-N 1 0 379.841 2.540 20 5 GFBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815026525 660103782 /nfs/dbraw/zinc/10/37/82/660103782.db2.gz QVUFQLPTRHNAJG-UHFFFAOYSA-N 1 0 393.868 2.786 20 5 GFBDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109258 661368498 /nfs/dbraw/zinc/36/84/98/661368498.db2.gz WYCLJSNPYFLVRV-SWLSCSKDSA-N 1 0 384.479 2.532 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843113537 661369144 /nfs/dbraw/zinc/36/91/44/661369144.db2.gz WLORDCPAVCQQNE-CVEARBPZSA-N 1 0 381.226 2.714 20 5 GFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843356415 661378583 /nfs/dbraw/zinc/37/85/83/661378583.db2.gz NWLHEDAQGLNJIL-NSHDSACASA-N 1 0 376.226 2.942 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000853677631 661897009 /nfs/dbraw/zinc/89/70/09/661897009.db2.gz RZQZPCWRROOWSX-UHFFFAOYSA-N 1 0 384.274 2.688 20 5 GFBDRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863572841 662336840 /nfs/dbraw/zinc/33/68/40/662336840.db2.gz GSDCRUPHXFMAFZ-CQSZACIVSA-N 1 0 382.214 2.584 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865034115 662395783 /nfs/dbraw/zinc/39/57/83/662395783.db2.gz RZXNNJJDLAVHAE-ZDUSSCGKSA-N 1 0 384.274 2.746 20 5 GFBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000867618448 662563255 /nfs/dbraw/zinc/56/32/55/662563255.db2.gz DSGFXRMYPVVXDB-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867812926 662579407 /nfs/dbraw/zinc/57/94/07/662579407.db2.gz OAMZNBYNZVCNSW-SKDRFNHKSA-N 1 0 394.280 2.616 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867812924 662579505 /nfs/dbraw/zinc/57/95/05/662579505.db2.gz OAMZNBYNZVCNSW-CABZTGNLSA-N 1 0 394.280 2.616 20 5 GFBDRO CCN(CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)S(C)(=O)=O ZINC000872024854 662754026 /nfs/dbraw/zinc/75/40/26/662754026.db2.gz WOVANTLLKNFNSD-LBPRGKRZSA-N 1 0 375.516 2.639 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827214 662837582 /nfs/dbraw/zinc/83/75/82/662837582.db2.gz YBJILFMRYLHTNA-UONOGXRCSA-N 1 0 382.258 2.595 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877356535 662874166 /nfs/dbraw/zinc/87/41/66/662874166.db2.gz SGEXOKJVJHMXCX-SFYZADRCSA-N 1 0 396.163 2.567 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877358566 662874422 /nfs/dbraw/zinc/87/44/22/662874422.db2.gz PQWCHWDVPSOWKE-SCZZXKLOSA-N 1 0 397.806 2.936 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000883148895 663050458 /nfs/dbraw/zinc/05/04/58/663050458.db2.gz NNEZTDRPOHFJNP-ZIAGYGMSSA-N 1 0 397.273 2.783 20 5 GFBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889722897 663260728 /nfs/dbraw/zinc/26/07/28/663260728.db2.gz QKGTXTUULDHIMR-UHFFFAOYSA-N 1 0 385.262 2.593 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889725198 663261126 /nfs/dbraw/zinc/26/11/26/663261126.db2.gz MNCTYRRJJHYBME-GFCCVEGCSA-N 1 0 399.289 2.841 20 5 GFBDRO COC1CC[NH+](CCNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000896883523 663580675 /nfs/dbraw/zinc/58/06/75/663580675.db2.gz KUOUMQJZNCVMPP-UHFFFAOYSA-N 1 0 394.230 2.881 20 5 GFBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897876380 663623425 /nfs/dbraw/zinc/62/34/25/663623425.db2.gz LDTAYSCJINLKKJ-VIFPVBQESA-N 1 0 394.230 2.617 20 5 GFBDRO Cn1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)n1 ZINC000903187321 663777457 /nfs/dbraw/zinc/77/74/57/663777457.db2.gz APKUMGGUJHJVLR-UHFFFAOYSA-N 1 0 394.273 2.849 20 5 GFBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000927705014 664714326 /nfs/dbraw/zinc/71/43/26/664714326.db2.gz WLTXFQAHOOZOJA-UHFFFAOYSA-N 1 0 393.241 2.677 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810907 720087127 /nfs/dbraw/zinc/08/71/27/720087127.db2.gz MFRVNEAYWPQANH-IERDGZPVSA-N 1 0 397.479 2.723 20 5 GFBDRO COc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164793111 721489131 /nfs/dbraw/zinc/48/91/31/721489131.db2.gz NXDNNMWDACCHRY-UHFFFAOYSA-N 1 0 398.467 2.669 20 5 GFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899724 721511268 /nfs/dbraw/zinc/51/12/68/721511268.db2.gz LYGFRUVHIBGWSJ-OCCSQVGLSA-N 1 0 393.806 2.519 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000125986425 551325268 /nfs/dbraw/zinc/32/52/68/551325268.db2.gz JYDCRUOTFPDURW-XJKSGUPXSA-N 1 0 395.257 2.752 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000151291067 551410739 /nfs/dbraw/zinc/41/07/39/551410739.db2.gz OUSNSDBQMOIZSR-UHFFFAOYSA-N 1 0 391.229 2.734 20 5 GFBDRO CCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151506545 551414796 /nfs/dbraw/zinc/41/47/96/551414796.db2.gz UGHUWXTVPSJFDS-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000151739259 551420413 /nfs/dbraw/zinc/42/04/13/551420413.db2.gz DWZMESGCHJHKBI-UHFFFAOYSA-N 1 0 375.878 2.647 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000155214020 551494372 /nfs/dbraw/zinc/49/43/72/551494372.db2.gz KAHFEGHPXQGJEP-QWHCGFSZSA-N 1 0 384.274 2.889 20 5 GFBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155762604 551507158 /nfs/dbraw/zinc/50/71/58/551507158.db2.gz JIPLEUZEUZAIBG-UHFFFAOYSA-N 1 0 383.495 2.550 20 5 GFBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000158597403 551554541 /nfs/dbraw/zinc/55/45/41/551554541.db2.gz UUUZQLBTSVYKHB-LBPRGKRZSA-N 1 0 387.889 2.886 20 5 GFBDRO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171767522 551662661 /nfs/dbraw/zinc/66/26/61/551662661.db2.gz XTSSFYGQHVSQNY-UHFFFAOYSA-N 1 0 383.495 2.741 20 5 GFBDRO CC[NH+](CC)[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173850462 552094085 /nfs/dbraw/zinc/09/40/85/552094085.db2.gz ISHBPAISEJNVMR-ZDUSSCGKSA-N 1 0 399.289 2.712 20 5 GFBDRO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177702724 552157068 /nfs/dbraw/zinc/15/70/68/552157068.db2.gz WOCJNHIEMQPIQW-ZDUSSCGKSA-N 1 0 399.289 2.712 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000181499791 552258454 /nfs/dbraw/zinc/25/84/54/552258454.db2.gz CIIILNUIWCVVDI-CYBMUJFWSA-N 1 0 383.495 2.936 20 5 GFBDRO CC[C@@]1(CO)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000189635661 552476309 /nfs/dbraw/zinc/47/63/09/552476309.db2.gz QERYRRFADQMFIB-HNNXBMFYSA-N 1 0 386.246 2.533 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246189669 553103928 /nfs/dbraw/zinc/10/39/28/553103928.db2.gz OOKSFJCNZQZLQK-XHDPSFHLSA-N 1 0 384.274 2.698 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000246204501 553104361 /nfs/dbraw/zinc/10/43/61/553104361.db2.gz FGXBNTFMBSMNRF-FZMZJTMJSA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000250083869 553147541 /nfs/dbraw/zinc/14/75/41/553147541.db2.gz CTJSFABXMGITEP-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262429378 553170904 /nfs/dbraw/zinc/17/09/04/553170904.db2.gz DKQVOPGXGZNMMO-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369539351 563216381 /nfs/dbraw/zinc/21/63/81/563216381.db2.gz IAPKAXXKRVGUHP-MLGOLLRUSA-N 1 0 381.479 2.628 20 5 GFBDRO C[C@H](CCCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000294895513 563220722 /nfs/dbraw/zinc/22/07/22/563220722.db2.gz WVNUKWJENFVVDP-SNVBAGLBSA-N 1 0 378.210 2.698 20 5 GFBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000369721147 563222863 /nfs/dbraw/zinc/22/28/63/563222863.db2.gz LZWGFFULOSOSEY-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000369783780 563224828 /nfs/dbraw/zinc/22/48/28/563224828.db2.gz WSDLUPYBHXCDNN-CVEARBPZSA-N 1 0 395.257 2.752 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000424055436 563368602 /nfs/dbraw/zinc/36/86/02/563368602.db2.gz BHOILQFTXSJTTI-WZRBSPASSA-N 1 0 384.274 2.732 20 5 GFBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000424055428 563368628 /nfs/dbraw/zinc/36/86/28/563368628.db2.gz BHOILQFTXSJTTI-MDZLAQPJSA-N 1 0 384.274 2.732 20 5 GFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301360538 563401667 /nfs/dbraw/zinc/40/16/67/563401667.db2.gz PZOVNYLJZAIQNQ-OAHLLOKOSA-N 1 0 397.317 2.964 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375535544 563408895 /nfs/dbraw/zinc/40/88/95/563408895.db2.gz AGNMYJIEFVZJNU-HZMBPMFUSA-N 1 0 383.246 2.915 20 5 GFBDRO C[C@H]1C[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@@H+]1C ZINC000286472374 563561681 /nfs/dbraw/zinc/56/16/81/563561681.db2.gz ZULJCHMYZPGZFY-RYUDHWBXSA-N 1 0 396.285 2.972 20 5 GFBDRO O=C(CNc1ccc(Br)cc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431512414 563562326 /nfs/dbraw/zinc/56/23/26/563562326.db2.gz OQOYOXZYXUYAKD-UHFFFAOYSA-N 1 0 399.289 2.761 20 5 GFBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000435597712 563654281 /nfs/dbraw/zinc/65/42/81/563654281.db2.gz NLGWHVXVMIMMBM-LBPRGKRZSA-N 1 0 380.495 2.982 20 5 GFBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000435597711 563654344 /nfs/dbraw/zinc/65/43/44/563654344.db2.gz NLGWHVXVMIMMBM-GFCCVEGCSA-N 1 0 380.495 2.982 20 5 GFBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000288856181 563659205 /nfs/dbraw/zinc/65/92/05/563659205.db2.gz FNDKRWMQELCZOA-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000289111303 563668306 /nfs/dbraw/zinc/66/83/06/563668306.db2.gz CURWIAYWTSMZOF-MGCOHNPYSA-N 1 0 388.237 2.991 20 5 GFBDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290322567 563704655 /nfs/dbraw/zinc/70/46/55/563704655.db2.gz ABAFJWUOZMDAJP-UHFFFAOYSA-N 1 0 396.296 2.805 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363647278 563729109 /nfs/dbraw/zinc/72/91/09/563729109.db2.gz UHGPQPBOSMKXST-SGIREYDYSA-N 1 0 394.269 2.914 20 5 GFBDRO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1 ZINC000414485569 563744315 /nfs/dbraw/zinc/74/43/15/563744315.db2.gz POGZZHIIXNUYTL-JTQLQIEISA-N 1 0 394.225 2.843 20 5 GFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000291555729 563747272 /nfs/dbraw/zinc/74/72/72/563747272.db2.gz MQPZYKIXNDQJEE-UHFFFAOYSA-N 1 0 379.240 2.549 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000415710493 563792605 /nfs/dbraw/zinc/79/26/05/563792605.db2.gz ZFNQCSCSCNCNBS-OWYVNGRQSA-N 1 0 383.246 2.948 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366418253 563807757 /nfs/dbraw/zinc/80/77/57/563807757.db2.gz MIXZDZKCRSUXFW-CJNGLKHVSA-N 1 0 396.285 2.890 20 5 GFBDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777057 564295672 /nfs/dbraw/zinc/29/56/72/564295672.db2.gz IXBLMZVSFZAFEX-HZMBPMFUSA-N 1 0 388.262 2.683 20 5 GFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777064 564295801 /nfs/dbraw/zinc/29/58/01/564295801.db2.gz IXBLMZVSFZAFEX-QMTHXVAHSA-N 1 0 388.262 2.683 20 5 GFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510476796 564334908 /nfs/dbraw/zinc/33/49/08/564334908.db2.gz RMQGQKKQLUUMLS-LKFCYVNXSA-N 1 0 382.258 2.878 20 5 GFBDRO C[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567003032 564353547 /nfs/dbraw/zinc/35/35/47/564353547.db2.gz RUCCCEDUEHMQMZ-GXFFZTMASA-N 1 0 389.237 2.772 20 5 GFBDRO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(Br)cn1 ZINC000511108924 564357932 /nfs/dbraw/zinc/35/79/32/564357932.db2.gz NQBJVFQKECZLCN-UHFFFAOYSA-N 1 0 393.241 2.865 20 5 GFBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000480177915 564462300 /nfs/dbraw/zinc/46/23/00/564462300.db2.gz HRIVXIAJKAYBRB-LLVKDONJSA-N 1 0 383.392 2.584 20 5 GFBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000480196069 564463217 /nfs/dbraw/zinc/46/32/17/564463217.db2.gz LABYTWSRAHLSOE-NSHDSACASA-N 1 0 383.392 2.584 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000518445750 564554546 /nfs/dbraw/zinc/55/45/46/564554546.db2.gz YFLIDVJOFXJRHF-CHWSQXEVSA-N 1 0 376.194 2.593 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccsc2Cl)c([N+](=O)[O-])c1 ZINC000518619477 564557789 /nfs/dbraw/zinc/55/77/89/564557789.db2.gz WSQHCUAFOKAYCA-UHFFFAOYSA-N 1 0 389.886 2.679 20 5 GFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000521171577 564620652 /nfs/dbraw/zinc/62/06/52/564620652.db2.gz QVPMHUGCJAYDHT-LBPRGKRZSA-N 1 0 375.516 2.835 20 5 GFBDRO C[N@H+]1C[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]2C1 ZINC000486010466 564635415 /nfs/dbraw/zinc/63/54/15/564635415.db2.gz VABIBVURRBGSJC-PHIMTYICSA-N 1 0 377.242 2.903 20 5 GFBDRO CC(C)[N@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000573611314 564646429 /nfs/dbraw/zinc/64/64/29/564646429.db2.gz VZIMYGOYHRKMQE-UHFFFAOYSA-N 1 0 377.226 2.629 20 5 GFBDRO CC(C)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000487953346 564700168 /nfs/dbraw/zinc/70/01/68/564700168.db2.gz KFUWVKXNRGQHNM-HNNXBMFYSA-N 1 0 399.289 2.568 20 5 GFBDRO COc1ccc([C@H](C[NH3+])Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1 ZINC000584229962 564925925 /nfs/dbraw/zinc/92/59/25/564925925.db2.gz BCXYOJURLRUQRD-GFCCVEGCSA-N 1 0 396.241 2.579 20 5 GFBDRO CN(CCC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000467676735 564969344 /nfs/dbraw/zinc/96/93/44/564969344.db2.gz OHTIQGFOTPQSRT-UHFFFAOYSA-N 1 0 384.274 2.844 20 5 GFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cc(Br)c1=O)Cc1ccc(F)cc1 ZINC000468389796 564982667 /nfs/dbraw/zinc/98/26/67/564982667.db2.gz LYHJWHXJEKSDTO-UHFFFAOYSA-N 1 0 384.205 2.790 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000536831349 565047339 /nfs/dbraw/zinc/04/73/39/565047339.db2.gz HJONEQIJGOUSDT-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CCOCC1 ZINC000584558457 565088088 /nfs/dbraw/zinc/08/80/88/565088088.db2.gz QRAOCKFKKUTIMZ-UHFFFAOYSA-N 1 0 376.194 2.810 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000594990522 565440039 /nfs/dbraw/zinc/44/00/39/565440039.db2.gz ZQBKRGHAMIWQHC-OLZOCXBDSA-N 1 0 388.205 2.593 20 5 GFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000597716670 565572156 /nfs/dbraw/zinc/57/21/56/565572156.db2.gz RLBZIFBXMJJEJT-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599836222 565704811 /nfs/dbraw/zinc/70/48/11/565704811.db2.gz QFBPZVJSMXNERM-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000601292111 565774458 /nfs/dbraw/zinc/77/44/58/565774458.db2.gz KNKFOOJSEYBSNK-VXGBXAGGSA-N 1 0 383.250 2.561 20 5 GFBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609138468 566030852 /nfs/dbraw/zinc/03/08/52/566030852.db2.gz NBSKZYAQGWXOML-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736201110 599170711 /nfs/dbraw/zinc/17/07/11/599170711.db2.gz GQIGHZYNQJRSMG-ZDUSSCGKSA-N 1 0 394.439 2.807 20 5 GFBDRO C[NH+](C)CCCOc1ccc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000736768203 598674376 /nfs/dbraw/zinc/67/43/76/598674376.db2.gz XWIJBNUOXYPVRV-UHFFFAOYSA-N 1 0 397.439 2.718 20 5 GFBDRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293139 607552873 /nfs/dbraw/zinc/55/28/73/607552873.db2.gz GDAPURINONDRPI-SFHVURJKSA-N 1 0 382.424 2.719 20 5 GFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267442 606124346 /nfs/dbraw/zinc/12/43/46/606124346.db2.gz NYVZVSZVGAMCER-ZDUSSCGKSA-N 1 0 382.428 2.609 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580999 606474051 /nfs/dbraw/zinc/47/40/51/606474051.db2.gz AQSTZKOOXZLYKD-RYUDHWBXSA-N 1 0 382.428 2.608 20 5 GFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830838660 660682802 /nfs/dbraw/zinc/68/28/02/660682802.db2.gz ZXYOZPFOCDZUNM-GFCCVEGCSA-N 1 0 385.262 2.603 20 5 GFBDRO CCO[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000831707672 660721097 /nfs/dbraw/zinc/72/10/97/660721097.db2.gz KCBSEPWCFVWSNU-MRVPVSSYSA-N 1 0 382.219 2.737 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000123856445 654765215 /nfs/dbraw/zinc/76/52/15/654765215.db2.gz FWVBYSLULDJVBN-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000058561823 654819881 /nfs/dbraw/zinc/81/98/81/654819881.db2.gz DHJZYUZDDVGWRW-NSHDSACASA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940682 654953318 /nfs/dbraw/zinc/95/33/18/654953318.db2.gz RWHCHPGLQPFBNA-BXKDBHETSA-N 1 0 388.237 2.909 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272471267 655113851 /nfs/dbraw/zinc/11/38/51/655113851.db2.gz RWIPDDRJBPBJMI-IINYFYTJSA-N 1 0 383.246 2.915 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000177999828 655294592 /nfs/dbraw/zinc/29/45/92/655294592.db2.gz CUGCYKVFOIJGIG-SNVBAGLBSA-N 1 0 389.886 2.939 20 5 GFBDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119341388 655299655 /nfs/dbraw/zinc/29/96/55/655299655.db2.gz HEOXPPKHDMBKCH-UHFFFAOYSA-N 1 0 383.495 2.799 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277093830 655302824 /nfs/dbraw/zinc/30/28/24/655302824.db2.gz VOBZWJMBTXXATD-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365488642 655394440 /nfs/dbraw/zinc/39/44/40/655394440.db2.gz WZQIXIIMFVFFNV-IACUBPJLSA-N 1 0 394.269 2.914 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000752249054 655841315 /nfs/dbraw/zinc/84/13/15/655841315.db2.gz YEYCCUXLIFGOCS-LBPRGKRZSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000753807398 655858992 /nfs/dbraw/zinc/85/89/92/655858992.db2.gz GWVOBSZILQYTJW-UHFFFAOYSA-N 1 0 382.258 2.976 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000775596590 656653536 /nfs/dbraw/zinc/65/35/36/656653536.db2.gz VZXQVPBLJBCDEY-YPMHNXCESA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000788921059 657798523 /nfs/dbraw/zinc/79/85/23/657798523.db2.gz WAVCYTXQMHUGTF-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000796196017 658900596 /nfs/dbraw/zinc/90/05/96/658900596.db2.gz BOXLKQNVWFKXQG-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161547 659077307 /nfs/dbraw/zinc/07/73/07/659077307.db2.gz AVBXZYRJCDPNJU-TXEJJXNPSA-N 1 0 399.289 2.850 20 5 GFBDRO Cc1ccc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1Br ZINC000804461471 659648660 /nfs/dbraw/zinc/64/86/60/659648660.db2.gz IIZHXDXOHVCKGY-AWEZNQCLSA-N 1 0 397.317 2.882 20 5 GFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000805111573 659741848 /nfs/dbraw/zinc/74/18/48/659741848.db2.gz YWTXFNRGVWHWAS-GXFFZTMASA-N 1 0 391.852 2.635 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805112898 659741960 /nfs/dbraw/zinc/74/19/60/659741960.db2.gz FIDRGKADEZDKOZ-TZMCWYRMSA-N 1 0 387.889 2.804 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813538 659940921 /nfs/dbraw/zinc/94/09/21/659940921.db2.gz ZKEWMAFNPWXHFX-JTQLQIEISA-N 1 0 396.296 2.912 20 5 GFBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@@H+]1C ZINC000809821099 659943004 /nfs/dbraw/zinc/94/30/04/659943004.db2.gz HWZSHNXAZJOJLK-BDAKNGLRSA-N 1 0 382.269 2.663 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809823268 659944049 /nfs/dbraw/zinc/94/40/49/659944049.db2.gz KIJDIMYEQDPQFI-VHSXEESVSA-N 1 0 379.841 2.538 20 5 GFBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811502038 660010700 /nfs/dbraw/zinc/01/07/00/660010700.db2.gz HDEAFFNFTFNAQF-RNCFNFMXSA-N 1 0 396.296 2.709 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034802 660105190 /nfs/dbraw/zinc/10/51/90/660105190.db2.gz CEAICPGLJNFALJ-GHMZBOCLSA-N 1 0 393.868 2.786 20 5 GFBDRO C[NH2+][C@H](C)Cc1noc(CN(C)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000842631191 661346468 /nfs/dbraw/zinc/34/64/68/661346468.db2.gz LICWCEORIWQPGR-SECBINFHSA-N 1 0 384.234 2.527 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000842895418 661359217 /nfs/dbraw/zinc/35/92/17/661359217.db2.gz ZUGTYKVRDFDZJA-QWHCGFSZSA-N 1 0 387.889 2.567 20 5 GFBDRO [NH3+]CC1(CCNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000846183157 661536903 /nfs/dbraw/zinc/53/69/03/661536903.db2.gz PYSZVPOUUNMGFI-UHFFFAOYSA-N 1 0 397.273 2.554 20 5 GFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000846941216 661571575 /nfs/dbraw/zinc/57/15/75/661571575.db2.gz ULUOIUQXCTVDCQ-UHFFFAOYSA-N 1 0 386.290 2.682 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848509453 661658905 /nfs/dbraw/zinc/65/89/05/661658905.db2.gz VUVNSMVZXZOIKM-ZIAGYGMSSA-N 1 0 387.889 2.852 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000849411465 661718266 /nfs/dbraw/zinc/71/82/66/661718266.db2.gz KFZSCDNXTJDOOR-GFCCVEGCSA-N 1 0 389.905 2.955 20 5 GFBDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000850519082 661780584 /nfs/dbraw/zinc/78/05/84/661780584.db2.gz XJFPBTWCYIUTNT-CYBMUJFWSA-N 1 0 380.388 2.884 20 5 GFBDRO C[N@@H+]1CCCC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000858715488 662119965 /nfs/dbraw/zinc/11/99/65/662119965.db2.gz PDJYCKXHLMZGLR-LLVKDONJSA-N 1 0 377.413 2.735 20 5 GFBDRO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000864932171 662391578 /nfs/dbraw/zinc/39/15/78/662391578.db2.gz VCEAEMSYTPDHSU-LBPRGKRZSA-N 1 0 384.274 2.748 20 5 GFBDRO COC(=O)N1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000876996914 662869449 /nfs/dbraw/zinc/86/94/49/662869449.db2.gz HYMAKIKVDKEARN-QMMMGPOBSA-N 1 0 378.248 2.739 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000883148892 663050449 /nfs/dbraw/zinc/05/04/49/663050449.db2.gz NNEZTDRPOHFJNP-KBPBESRZSA-N 1 0 397.273 2.783 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478293 663055745 /nfs/dbraw/zinc/05/57/45/663055745.db2.gz BEUZWOPYPQHVDV-UHFFFAOYSA-N 1 0 394.280 2.808 20 5 GFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000896447355 663558014 /nfs/dbraw/zinc/55/80/14/663558014.db2.gz UUZVWXMEUOKTKU-LBPRGKRZSA-N 1 0 399.289 2.888 20 5 GFBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(Br)n1 ZINC000903188650 663777455 /nfs/dbraw/zinc/77/74/55/663777455.db2.gz UWAYHQIXPKDFLG-RYUDHWBXSA-N 1 0 383.250 2.561 20 5 GFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000905359160 663867584 /nfs/dbraw/zinc/86/75/84/663867584.db2.gz LMKKFYBOHOANRX-OAHLLOKOSA-N 1 0 387.889 2.647 20 5 GFBDRO C[NH+](C)CC(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000912733052 664300078 /nfs/dbraw/zinc/30/00/78/664300078.db2.gz NQWDNEMASGMSGR-UHFFFAOYSA-N 1 0 383.392 2.888 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925763628 664674581 /nfs/dbraw/zinc/67/45/81/664674581.db2.gz SUQPIKFAIZJZCZ-QLFBSQMISA-N 1 0 384.274 2.604 20 5 GFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627170 719077608 /nfs/dbraw/zinc/07/76/08/719077608.db2.gz PNEBCMCPGIPYIY-SJORKVTESA-N 1 0 383.452 2.803 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807610 720080551 /nfs/dbraw/zinc/08/05/51/720080551.db2.gz GCWDAOLVXWHTEM-HRAATJIYSA-N 1 0 397.479 2.723 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cnc2c1 ZINC001164722164 720351690 /nfs/dbraw/zinc/35/16/90/720351690.db2.gz FGXZCHJCBDSRQX-RBUKOAKNSA-N 1 0 376.420 2.786 20 5 GFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834719 720510651 /nfs/dbraw/zinc/51/06/51/720510651.db2.gz HGYPYJCBZJIUTL-BHIYHBOVSA-N 1 0 384.484 2.873 20 5 GFBDRO O=[N+]([O-])c1cccc2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc21 ZINC001164728114 720560599 /nfs/dbraw/zinc/56/05/99/720560599.db2.gz JRDMVJMIRJACSV-UHFFFAOYSA-N 1 0 392.463 2.998 20 5 GFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@H]2C1 ZINC001164853311 720843504 /nfs/dbraw/zinc/84/35/04/720843504.db2.gz OFSCHPKCOYENBW-PMACEKPBSA-N 1 0 392.503 2.957 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164866853 721047766 /nfs/dbraw/zinc/04/77/66/721047766.db2.gz GHUXRKARBGJXFA-JKSUJKDBSA-N 1 0 389.843 2.518 20 5 GFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001165009441 721741209 /nfs/dbraw/zinc/74/12/09/721741209.db2.gz DFWILPCWCQOUBU-UHFFFAOYSA-N 1 0 397.479 2.666 20 5 GFBDRO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930184 721882305 /nfs/dbraw/zinc/88/23/05/721882305.db2.gz CIPLZWVFSLCSHM-RTBURBONSA-N 1 0 396.495 2.575 20 5 GFBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc([N+](=O)[O-])c(N)n4)CC3)C2)cc1 ZINC001164939163 721927945 /nfs/dbraw/zinc/92/79/45/721927945.db2.gz JROFLRMQXQCIHZ-UHFFFAOYSA-N 1 0 397.479 2.752 20 5 GFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996251 722203767 /nfs/dbraw/zinc/20/37/67/722203767.db2.gz SFAXOIYHQGVSJT-FQEVSTJZSA-N 1 0 386.427 2.921 20 5 GFBDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121125235 551227814 /nfs/dbraw/zinc/22/78/14/551227814.db2.gz NXPREXWTHVNJJE-LBPRGKRZSA-N 1 0 383.495 2.913 20 5 GFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1(O)CCCC1 ZINC000152084981 551425907 /nfs/dbraw/zinc/42/59/07/551425907.db2.gz SKIGWFZUCATIDC-UHFFFAOYSA-N 1 0 386.246 2.533 20 5 GFBDRO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000153026535 551444767 /nfs/dbraw/zinc/44/47/67/551444767.db2.gz GKDMHNJKGVHXCU-WCQYABFASA-N 1 0 384.274 2.841 20 5 GFBDRO CC(C)C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000153168824 551447767 /nfs/dbraw/zinc/44/77/67/551447767.db2.gz WNOFKWCBRHBKFU-AWEZNQCLSA-N 1 0 386.290 2.992 20 5 GFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000154625349 551479624 /nfs/dbraw/zinc/47/96/24/551479624.db2.gz LYASSYYYURZSEP-SECBINFHSA-N 1 0 386.239 2.673 20 5 GFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)c(Cl)cc1Cl ZINC000174662260 552108011 /nfs/dbraw/zinc/10/80/11/552108011.db2.gz GIBXOADXEZGJNY-SCZZXKLOSA-N 1 0 377.203 2.949 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000182539051 552287167 /nfs/dbraw/zinc/28/71/67/552287167.db2.gz UHTYCQWPPDPOBY-LBPRGKRZSA-N 1 0 375.878 2.519 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186494071 552389283 /nfs/dbraw/zinc/38/92/83/552389283.db2.gz ZGXSQAUNGGYYFB-GFCCVEGCSA-N 1 0 382.258 2.643 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246164993 553103284 /nfs/dbraw/zinc/10/32/84/553103284.db2.gz MCMJQCIIGFPDAZ-AAEUAGOBSA-N 1 0 375.878 2.599 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247517037 553123147 /nfs/dbraw/zinc/12/31/47/553123147.db2.gz NRCFFCGFTYQHQG-SWLSCSKDSA-N 1 0 387.889 2.661 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247517020 553123275 /nfs/dbraw/zinc/12/32/75/553123275.db2.gz NRCFFCGFTYQHQG-IUODEOHRSA-N 1 0 387.889 2.661 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369540569 563216089 /nfs/dbraw/zinc/21/60/89/563216089.db2.gz ORXRPIVAFGFNCN-BLLLJJGKSA-N 1 0 381.479 2.628 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297623502 563331805 /nfs/dbraw/zinc/33/18/05/563331805.db2.gz BXPQEUFYNFYNAR-OAHLLOKOSA-N 1 0 383.246 2.917 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423968072 563365892 /nfs/dbraw/zinc/36/58/92/563365892.db2.gz HQJKVABPEYSHMJ-XJKSGUPXSA-N 1 0 396.285 2.890 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000301120414 563393229 /nfs/dbraw/zinc/39/32/29/563393229.db2.gz ZZZRLSQKLJDCBU-UHFFFAOYSA-N 1 0 387.221 2.731 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000375535545 563408875 /nfs/dbraw/zinc/40/88/75/563408875.db2.gz AGNMYJIEFVZJNU-IINYFYTJSA-N 1 0 383.246 2.915 20 5 GFBDRO C[NH+](C)[C@@H](CNc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000301988646 563418236 /nfs/dbraw/zinc/41/82/36/563418236.db2.gz NWFYWTYAYGFHHZ-ZDUSSCGKSA-N 1 0 375.210 2.952 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Cn1ccnc1 ZINC000284459339 563476124 /nfs/dbraw/zinc/47/61/24/563476124.db2.gz WLAFZJLAKUHSEZ-JTQLQIEISA-N 1 0 381.230 2.928 20 5 GFBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000289554318 563678837 /nfs/dbraw/zinc/67/88/37/563678837.db2.gz PAJUOOIGJASKES-ONGXEEELSA-N 1 0 376.194 2.714 20 5 GFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289836261 563688919 /nfs/dbraw/zinc/68/89/19/563688919.db2.gz LNSCAUWOHKNAIW-GWCFXTLKSA-N 1 0 391.852 2.635 20 5 GFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289991633 563693878 /nfs/dbraw/zinc/69/38/78/563693878.db2.gz VWFVEVCLPFQMJC-QWRGUYRKSA-N 1 0 391.852 2.635 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000290115193 563698953 /nfs/dbraw/zinc/69/89/53/563698953.db2.gz YCMDAWVBWGODNL-SNVBAGLBSA-N 1 0 376.194 2.668 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805950 563722166 /nfs/dbraw/zinc/72/21/66/563722166.db2.gz RUIYODSOSFJOLP-SKDRFNHKSA-N 1 0 396.296 2.862 20 5 GFBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000440414366 563741826 /nfs/dbraw/zinc/74/18/26/563741826.db2.gz OLFSIMSSFITIQL-PELKAZGASA-N 1 0 382.269 2.650 20 5 GFBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000365105329 563773981 /nfs/dbraw/zinc/77/39/81/563773981.db2.gz OURNCZYBDODTGT-GOEBONIOSA-N 1 0 382.258 2.630 20 5 GFBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292197120 563777931 /nfs/dbraw/zinc/77/79/31/563777931.db2.gz PDQMAGJRGFOYET-LLVKDONJSA-N 1 0 378.256 2.988 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294166027 563832110 /nfs/dbraw/zinc/83/21/10/563832110.db2.gz SGRSMSGVWBWSFK-UHFFFAOYSA-N 1 0 396.245 2.676 20 5 GFBDRO CC[NH+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000564435607 564234012 /nfs/dbraw/zinc/23/40/12/564234012.db2.gz JUKQMDSPWUDBSX-RYUDHWBXSA-N 1 0 384.274 2.841 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000564504407 564236408 /nfs/dbraw/zinc/23/64/08/564236408.db2.gz KCVIYXAEOFMVMF-NWDGAFQWSA-N 1 0 375.878 2.742 20 5 GFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000540142692 564240569 /nfs/dbraw/zinc/24/05/69/564240569.db2.gz LLQYNVSAYORSDB-ZDUSSCGKSA-N 1 0 389.543 2.773 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2cccc(Cl)c2)cc1 ZINC000564721807 564246172 /nfs/dbraw/zinc/24/61/72/564246172.db2.gz DZWOAUGQDZXMKH-UHFFFAOYSA-N 1 0 384.841 2.691 20 5 GFBDRO CC[NH+]1CCC(NCc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000567088066 564356345 /nfs/dbraw/zinc/35/63/45/564356345.db2.gz VPQUGNKCKONNCW-UHFFFAOYSA-N 1 0 389.237 2.773 20 5 GFBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567284005 564365263 /nfs/dbraw/zinc/36/52/63/564365263.db2.gz CGTYNWKYHRUUSV-LBPRGKRZSA-N 1 0 378.210 2.696 20 5 GFBDRO NC(=O)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000478940164 564419774 /nfs/dbraw/zinc/41/97/74/564419774.db2.gz PJNRMVVOVLPJLD-OAHLLOKOSA-N 1 0 393.241 2.585 20 5 GFBDRO CC[NH2+]CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000568864246 564438904 /nfs/dbraw/zinc/43/89/04/564438904.db2.gz GQWGUKWDVJEKPY-UHFFFAOYSA-N 1 0 386.239 2.817 20 5 GFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000480703514 564483202 /nfs/dbraw/zinc/48/32/02/564483202.db2.gz ZRDWPDIGOWOGHT-SNVBAGLBSA-N 1 0 383.392 2.622 20 5 GFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cc(Br)cn1 ZINC000573311218 564633131 /nfs/dbraw/zinc/63/31/31/564633131.db2.gz VBAPRDVPVYBIMP-LLVKDONJSA-N 1 0 396.245 2.561 20 5 GFBDRO C[C@H]1CC[N@H+](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307555 564698543 /nfs/dbraw/zinc/69/85/43/564698543.db2.gz VWMCLNHSPSYPNT-VIFPVBQESA-N 1 0 382.269 2.522 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575749961 564703227 /nfs/dbraw/zinc/70/32/27/564703227.db2.gz HJLVCFWQXRBDAJ-KGLIPLIRSA-N 1 0 396.285 2.748 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000554936126 564778287 /nfs/dbraw/zinc/77/82/87/564778287.db2.gz NYBVYVOBQAVOBJ-BXUZGUMPSA-N 1 0 390.221 2.792 20 5 GFBDRO CC[C@H](O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554970729 564780132 /nfs/dbraw/zinc/78/01/32/564780132.db2.gz FTXQKBQOLYXQCF-ZDUSSCGKSA-N 1 0 378.210 2.840 20 5 GFBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462289790 564831929 /nfs/dbraw/zinc/83/19/29/564831929.db2.gz BNYCGOXDPWWITJ-UHFFFAOYSA-N 1 0 396.296 2.864 20 5 GFBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635273 564855492 /nfs/dbraw/zinc/85/54/92/564855492.db2.gz UCZSQMJREGJEET-NOZJJQNGSA-N 1 0 378.210 2.696 20 5 GFBDRO C[C@@H](O)[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410076 564890465 /nfs/dbraw/zinc/89/04/65/564890465.db2.gz SBCMVKUOVSNVNU-ZYHUDNBSSA-N 1 0 390.221 2.792 20 5 GFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000498556257 564901649 /nfs/dbraw/zinc/90/16/49/564901649.db2.gz WMHIVDOOTJXEQQ-NEPJUHHUSA-N 1 0 384.274 2.841 20 5 GFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500113486 564946170 /nfs/dbraw/zinc/94/61/70/564946170.db2.gz VKSBTTFNWYFQPV-CYBMUJFWSA-N 1 0 375.878 2.791 20 5 GFBDRO CS[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000614977804 565140013 /nfs/dbraw/zinc/14/00/13/565140013.db2.gz LFDUJVTUQNYRPO-STQMWFEESA-N 1 0 387.303 2.768 20 5 GFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)(F)F ZINC000589161955 565153716 /nfs/dbraw/zinc/15/37/16/565153716.db2.gz BYOWVYUMNPVMJO-STQMWFEESA-N 1 0 383.754 2.724 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595412688 565475035 /nfs/dbraw/zinc/47/50/35/565475035.db2.gz RTCIMAQEOWFVGN-UHFFFAOYSA-N 1 0 387.889 2.649 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000599543213 565688251 /nfs/dbraw/zinc/68/82/51/565688251.db2.gz MXEXECCQDOILQV-GFCCVEGCSA-N 1 0 382.258 2.915 20 5 GFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609353174 566036747 /nfs/dbraw/zinc/03/67/47/566036747.db2.gz PMYIEVPIQWRETK-TXEJJXNPSA-N 1 0 375.878 2.789 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269416 598869807 /nfs/dbraw/zinc/86/98/07/598869807.db2.gz WRWOJEHSVQHBCN-HUUCEWRRSA-N 1 0 385.472 2.866 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369588 598673702 /nfs/dbraw/zinc/67/37/02/598673702.db2.gz JPZXJUHNSQFYQQ-OAHLLOKOSA-N 1 0 385.472 2.867 20 5 GFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820225584 607084078 /nfs/dbraw/zinc/08/40/78/607084078.db2.gz LZJRMNSGLGDVOL-QWHCGFSZSA-N 1 0 395.423 2.843 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826272335 608468127 /nfs/dbraw/zinc/46/81/27/608468127.db2.gz DUUQQXJLUFGLET-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826499071 608520776 /nfs/dbraw/zinc/52/07/76/608520776.db2.gz UUYJJNQDKSWCAU-SFHVURJKSA-N 1 0 380.408 2.821 20 5 GFBDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826283724 608553999 /nfs/dbraw/zinc/55/39/99/608553999.db2.gz YRQVXHYBLTUCSF-NSHDSACASA-N 1 0 399.411 2.582 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000124131431 654771475 /nfs/dbraw/zinc/77/14/75/654771475.db2.gz LYCXBUGZQUXANW-GFCCVEGCSA-N 1 0 375.878 2.519 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000064244566 654864893 /nfs/dbraw/zinc/86/48/93/654864893.db2.gz MFMCSFBTQFCBNG-UHFFFAOYSA-N 1 0 381.479 2.731 20 5 GFBDRO NC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000105401694 655092513 /nfs/dbraw/zinc/09/25/13/655092513.db2.gz QWMKBTFFLNYBAF-OAHLLOKOSA-N 1 0 378.226 2.716 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000272501107 655115020 /nfs/dbraw/zinc/11/50/20/655115020.db2.gz LHZDBSXMRRBXCZ-LLVKDONJSA-N 1 0 375.878 2.599 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000273147736 655132154 /nfs/dbraw/zinc/13/21/54/655132154.db2.gz WJOFMIABSDOBIJ-HZPDHXFCSA-N 1 0 381.226 2.714 20 5 GFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000113354572 655208507 /nfs/dbraw/zinc/20/85/07/655208507.db2.gz MVFLYUGEWRPFJI-UHFFFAOYSA-N 1 0 378.226 2.877 20 5 GFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000576889476 655454078 /nfs/dbraw/zinc/45/40/78/655454078.db2.gz NLYTWFMLHMEAQM-JTQLQIEISA-N 1 0 375.210 2.587 20 5 GFBDRO C[C@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])cc1Br)CC[NH2+]CC2 ZINC000580183293 655509479 /nfs/dbraw/zinc/50/94/79/655509479.db2.gz BLRXDPVVDIRTQT-NSHDSACASA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000759141125 655948968 /nfs/dbraw/zinc/94/89/68/655948968.db2.gz PNIZSMKEOINLHP-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000769905894 656299456 /nfs/dbraw/zinc/29/94/56/656299456.db2.gz JROVXIFKIKTVAP-VXGBXAGGSA-N 1 0 375.878 2.708 20 5 GFBDRO CC[NH+](CC)CCOC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000772230613 656375519 /nfs/dbraw/zinc/37/55/19/656375519.db2.gz IHUIRBNIPXTUDU-UHFFFAOYSA-N 1 0 392.193 2.698 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000772951107 656395181 /nfs/dbraw/zinc/39/51/81/656395181.db2.gz VLDPUPMYARBSTM-ZDUSSCGKSA-N 1 0 389.905 2.895 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000782082421 657101876 /nfs/dbraw/zinc/10/18/76/657101876.db2.gz DJFULGDGYNUSTP-JKSUJKDBSA-N 1 0 381.226 2.714 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795811620 658853993 /nfs/dbraw/zinc/85/39/93/658853993.db2.gz WFFWMZHDOSIVCE-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545969 659588328 /nfs/dbraw/zinc/58/83/28/659588328.db2.gz UIZMXWGUNUSMOD-HNNXBMFYSA-N 1 0 382.258 2.726 20 5 GFBDRO CC[NH+](CC)CCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809385735 659925223 /nfs/dbraw/zinc/92/52/23/659925223.db2.gz MJUCIHQFZVHVRF-UHFFFAOYSA-N 1 0 384.285 2.912 20 5 GFBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809826043 659944644 /nfs/dbraw/zinc/94/46/44/659944644.db2.gz SHLAIIMHQPQRQF-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000809835584 659947155 /nfs/dbraw/zinc/94/71/55/659947155.db2.gz KNXDCBFFMLGVEF-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834851 659947269 /nfs/dbraw/zinc/94/72/69/659947269.db2.gz GTNSDXBSYSWUMK-SECBINFHSA-N 1 0 382.269 2.664 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034803 660105052 /nfs/dbraw/zinc/10/50/52/660105052.db2.gz CEAICPGLJNFALJ-MNOVXSKESA-N 1 0 393.868 2.786 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843097395 661367715 /nfs/dbraw/zinc/36/77/15/661367715.db2.gz YVUJCZGFPLTWLO-HOTGVXAUSA-N 1 0 381.226 2.714 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843113579 661369250 /nfs/dbraw/zinc/36/92/50/661369250.db2.gz XTVVZQBMWSXGEP-HZPDHXFCSA-N 1 0 381.226 2.714 20 5 GFBDRO C[NH+](C)CCC[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000852761243 661873637 /nfs/dbraw/zinc/87/36/37/661873637.db2.gz SMRBKIKLWQVTHH-AWEZNQCLSA-N 1 0 386.290 2.900 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000864962123 662392634 /nfs/dbraw/zinc/39/26/34/662392634.db2.gz IJMQKRXRTJYIBI-GFCCVEGCSA-N 1 0 382.258 2.500 20 5 GFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868335048 662602185 /nfs/dbraw/zinc/60/21/85/662602185.db2.gz BWAMDFZIXSQMKD-IUODEOHRSA-N 1 0 396.285 2.985 20 5 GFBDRO CN1CC[NH+](C2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000877747681 662882789 /nfs/dbraw/zinc/88/27/89/662882789.db2.gz XPHCVKREDDNXKR-UHFFFAOYSA-N 1 0 397.317 2.569 20 5 GFBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881952652 663010763 /nfs/dbraw/zinc/01/07/63/663010763.db2.gz PFZDVXGZLCLYGS-JTQLQIEISA-N 1 0 375.242 2.544 20 5 GFBDRO C[C@@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000883601108 663057674 /nfs/dbraw/zinc/05/76/74/663057674.db2.gz QUTTXGBITHPKAL-LLVKDONJSA-N 1 0 397.273 2.807 20 5 GFBDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889722279 663260572 /nfs/dbraw/zinc/26/05/72/663260572.db2.gz VEWIWODGUINVIB-UHFFFAOYSA-N 1 0 387.278 2.841 20 5 GFBDRO O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897694808 663616199 /nfs/dbraw/zinc/61/61/99/663616199.db2.gz QCMODPXSULWDOV-KRWDZBQOSA-N 1 0 394.269 2.728 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933769820 664877658 /nfs/dbraw/zinc/87/76/58/664877658.db2.gz BEMKIGLXKQIVJZ-LLVKDONJSA-N 1 0 399.289 2.743 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)CC1 ZINC001164613754 719021180 /nfs/dbraw/zinc/02/11/80/719021180.db2.gz CEDCHRSUQOYCSR-UHFFFAOYSA-N 1 0 376.457 2.542 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)CC1 ZINC001164614453 719021317 /nfs/dbraw/zinc/02/13/17/719021317.db2.gz SYNCDDKZUDBUJT-UHFFFAOYSA-N 1 0 376.457 2.542 20 5 GFBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001164728174 720513715 /nfs/dbraw/zinc/51/37/15/720513715.db2.gz JUTBLGFBOONWHO-JTQLQIEISA-N 1 0 385.255 2.691 20 5 GFBDRO c1cnc2c(c1)ccc1ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742357 720653883 /nfs/dbraw/zinc/65/38/83/720653883.db2.gz MZZCZBPOSMLTFY-OALUTQOASA-N 1 0 398.470 2.915 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871464 721075307 /nfs/dbraw/zinc/07/53/07/721075307.db2.gz YYSXCMJTKVCCFO-HOTGVXAUSA-N 1 0 389.843 2.518 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164767334 721109182 /nfs/dbraw/zinc/10/91/82/721109182.db2.gz MWWSSXLKWRUPDS-CABCVRRESA-N 1 0 390.875 2.643 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164761879 721241656 /nfs/dbraw/zinc/24/16/56/721241656.db2.gz JRUBCWSMFKXZFJ-QZTJIDSGSA-N 1 0 392.463 2.835 20 5 GFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899722 721510925 /nfs/dbraw/zinc/51/09/25/721510925.db2.gz LYGFRUVHIBGWSJ-JSGCOSHPSA-N 1 0 393.806 2.519 20 5 GFBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024804 721809633 /nfs/dbraw/zinc/80/96/33/721809633.db2.gz KQBRNPXKYWAJFP-CGTJXYLNSA-N 1 0 382.468 2.825 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001165024769 721816106 /nfs/dbraw/zinc/81/61/06/721816106.db2.gz KOUXLXASQGYPPN-HYVNUMGLSA-N 1 0 382.468 2.704 20 5 GFBDRO CNC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000053554997 206208465 /nfs/dbraw/zinc/20/84/65/206208465.db2.gz NDDHENCMSHWBDC-UHFFFAOYSA-N 1 0 398.463 2.675 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333510 551186396 /nfs/dbraw/zinc/18/63/96/551186396.db2.gz MEABBCTXSNDARG-STQMWFEESA-N 1 0 375.516 2.693 20 5 GFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151738551 551420362 /nfs/dbraw/zinc/42/03/62/551420362.db2.gz NFWRHEYBNIDKAD-CQSZACIVSA-N 1 0 384.274 2.843 20 5 GFBDRO C[N@@H+](CCc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159812786 551571632 /nfs/dbraw/zinc/57/16/32/551571632.db2.gz KFGLDYLCNVKRBT-UHFFFAOYSA-N 1 0 380.242 2.694 20 5 GFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000175394123 552120819 /nfs/dbraw/zinc/12/08/19/552120819.db2.gz ZUYNTEPHKJZXNI-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000176793101 552145807 /nfs/dbraw/zinc/14/58/07/552145807.db2.gz ZDZXKDDMNUCRDO-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000180174561 552216251 /nfs/dbraw/zinc/21/62/51/552216251.db2.gz YZSXWJWDMCCCFF-OLZOCXBDSA-N 1 0 387.889 2.661 20 5 GFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188263791 552440886 /nfs/dbraw/zinc/44/08/86/552440886.db2.gz DVSZICPUQBFGLM-UHFFFAOYSA-N 1 0 375.878 2.745 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000190426593 552495727 /nfs/dbraw/zinc/49/57/27/552495727.db2.gz BINKVOJYPRBBPE-YPMHNXCESA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000245681097 553094960 /nfs/dbraw/zinc/09/49/60/553094960.db2.gz KKWAVDSSWDFQTL-IAQYHMDHSA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369539352 563215983 /nfs/dbraw/zinc/21/59/83/563215983.db2.gz IAPKAXXKRVGUHP-WBMJQRKESA-N 1 0 381.479 2.628 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000374846506 563384158 /nfs/dbraw/zinc/38/41/58/563384158.db2.gz OVGBRWFRTWCNLI-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301214506 563396408 /nfs/dbraw/zinc/39/64/08/563396408.db2.gz ZCWGJDFUMJVEJG-OAHLLOKOSA-N 1 0 397.317 2.964 20 5 GFBDRO COc1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c([N+](=O)[O-])cc1O ZINC000282607813 563417908 /nfs/dbraw/zinc/41/79/08/563417908.db2.gz DNMDFLNMCSXLIK-OAHLLOKOSA-N 1 0 397.225 2.895 20 5 GFBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000375963487 563424702 /nfs/dbraw/zinc/42/47/02/563424702.db2.gz KGAPMECMCRBANL-MRXNPFEDSA-N 1 0 390.237 2.974 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@H]21 ZINC000376729789 563452286 /nfs/dbraw/zinc/45/22/86/563452286.db2.gz STWQBZUJRSBWNJ-NOZJJQNGSA-N 1 0 386.221 2.663 20 5 GFBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000327456909 563458513 /nfs/dbraw/zinc/45/85/13/563458513.db2.gz VQPLNGCNTANFGX-NSHDSACASA-N 1 0 381.841 2.890 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330923774 563527325 /nfs/dbraw/zinc/52/73/25/563527325.db2.gz SQESCCBONZIEOF-LBPRGKRZSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332601868 563606530 /nfs/dbraw/zinc/60/65/30/563606530.db2.gz DBCKHSLDAFCTPC-PWSUYJOCSA-N 1 0 383.246 2.881 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332601861 563606734 /nfs/dbraw/zinc/60/67/34/563606734.db2.gz DBCKHSLDAFCTPC-CMPLNLGQSA-N 1 0 383.246 2.881 20 5 GFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000433879093 563622442 /nfs/dbraw/zinc/62/24/42/563622442.db2.gz KGQRCFRLXXZAIK-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000435226797 563646248 /nfs/dbraw/zinc/64/62/48/563646248.db2.gz OAAUTBRUYDUWNU-SNVBAGLBSA-N 1 0 382.269 2.616 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCOCC2)c1 ZINC000289517842 563677177 /nfs/dbraw/zinc/67/71/77/563677177.db2.gz NPJYLCHPGWDHKB-GFCCVEGCSA-N 1 0 376.194 2.858 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367885589 563858277 /nfs/dbraw/zinc/85/82/77/563858277.db2.gz MFZRDXJXOMUINN-DOMZBBRYSA-N 1 0 387.889 2.709 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000539044865 564208820 /nfs/dbraw/zinc/20/88/20/564208820.db2.gz XONLDTHTXWOFNC-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000564497024 564235771 /nfs/dbraw/zinc/23/57/71/564235771.db2.gz OPPGKQWLTJELHG-LBPRGKRZSA-N 1 0 398.204 2.501 20 5 GFBDRO C[C@@H]1CC2(CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000568500130 564420981 /nfs/dbraw/zinc/42/09/81/564420981.db2.gz FSVVSRQJYQLKBK-LLVKDONJSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@@]1(O)CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568495876 564421106 /nfs/dbraw/zinc/42/11/06/564421106.db2.gz IIGTXJLLLZJRPG-CQSZACIVSA-N 1 0 390.221 2.936 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(Br)cs1 ZINC000568928054 564440739 /nfs/dbraw/zinc/44/07/39/564440739.db2.gz LOZIDVJFXRXROI-NSHDSACASA-N 1 0 387.255 2.948 20 5 GFBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000515739898 564486995 /nfs/dbraw/zinc/48/69/95/564486995.db2.gz IQOWFZJIVUTFCF-GFCCVEGCSA-N 1 0 387.889 2.743 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000480764217 564487320 /nfs/dbraw/zinc/48/73/20/564487320.db2.gz YDCGQCLBPGCERJ-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO Cc1cc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)on1 ZINC000571572031 564557227 /nfs/dbraw/zinc/55/72/27/564557227.db2.gz SKXHXCSJUBIKNS-UHFFFAOYSA-N 1 0 387.177 2.828 20 5 GFBDRO C[N@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000519488971 564578807 /nfs/dbraw/zinc/57/88/07/564578807.db2.gz XFIIHZRUMCJCGN-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1cnc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)nc1 ZINC000575370954 564697608 /nfs/dbraw/zinc/69/76/08/564697608.db2.gz UOPDHPZDGSXHHK-UHFFFAOYSA-N 1 0 398.204 2.630 20 5 GFBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000489345930 564736759 /nfs/dbraw/zinc/73/67/59/564736759.db2.gz GTCZHADNZUMIJI-HNNXBMFYSA-N 1 0 384.274 2.698 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000498053880 564887224 /nfs/dbraw/zinc/88/72/24/564887224.db2.gz FXRYAVJJFSYJLQ-LBPRGKRZSA-N 1 0 384.274 2.748 20 5 GFBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037951 565016483 /nfs/dbraw/zinc/01/64/83/565016483.db2.gz FTHDXAFGFNIFOA-KBPBESRZSA-N 1 0 390.221 2.840 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000584715034 565093226 /nfs/dbraw/zinc/09/32/26/565093226.db2.gz BYYCNJCPLDROOK-HNNXBMFYSA-N 1 0 381.226 2.887 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000588013673 565123963 /nfs/dbraw/zinc/12/39/63/565123963.db2.gz MLKJDCLDNJRMKV-UHFFFAOYSA-N 1 0 390.267 2.565 20 5 GFBDRO CC[C@](C)(CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315662 565161020 /nfs/dbraw/zinc/16/10/20/565161020.db2.gz NLPCPDNQZROWBE-CYBMUJFWSA-N 1 0 378.210 2.840 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591894668 565243296 /nfs/dbraw/zinc/24/32/96/565243296.db2.gz WMXBMEVCXKGQSU-FZMZJTMJSA-N 1 0 382.258 2.962 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597923773 565581734 /nfs/dbraw/zinc/58/17/34/565581734.db2.gz PKALCDGHVAGBSM-LBPRGKRZSA-N 1 0 384.274 2.889 20 5 GFBDRO CCC1([NH+]2CCOCC2)CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000599184019 565659950 /nfs/dbraw/zinc/65/99/50/565659950.db2.gz VVTWVCYDCMSJNQ-UHFFFAOYSA-N 1 0 399.289 2.834 20 5 GFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599976969 565709153 /nfs/dbraw/zinc/70/91/53/565709153.db2.gz FNHBGHQLGZZADA-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000601429144 565784372 /nfs/dbraw/zinc/78/43/72/565784372.db2.gz SVJVGXSRXPSFOV-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601556179 565791284 /nfs/dbraw/zinc/79/12/84/565791284.db2.gz KCURXINSAFAJLI-WFASDCNBSA-N 1 0 382.258 2.500 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000602432668 565847553 /nfs/dbraw/zinc/84/75/53/565847553.db2.gz JFJBOQYETSTYRQ-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000602801972 565869389 /nfs/dbraw/zinc/86/93/89/565869389.db2.gz WDSCOKDUWCYQNS-CQSZACIVSA-N 1 0 383.246 2.528 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000610268106 566074025 /nfs/dbraw/zinc/07/40/25/566074025.db2.gz ZJTVGUDDJDUFJR-AWEZNQCLSA-N 1 0 381.479 2.551 20 5 GFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727450 599109393 /nfs/dbraw/zinc/10/93/93/599109393.db2.gz MBAZORAFODWXFM-HNNXBMFYSA-N 1 0 393.451 2.876 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000738358228 598765794 /nfs/dbraw/zinc/76/57/94/598765794.db2.gz BWQPSHQHUOFQFQ-UHFFFAOYSA-N 1 0 394.435 2.861 20 5 GFBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821198389 599327109 /nfs/dbraw/zinc/32/71/09/599327109.db2.gz SZCVSRVYICHHFW-UHFFFAOYSA-N 1 0 382.428 2.624 20 5 GFBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668773 606875342 /nfs/dbraw/zinc/87/53/42/606875342.db2.gz WELBVAPBBAEXTQ-UKRRQHHQSA-N 1 0 379.424 2.850 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499342 608466738 /nfs/dbraw/zinc/46/67/38/608466738.db2.gz FFQMUESDQSPHNQ-LJQANCHMSA-N 1 0 392.419 2.598 20 5 GFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499474 608466856 /nfs/dbraw/zinc/46/68/56/608466856.db2.gz JZDSZVXATOJGDX-UHFFFAOYSA-N 1 0 392.419 2.943 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1Cl ZINC000830435458 660656769 /nfs/dbraw/zinc/65/67/69/660656769.db2.gz TZNIHETXSWPZMU-SNVBAGLBSA-N 1 0 394.280 2.664 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(Cl)c1 ZINC000069124367 654973980 /nfs/dbraw/zinc/97/39/80/654973980.db2.gz PKPFHLSWBKVEIU-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000069137363 654974544 /nfs/dbraw/zinc/97/45/44/654974544.db2.gz WLFFQWVXSAKAIM-GFCCVEGCSA-N 1 0 375.878 2.567 20 5 GFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000272584007 655116723 /nfs/dbraw/zinc/11/67/23/655116723.db2.gz GZAJIXQOXNAJBA-LLVKDONJSA-N 1 0 383.857 2.789 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000109389537 655145977 /nfs/dbraw/zinc/14/59/77/655145977.db2.gz OJNQWOXYKAYULK-GFCCVEGCSA-N 1 0 375.878 2.647 20 5 GFBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728525 655253987 /nfs/dbraw/zinc/25/39/87/655253987.db2.gz DMQPSMOBYOSLRG-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO Cc1c(Br)cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000120558842 655339084 /nfs/dbraw/zinc/33/90/84/655339084.db2.gz VUTCACJHTKRSDL-UHFFFAOYSA-N 1 0 396.245 2.676 20 5 GFBDRO C[N@@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000226935895 655422731 /nfs/dbraw/zinc/42/27/31/655422731.db2.gz PFTVZJINFWZQSR-CQSZACIVSA-N 1 0 380.246 2.500 20 5 GFBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000575931131 655440248 /nfs/dbraw/zinc/44/02/48/655440248.db2.gz SNIZYURFQBBACU-GFCCVEGCSA-N 1 0 387.889 2.743 20 5 GFBDRO COCC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000577051893 655456556 /nfs/dbraw/zinc/45/65/56/655456556.db2.gz WHNGIHIFFGOVOB-UHFFFAOYSA-N 1 0 376.194 2.810 20 5 GFBDRO CC(C)c1nc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000578232315 655474500 /nfs/dbraw/zinc/47/45/00/655474500.db2.gz ORCMDKLIXWGNEG-UHFFFAOYSA-N 1 0 383.495 2.781 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000740893718 655700388 /nfs/dbraw/zinc/70/03/88/655700388.db2.gz BSWAOAOUZUOSSU-AAEUAGOBSA-N 1 0 375.878 2.742 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754994526 655878074 /nfs/dbraw/zinc/87/80/74/655878074.db2.gz QJNPNQWAXDQYKW-JTQLQIEISA-N 1 0 388.237 2.958 20 5 GFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000778001204 656850783 /nfs/dbraw/zinc/85/07/83/656850783.db2.gz QKKNHTRQOBPTOM-HNNXBMFYSA-N 1 0 375.466 2.687 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000779876853 656952381 /nfs/dbraw/zinc/95/23/81/656952381.db2.gz BFBGOGBFSGEIGZ-ZDUSSCGKSA-N 1 0 389.905 2.957 20 5 GFBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000783724976 657254530 /nfs/dbraw/zinc/25/45/30/657254530.db2.gz ZNAURHWSHYVKRX-GFCCVEGCSA-N 1 0 386.290 2.634 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000795829409 658855939 /nfs/dbraw/zinc/85/59/39/658855939.db2.gz PLTLJBLOZFXLTH-LLVKDONJSA-N 1 0 391.852 2.636 20 5 GFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796092442 658889364 /nfs/dbraw/zinc/88/93/64/658889364.db2.gz HMFCNQKOBRZWRC-UHFFFAOYSA-N 1 0 393.868 2.884 20 5 GFBDRO CC1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000798162172 659077437 /nfs/dbraw/zinc/07/74/37/659077437.db2.gz SCDZNQIILSVETO-UHFFFAOYSA-N 1 0 399.289 2.994 20 5 GFBDRO Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1Br ZINC000804429556 659645963 /nfs/dbraw/zinc/64/59/63/659645963.db2.gz LWPFRKNPUCGTDM-OCCSQVGLSA-N 1 0 384.274 2.701 20 5 GFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809735060 659937839 /nfs/dbraw/zinc/93/78/39/659937839.db2.gz WHMGFMUYIDCRGR-UHFFFAOYSA-N 1 0 399.333 2.815 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1Cl ZINC000815070699 660109458 /nfs/dbraw/zinc/10/94/58/660109458.db2.gz YYTHMDWKYOKBBX-UHFFFAOYSA-N 1 0 393.868 2.932 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000843454081 661381996 /nfs/dbraw/zinc/38/19/96/661381996.db2.gz JMANMKQENNRDEH-KPXOXKRLSA-N 1 0 386.221 2.696 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000851894392 661843860 /nfs/dbraw/zinc/84/38/60/661843860.db2.gz CGFRXZLVQQOAOX-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO C[NH+](C)[C@H]1CCc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000857901169 662094302 /nfs/dbraw/zinc/09/43/02/662094302.db2.gz HQZUSFJLLLBLPH-ZDUSSCGKSA-N 1 0 381.479 2.728 20 5 GFBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866048976 662458476 /nfs/dbraw/zinc/45/84/76/662458476.db2.gz DQYWDQLUGJPTCV-YPMHNXCESA-N 1 0 384.274 2.841 20 5 GFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000867631750 662564475 /nfs/dbraw/zinc/56/44/75/662564475.db2.gz QMOYIHQGHMOJRO-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000872031942 662754367 /nfs/dbraw/zinc/75/43/67/662754367.db2.gz VTFWPBSAZYMWLY-LBPRGKRZSA-N 1 0 387.527 2.639 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874833451 662837774 /nfs/dbraw/zinc/83/77/74/662837774.db2.gz NBGVBAMHFFSCFH-KBPBESRZSA-N 1 0 382.258 2.974 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883134193 663050114 /nfs/dbraw/zinc/05/01/14/663050114.db2.gz REYHXHGHQQFXCN-ZIAGYGMSSA-N 1 0 397.273 2.783 20 5 GFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894297896 663453027 /nfs/dbraw/zinc/45/30/27/663453027.db2.gz GMZPATYEKMIHER-UHFFFAOYSA-N 1 0 382.873 2.874 20 5 GFBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CS(C)(=O)=O ZINC000896868596 663580159 /nfs/dbraw/zinc/58/01/59/663580159.db2.gz NKAAGGJDZOCZCP-UHFFFAOYSA-N 1 0 385.305 2.579 20 5 GFBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000907852795 664065665 /nfs/dbraw/zinc/06/56/65/664065665.db2.gz DQQIJTJTJNWEIJ-UHFFFAOYSA-N 1 0 394.280 2.760 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000915224006 664424334 /nfs/dbraw/zinc/42/43/34/664424334.db2.gz YSUQFOIKOKWOME-AWEZNQCLSA-N 1 0 384.274 2.654 20 5 GFBDRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000933437681 664864033 /nfs/dbraw/zinc/86/40/33/664864033.db2.gz BQRLIXNWOQACRK-INIZCTEOSA-N 1 0 380.242 2.836 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807615 720082447 /nfs/dbraw/zinc/08/24/47/720082447.db2.gz GCWDAOLVXWHTEM-IIBYNOLFSA-N 1 0 397.479 2.723 20 5 GFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834722 720510493 /nfs/dbraw/zinc/51/04/93/720510493.db2.gz HGYPYJCBZJIUTL-YTQUADARSA-N 1 0 384.484 2.873 20 5 GFBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]2C1 ZINC001164853323 720843493 /nfs/dbraw/zinc/84/34/93/720843493.db2.gz OFSCHPKCOYENBW-WOJBJXKFSA-N 1 0 392.503 2.957 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871468 721075770 /nfs/dbraw/zinc/07/57/70/721075770.db2.gz YYSXCMJTKVCCFO-JKSUJKDBSA-N 1 0 389.843 2.518 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@H]3C2)cn1 ZINC001164762111 721117029 /nfs/dbraw/zinc/11/70/29/721117029.db2.gz BYAMSYIXXAHPNX-IAGOWNOFSA-N 1 0 392.463 2.835 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164763233 721183214 /nfs/dbraw/zinc/18/32/14/721183214.db2.gz DUEDFZDBPZUBJK-ZWKOTPCHSA-N 1 0 392.463 2.835 20 5 GFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955056 722012619 /nfs/dbraw/zinc/01/26/19/722012619.db2.gz SBLSJVQFASMYDO-UHFFFAOYSA-N 1 0 388.859 2.926 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000146246039 551397353 /nfs/dbraw/zinc/39/73/53/551397353.db2.gz AMUJTDULLAKEHY-ZDUSSCGKSA-N 1 0 387.889 2.806 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000159810145 551571489 /nfs/dbraw/zinc/57/14/89/551571489.db2.gz HICXZDWTTSLBHK-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000173631534 552089457 /nfs/dbraw/zinc/08/94/57/552089457.db2.gz MLGLRQCSLNBKPK-CYBMUJFWSA-N 1 0 387.889 2.745 20 5 GFBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000176792784 552145668 /nfs/dbraw/zinc/14/56/68/552145668.db2.gz BLGLVTICIALKBP-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000193972039 553008280 /nfs/dbraw/zinc/00/82/80/553008280.db2.gz QBCBLIOCYRZBFF-UHFFFAOYSA-N 1 0 375.878 2.789 20 5 GFBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236802084 553071499 /nfs/dbraw/zinc/07/14/99/553071499.db2.gz VWGHRHYYNQPAHM-LBPRGKRZSA-N 1 0 383.392 2.608 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246178783 553104122 /nfs/dbraw/zinc/10/41/22/553104122.db2.gz NDQINJMZJKLJSC-JQWIXIFHSA-N 1 0 375.878 2.660 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246370528 553107284 /nfs/dbraw/zinc/10/72/84/553107284.db2.gz LQABRIXGWWFRLF-ZIAGYGMSSA-N 1 0 387.527 2.931 20 5 GFBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296463553 563288402 /nfs/dbraw/zinc/28/84/02/563288402.db2.gz XKSPAXXSDPTFQF-VIFPVBQESA-N 1 0 382.269 2.616 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301305363 563399923 /nfs/dbraw/zinc/39/99/23/563399923.db2.gz UGFPWYFCULNPEO-AWEZNQCLSA-N 1 0 383.290 2.574 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000375537947 563408751 /nfs/dbraw/zinc/40/87/51/563408751.db2.gz VOAVQEXADLUERR-YGRLFVJLSA-N 1 0 383.246 2.915 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375535547 563409078 /nfs/dbraw/zinc/40/90/78/563409078.db2.gz AGNMYJIEFVZJNU-YGRLFVJLSA-N 1 0 383.246 2.915 20 5 GFBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302275853 563424305 /nfs/dbraw/zinc/42/43/05/563424305.db2.gz IVIMRXKIFPPILZ-CQSZACIVSA-N 1 0 387.267 2.644 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322402296 563450183 /nfs/dbraw/zinc/45/01/83/563450183.db2.gz VKYUEWPVOIOSHO-ABAIWWIYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225511 563499109 /nfs/dbraw/zinc/49/91/09/563499109.db2.gz LGWHUCBMTDWBHD-TZMCWYRMSA-N 1 0 387.889 2.709 20 5 GFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)sc2C1 ZINC000288529005 563646565 /nfs/dbraw/zinc/64/65/65/563646565.db2.gz DHGBEGPDBOQGFM-ZETCQYMHSA-N 1 0 397.254 2.882 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290589802 563714771 /nfs/dbraw/zinc/71/47/71/563714771.db2.gz OKRSEQHYTPWYMI-GFCCVEGCSA-N 1 0 382.258 2.819 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077893 563735670 /nfs/dbraw/zinc/73/56/70/563735670.db2.gz KTXFBOJUNPAUMT-RYUDHWBXSA-N 1 0 375.878 2.647 20 5 GFBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292374474 563784315 /nfs/dbraw/zinc/78/43/15/563784315.db2.gz ZIAJXHASEGGZRW-LBPRGKRZSA-N 1 0 390.267 2.868 20 5 GFBDRO CC[N@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000416475625 563835214 /nfs/dbraw/zinc/83/52/14/563835214.db2.gz VCPKPOHTSQXXOC-UHFFFAOYSA-N 1 0 383.392 2.622 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000507970985 564250003 /nfs/dbraw/zinc/25/00/03/564250003.db2.gz CDRHAIKXOKMCNX-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO Cc1c(Br)c(N2CCC(C[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000542519980 564317427 /nfs/dbraw/zinc/31/74/27/564317427.db2.gz BSBFCXZQZGKWPY-UHFFFAOYSA-N 1 0 399.289 2.609 20 5 GFBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476620974 564348250 /nfs/dbraw/zinc/34/82/50/564348250.db2.gz XNZWDRRUMSUQOV-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cccc(Br)c1 ZINC000567493509 564374476 /nfs/dbraw/zinc/37/44/76/564374476.db2.gz DAPRZYJDICFDJC-HNNXBMFYSA-N 1 0 395.253 2.929 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2ccccc2Cl)cc1 ZINC000567689938 564383159 /nfs/dbraw/zinc/38/31/59/564383159.db2.gz UHUUGFZULAGOON-UHFFFAOYSA-N 1 0 384.841 2.691 20 5 GFBDRO NC(=O)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478779020 564415563 /nfs/dbraw/zinc/41/55/63/564415563.db2.gz VWECPTMIZFBHBO-HNNXBMFYSA-N 1 0 378.226 2.716 20 5 GFBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000480177916 564462625 /nfs/dbraw/zinc/46/26/25/564462625.db2.gz HRIVXIAJKAYBRB-NSHDSACASA-N 1 0 383.392 2.584 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515733936 564486401 /nfs/dbraw/zinc/48/64/01/564486401.db2.gz AUDKWLBKNCEWCB-NSHDSACASA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000515757733 564486867 /nfs/dbraw/zinc/48/68/67/564486867.db2.gz SARGYVVTNGIHTL-GFCCVEGCSA-N 1 0 389.905 2.957 20 5 GFBDRO Cc1ccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2c1 ZINC000515906864 564489524 /nfs/dbraw/zinc/48/95/24/564489524.db2.gz OCEYHTNCOQIDSE-UHFFFAOYSA-N 1 0 380.813 2.683 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000518658882 564559844 /nfs/dbraw/zinc/55/98/44/564559844.db2.gz ZERAGMALEPVPRU-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000571927356 564572607 /nfs/dbraw/zinc/57/26/07/564572607.db2.gz ABUYMSKBXCRYOR-FZMZJTMJSA-N 1 0 390.221 2.840 20 5 GFBDRO Cc1c(Br)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000571923473 564572642 /nfs/dbraw/zinc/57/26/42/564572642.db2.gz IKSILRVJVXNERN-LBPRGKRZSA-N 1 0 399.289 2.974 20 5 GFBDRO CN1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000520974063 564616691 /nfs/dbraw/zinc/61/66/91/564616691.db2.gz QMMSNIHNHSCUOV-JTQLQIEISA-N 1 0 394.225 2.938 20 5 GFBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000521644033 564632915 /nfs/dbraw/zinc/63/29/15/564632915.db2.gz VXKDGLXEGZYDOW-UHFFFAOYSA-N 1 0 394.280 2.794 20 5 GFBDRO C[NH+](C)CCOc1cnccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000576545524 564715415 /nfs/dbraw/zinc/71/54/15/564715415.db2.gz QKMVTHHTDBGNJY-UHFFFAOYSA-N 1 0 396.245 2.700 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490026834 564760295 /nfs/dbraw/zinc/76/02/95/564760295.db2.gz AQZNJWYWYGWIFN-CQSZACIVSA-N 1 0 394.280 2.666 20 5 GFBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583291618 564885618 /nfs/dbraw/zinc/88/56/18/564885618.db2.gz XLWOFTDSJGVZMX-NSHDSACASA-N 1 0 389.237 2.583 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cs1 ZINC000466384424 564939516 /nfs/dbraw/zinc/93/95/16/564939516.db2.gz SWHRAAJEWQKPJH-UHFFFAOYSA-N 1 0 389.886 2.768 20 5 GFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037953 565016289 /nfs/dbraw/zinc/01/62/89/565016289.db2.gz FTHDXAFGFNIFOA-UONOGXRCSA-N 1 0 390.221 2.840 20 5 GFBDRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584464666 565081260 /nfs/dbraw/zinc/08/12/60/565081260.db2.gz CSVSUGKUIHSHSS-UKRRQHHQSA-N 1 0 397.273 2.526 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000585698995 565105566 /nfs/dbraw/zinc/10/55/66/565105566.db2.gz ZDADYKDSCIPLHN-GFCCVEGCSA-N 1 0 382.258 2.880 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165267 565179824 /nfs/dbraw/zinc/17/98/24/565179824.db2.gz BDVIYLUXVPYWHB-MRXNPFEDSA-N 1 0 387.889 2.663 20 5 GFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591306415 565222824 /nfs/dbraw/zinc/22/28/24/565222824.db2.gz UVURTFIFQUNQIF-CABZTGNLSA-N 1 0 375.198 2.521 20 5 GFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000591723350 565237173 /nfs/dbraw/zinc/23/71/73/565237173.db2.gz WGPOYWCDTLURFE-VIFPVBQESA-N 1 0 375.269 2.928 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000599704878 565697340 /nfs/dbraw/zinc/69/73/40/565697340.db2.gz WQYGAZPMUZRFHU-WCQYABFASA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1sc(CN2CCC[C@H](Cn3ccnn3)C2)cc1Br ZINC000602483331 565851330 /nfs/dbraw/zinc/85/13/30/565851330.db2.gz GGVZYDWMUWBOBZ-JTQLQIEISA-N 1 0 386.275 2.923 20 5 GFBDRO COCCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535613 565853964 /nfs/dbraw/zinc/85/39/64/565853964.db2.gz QRLTYNHCRJXYBF-SNVBAGLBSA-N 1 0 378.292 2.619 20 5 GFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602554589 565855585 /nfs/dbraw/zinc/85/55/85/565855585.db2.gz BRGLBUIFYIOLDF-WCBMZHEXSA-N 1 0 397.316 2.864 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609196202 566032203 /nfs/dbraw/zinc/03/22/03/566032203.db2.gz FWSWMLGHMPZWHQ-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO CC[C@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610805614 566100320 /nfs/dbraw/zinc/10/03/20/566100320.db2.gz ZDXFCICVWBIJAJ-CYBMUJFWSA-N 1 0 383.495 2.546 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267832 598869794 /nfs/dbraw/zinc/86/97/94/598869794.db2.gz PKKRBUGVYPVJEI-LSDHHAIUSA-N 1 0 385.472 2.866 20 5 GFBDRO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000738373371 598503087 /nfs/dbraw/zinc/50/30/87/598503087.db2.gz BCEUVXMVUVPGIJ-UHFFFAOYSA-N 1 0 380.412 2.552 20 5 GFBDRO C[NH+](C)CC1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825859220 607542578 /nfs/dbraw/zinc/54/25/78/607542578.db2.gz DTWALQWRLIPRHQ-UHFFFAOYSA-N 1 0 396.455 2.855 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580997 606473752 /nfs/dbraw/zinc/47/37/52/606473752.db2.gz AQSTZKOOXZLYKD-NEPJUHHUSA-N 1 0 382.428 2.608 20 5 GFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820227098 607012239 /nfs/dbraw/zinc/01/22/39/607012239.db2.gz YIRPBNOQBXFRIH-CHWSQXEVSA-N 1 0 395.423 2.843 20 5 GFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820225583 607083640 /nfs/dbraw/zinc/08/36/40/607083640.db2.gz LZJRMNSGLGDVOL-OLZOCXBDSA-N 1 0 395.423 2.843 20 5 GFBDRO CC[NH+](CC)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000821182576 607167373 /nfs/dbraw/zinc/16/73/73/607167373.db2.gz WWFCCKFZGCDXJQ-OAHLLOKOSA-N 1 0 396.455 2.535 20 5 GFBDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1[N+](=O)[O-] ZINC000826202985 608505750 /nfs/dbraw/zinc/50/57/50/608505750.db2.gz VGSQLAGPLRENJP-INIZCTEOSA-N 1 0 380.408 2.951 20 5 GFBDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825147578 608552202 /nfs/dbraw/zinc/55/22/02/608552202.db2.gz JZPHRZBLFUFAMZ-MRXNPFEDSA-N 1 0 396.407 2.802 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826499120 608726221 /nfs/dbraw/zinc/72/62/21/608726221.db2.gz WOLHABGWHCBQPE-UHFFFAOYSA-N 1 0 386.437 2.880 20 5 GFBDRO Cc1c(Br)c(NC[C@@H](O)C[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000544394647 650439292 /nfs/dbraw/zinc/43/92/92/650439292.db2.gz NXQRWSXIHPTTNF-GFCCVEGCSA-N 1 0 387.278 2.565 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262503 660252519 /nfs/dbraw/zinc/25/25/19/660252519.db2.gz NHFAFULOJRDGPF-GXFFZTMASA-N 1 0 387.223 2.572 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[N@H+](C)C1CC1 ZINC000830371380 660650728 /nfs/dbraw/zinc/65/07/28/660650728.db2.gz APNMDUDGNNVKOH-MRVPVSSYSA-N 1 0 382.269 2.663 20 5 GFBDRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000030008845 654581819 /nfs/dbraw/zinc/58/18/19/654581819.db2.gz FQEWIGYXROAYHR-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000125121240 654788588 /nfs/dbraw/zinc/78/85/88/654788588.db2.gz DRQRMUFMVVSLJO-LLVKDONJSA-N 1 0 378.479 2.945 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822294 654821811 /nfs/dbraw/zinc/82/18/11/654821811.db2.gz XRTUCWQJGZLKEX-DGCLKSJQSA-N 1 0 387.527 2.896 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000269001220 654994693 /nfs/dbraw/zinc/99/46/93/654994693.db2.gz PDHMLSAUVNDUQG-RISCZKNCSA-N 1 0 382.258 2.914 20 5 GFBDRO C[NH+](C)CCOc1cc(CNc2ncc([N+](=O)[O-])cc2Br)ccn1 ZINC000270735419 655054235 /nfs/dbraw/zinc/05/42/35/655054235.db2.gz SLPJOELJIBAGPV-UHFFFAOYSA-N 1 0 396.245 2.700 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CCC(C[NH+]3CCOCC3)CC2)c1Br ZINC000839464943 661085628 /nfs/dbraw/zinc/08/56/28/661085628.db2.gz JUGRVXBRGWKVMS-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119368740 655300882 /nfs/dbraw/zinc/30/08/82/655300882.db2.gz YVRAWOHIPOZRFT-UHFFFAOYSA-N 1 0 387.845 2.594 20 5 GFBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120568648 655339504 /nfs/dbraw/zinc/33/95/04/655339504.db2.gz LWYHATPUFRQHRI-LBPRGKRZSA-N 1 0 384.274 2.748 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000751564851 655830984 /nfs/dbraw/zinc/83/09/84/655830984.db2.gz LXXDIVCNJZFAGF-CVEARBPZSA-N 1 0 381.226 2.714 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000841161937 661240393 /nfs/dbraw/zinc/24/03/93/661240393.db2.gz QYDDMFRAILMCCD-GARJFASQSA-N 1 0 383.246 2.867 20 5 GFBDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000772980385 656396385 /nfs/dbraw/zinc/39/63/85/656396385.db2.gz WKHAEQIEOGPNST-GFCCVEGCSA-N 1 0 383.495 2.913 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000784706442 657322672 /nfs/dbraw/zinc/32/26/72/657322672.db2.gz DBPXEUWKPAKGFB-GFCCVEGCSA-N 1 0 375.878 2.708 20 5 GFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813379785 660052535 /nfs/dbraw/zinc/05/25/35/660052535.db2.gz HLQRWWGTMCHMSL-LBPRGKRZSA-N 1 0 390.267 2.988 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000815001252 660100561 /nfs/dbraw/zinc/10/05/61/660100561.db2.gz BHIGAWPNZKQLOA-LLVKDONJSA-N 1 0 391.852 2.636 20 5 GFBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841573673 661305550 /nfs/dbraw/zinc/30/55/50/661305550.db2.gz BQCDSJDVVQOABM-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000842895415 661359243 /nfs/dbraw/zinc/35/92/43/661359243.db2.gz ZUGTYKVRDFDZJA-OLZOCXBDSA-N 1 0 387.889 2.567 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843113577 661369176 /nfs/dbraw/zinc/36/91/76/661369176.db2.gz XTVVZQBMWSXGEP-CVEARBPZSA-N 1 0 381.226 2.714 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000846233084 661539634 /nfs/dbraw/zinc/53/96/34/661539634.db2.gz XSGIHUYUSYCTOC-VXGBXAGGSA-N 1 0 375.878 2.695 20 5 GFBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000848023960 661621155 /nfs/dbraw/zinc/62/11/55/661621155.db2.gz DWWSRDIGJRFHHU-LLVKDONJSA-N 1 0 378.256 2.724 20 5 GFBDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000858327047 662108770 /nfs/dbraw/zinc/10/87/70/662108770.db2.gz KINKOONONKJLLI-WCQYABFASA-N 1 0 383.202 2.669 20 5 GFBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351708 662241606 /nfs/dbraw/zinc/24/16/06/662241606.db2.gz VINUWQGXVGEKCL-UKRRQHHQSA-N 1 0 387.230 2.623 20 5 GFBDRO C[C@@H]1CC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[NH2+]1 ZINC000861690352 662255016 /nfs/dbraw/zinc/25/50/16/662255016.db2.gz NSUHEPZEVSHNQD-GHMZBOCLSA-N 1 0 397.273 2.566 20 5 GFBDRO Cc1cc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])s1 ZINC000866684285 662489647 /nfs/dbraw/zinc/48/96/47/662489647.db2.gz KZORUIXYJVZGDW-UHFFFAOYSA-N 1 0 383.495 2.847 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866987589 662514835 /nfs/dbraw/zinc/51/48/35/662514835.db2.gz LIIVSNSATLRNOZ-UHFFFAOYSA-N 1 0 393.259 2.552 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867812925 662579452 /nfs/dbraw/zinc/57/94/52/662579452.db2.gz OAMZNBYNZVCNSW-JOYOIKCWSA-N 1 0 394.280 2.616 20 5 GFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868280661 662600421 /nfs/dbraw/zinc/60/04/21/662600421.db2.gz GJJBVRBRKYBTDJ-JSGCOSHPSA-N 1 0 396.285 2.985 20 5 GFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868335047 662602177 /nfs/dbraw/zinc/60/21/77/662602177.db2.gz BWAMDFZIXSQMKD-DOMZBBRYSA-N 1 0 396.285 2.985 20 5 GFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869416625 662645977 /nfs/dbraw/zinc/64/59/77/662645977.db2.gz QKOOMCDTFUBSKJ-CYBMUJFWSA-N 1 0 384.274 2.748 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872151149 662756809 /nfs/dbraw/zinc/75/68/09/662756809.db2.gz IOWSIIKVFSNNIY-ZJUUUORDSA-N 1 0 382.180 2.926 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3ccc(Br)cc3)C2)c1 ZINC000877126221 662871485 /nfs/dbraw/zinc/87/14/85/662871485.db2.gz GQQWTIATVZMDNH-PIMMBPRGSA-N 1 0 381.230 2.581 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882767630 663041118 /nfs/dbraw/zinc/04/11/18/663041118.db2.gz VHXQHMOUVZXGAU-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000885886197 663100583 /nfs/dbraw/zinc/10/05/83/663100583.db2.gz SUKPHQLOFWCVII-GFCCVEGCSA-N 1 0 388.251 2.885 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887926381 663170270 /nfs/dbraw/zinc/17/02/70/663170270.db2.gz HENRCUXFKHAPHG-BZNIZROVSA-N 1 0 382.258 2.689 20 5 GFBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000901136112 663730908 /nfs/dbraw/zinc/73/09/08/663730908.db2.gz YYTCRKIGFBTKRZ-VIFPVBQESA-N 1 0 394.230 2.617 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905426773 663871089 /nfs/dbraw/zinc/87/10/89/663871089.db2.gz JWCSYZZPJMBJJR-RDJZCZTQSA-N 1 0 395.253 2.932 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000915224007 664424388 /nfs/dbraw/zinc/42/43/88/664424388.db2.gz YSUQFOIKOKWOME-CQSZACIVSA-N 1 0 384.274 2.654 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000923378175 664629186 /nfs/dbraw/zinc/62/91/86/664629186.db2.gz RNDJPWIGEFZTPH-ZBFHGGJFSA-N 1 0 396.285 2.558 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C(F)(F)F ZINC000923428291 664630338 /nfs/dbraw/zinc/63/03/38/664630338.db2.gz XGMOCXGXJGFYQM-MWLCHTKSSA-N 1 0 382.180 2.926 20 5 GFBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000923438625 664630570 /nfs/dbraw/zinc/63/05/70/664630570.db2.gz ASSXUKOZHUZISZ-AWEZNQCLSA-N 1 0 384.274 2.687 20 5 GFBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)CC2 ZINC000935216353 664946555 /nfs/dbraw/zinc/94/65/55/664946555.db2.gz AAWADIMTUGHBQS-UHFFFAOYSA-N 1 0 397.273 2.640 20 5 GFBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC3)cs1 ZINC001164691466 719803761 /nfs/dbraw/zinc/80/37/61/719803761.db2.gz HNMBUNCZLBVVRR-UHFFFAOYSA-N 1 0 389.481 2.628 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815898 720134922 /nfs/dbraw/zinc/13/49/22/720134922.db2.gz XFALOKUGNOOKSL-MGPUTAFESA-N 1 0 385.468 2.656 20 5 GFBDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840798 720510068 /nfs/dbraw/zinc/51/00/68/720510068.db2.gz XNJCHMIHDIKMMG-RCCFBDPRSA-N 1 0 384.484 2.873 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@@H]3C2)cn1 ZINC001164762113 721115311 /nfs/dbraw/zinc/11/53/11/721115311.db2.gz BYAMSYIXXAHPNX-IRXDYDNUSA-N 1 0 392.463 2.835 20 5 GFBDRO CC1CC[NH+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120389383 551220447 /nfs/dbraw/zinc/22/04/47/551220447.db2.gz BJRGAYJFQXXKEU-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122469217 551298379 /nfs/dbraw/zinc/29/83/79/551298379.db2.gz QAUUARFCVBDKAR-DOMZBBRYSA-N 1 0 387.889 2.661 20 5 GFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000126402481 551329025 /nfs/dbraw/zinc/32/90/25/551329025.db2.gz KKDIUEYSAMNLBB-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000152363538 551431395 /nfs/dbraw/zinc/43/13/95/551431395.db2.gz PRZAXGRVXNVNRO-LBPRGKRZSA-N 1 0 399.289 2.569 20 5 GFBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000162100289 551603443 /nfs/dbraw/zinc/60/34/43/551603443.db2.gz UNQHFCPODGCWIT-GFCCVEGCSA-N 1 0 383.495 2.902 20 5 GFBDRO C[NH+](C)CCCNC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000179903894 552206491 /nfs/dbraw/zinc/20/64/91/552206491.db2.gz LMTAZRMWNCSKBI-UHFFFAOYSA-N 1 0 376.276 2.517 20 5 GFBDRO Cc1c([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000181500448 552258270 /nfs/dbraw/zinc/25/82/70/552258270.db2.gz WDUNQNVTUXZRKI-ZDUSSCGKSA-N 1 0 383.495 2.936 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000183292303 552304914 /nfs/dbraw/zinc/30/49/14/552304914.db2.gz AROXUUSZRFRHHU-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188265076 552440646 /nfs/dbraw/zinc/44/06/46/552440646.db2.gz PMFUUMJGDQIVII-UHFFFAOYSA-N 1 0 375.878 2.745 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000191229665 552522151 /nfs/dbraw/zinc/52/21/51/552522151.db2.gz MVOSQYRBIYWMHV-SNVBAGLBSA-N 1 0 389.886 2.939 20 5 GFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C2CC2)C1 ZINC000295253893 563238657 /nfs/dbraw/zinc/23/86/57/563238657.db2.gz FINTZLBHMMICOH-NSHDSACASA-N 1 0 382.258 2.914 20 5 GFBDRO CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000421001885 563293354 /nfs/dbraw/zinc/29/33/54/563293354.db2.gz QCMXSXIZDUJNCD-ZDUSSCGKSA-N 1 0 389.237 2.725 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373066619 563327622 /nfs/dbraw/zinc/32/76/22/563327622.db2.gz TWRMWPWSZYQCKS-KCJUWKMLSA-N 1 0 388.649 2.835 20 5 GFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000280264307 563329677 /nfs/dbraw/zinc/32/96/77/563329677.db2.gz CHKJJMXRNOHVOU-BXUZGUMPSA-N 1 0 396.241 2.843 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000373180474 563331070 /nfs/dbraw/zinc/33/10/70/563331070.db2.gz USGDAPCDLOTMPR-YGRLFVJLSA-N 1 0 383.246 2.915 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298881769 563369476 /nfs/dbraw/zinc/36/94/76/563369476.db2.gz ZQVBDUUEOUYBLU-UHFFFAOYSA-N 1 0 375.878 2.742 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000299206153 563377741 /nfs/dbraw/zinc/37/77/41/563377741.db2.gz JOHMKUFLNLAOBR-UHFFFAOYSA-N 1 0 375.878 2.742 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375059519 563388507 /nfs/dbraw/zinc/38/85/07/563388507.db2.gz JTTUSMAALMNYNX-NHYWBVRUSA-N 1 0 382.258 2.832 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000325141026 563453907 /nfs/dbraw/zinc/45/39/07/563453907.db2.gz ZXXPBJRVMDWKAI-INIZCTEOSA-N 1 0 395.253 2.929 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000330557336 563511145 /nfs/dbraw/zinc/51/11/45/563511145.db2.gz WPQXDJKUTYMXMW-QWHCGFSZSA-N 1 0 377.388 2.731 20 5 GFBDRO O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286337658 563557023 /nfs/dbraw/zinc/55/70/23/563557023.db2.gz RUVLDGSLCAFAEE-MRXNPFEDSA-N 1 0 394.269 2.869 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332046519 563572600 /nfs/dbraw/zinc/57/26/00/563572600.db2.gz MKBGQIYKAQGVAC-HUUCEWRRSA-N 1 0 382.258 2.643 20 5 GFBDRO O=C(c1csc([N+](=O)[O-])c1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435574543 563653694 /nfs/dbraw/zinc/65/36/94/563653694.db2.gz NZHAOHZWBSLCIE-LBPRGKRZSA-N 1 0 378.479 2.897 20 5 GFBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435628363 563655449 /nfs/dbraw/zinc/65/54/49/563655449.db2.gz QLSXEOLEUAUCBF-GFCCVEGCSA-N 1 0 399.289 2.760 20 5 GFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000292198473 563777964 /nfs/dbraw/zinc/77/79/64/563777964.db2.gz ZNYRVCYZKHSODD-SECBINFHSA-N 1 0 376.226 2.955 20 5 GFBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000415648434 563790161 /nfs/dbraw/zinc/79/01/61/563790161.db2.gz BXCMEXQFJTZCFX-LLVKDONJSA-N 1 0 393.188 2.784 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000415705859 563791973 /nfs/dbraw/zinc/79/19/73/563791973.db2.gz UJGJHICLRUKRCO-UHFFFAOYSA-N 1 0 383.246 2.965 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000415710491 563792814 /nfs/dbraw/zinc/79/28/14/563792814.db2.gz ZFNQCSCSCNCNBS-BIGNPOOSSA-N 1 0 383.246 2.948 20 5 GFBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000367709110 563852858 /nfs/dbraw/zinc/85/28/58/563852858.db2.gz WCUQXMSFGZLQSY-UHFFFAOYSA-N 1 0 391.852 2.636 20 5 GFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000564435611 564233233 /nfs/dbraw/zinc/23/32/33/564233233.db2.gz JUKQMDSPWUDBSX-TXEJJXNPSA-N 1 0 384.274 2.841 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(Br)c2)cc1 ZINC000544599115 564389537 /nfs/dbraw/zinc/38/95/37/564389537.db2.gz TVWKGMOGAWWGGR-UHFFFAOYSA-N 1 0 399.266 2.921 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000515096412 564469784 /nfs/dbraw/zinc/46/97/84/564469784.db2.gz KAXMLYZOIMXWGT-CQSZACIVSA-N 1 0 390.221 2.840 20 5 GFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCO[C@@H]21 ZINC000519079597 564569561 /nfs/dbraw/zinc/56/95/61/564569561.db2.gz PCTQICAEAOXHIT-VQISRLSMSA-N 1 0 398.257 2.699 20 5 GFBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000572120914 564581549 /nfs/dbraw/zinc/58/15/49/564581549.db2.gz GTABIDSBMFSZJC-UHFFFAOYSA-N 1 0 375.878 2.778 20 5 GFBDRO CC[N@@H+]1CC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253356 564630253 /nfs/dbraw/zinc/63/02/53/564630253.db2.gz JPKGKXMFFCTVBJ-LLVKDONJSA-N 1 0 389.237 2.631 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531269363 564905647 /nfs/dbraw/zinc/90/56/47/564905647.db2.gz MBZWPJPUOYLOPZ-LBPRGKRZSA-N 1 0 384.274 2.746 20 5 GFBDRO CO[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000559335292 564930823 /nfs/dbraw/zinc/93/08/23/564930823.db2.gz SBGHUJSARKBRFM-ZDUSSCGKSA-N 1 0 376.194 2.714 20 5 GFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500113487 564946184 /nfs/dbraw/zinc/94/61/84/564946184.db2.gz VKSBTTFNWYFQPV-ZDUSSCGKSA-N 1 0 375.878 2.791 20 5 GFBDRO CC[N@@H+]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000561398142 564993951 /nfs/dbraw/zinc/99/39/51/564993951.db2.gz PZIHOLSOCBDHMR-UHFFFAOYSA-N 1 0 389.237 2.727 20 5 GFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614172 565050399 /nfs/dbraw/zinc/05/03/99/565050399.db2.gz TWLOJQDNYRIAQT-XQQFMLRXSA-N 1 0 389.905 2.893 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000584715035 565093758 /nfs/dbraw/zinc/09/37/58/565093758.db2.gz BYYCNJCPLDROOK-OAHLLOKOSA-N 1 0 381.226 2.887 20 5 GFBDRO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382763 565272357 /nfs/dbraw/zinc/27/23/57/565272357.db2.gz ZQYSGAKMOMUBJR-KCJUWKMLSA-N 1 0 382.269 2.650 20 5 GFBDRO CN1CC[NH+](CC2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000596087942 565513006 /nfs/dbraw/zinc/51/30/06/565513006.db2.gz LQTAERJGNLGPMV-UHFFFAOYSA-N 1 0 397.317 2.821 20 5 GFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000599110629 565656333 /nfs/dbraw/zinc/65/63/33/565656333.db2.gz DGEWVUFVRZZXMG-OKILXGFUSA-N 1 0 394.280 2.522 20 5 GFBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000599101012 565657220 /nfs/dbraw/zinc/65/72/20/565657220.db2.gz GNBFHWYYRZLVIO-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599413546 565677047 /nfs/dbraw/zinc/67/70/47/565677047.db2.gz ZTQSZEISDLVIRS-LBPRGKRZSA-N 1 0 375.878 2.567 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000599704876 565697713 /nfs/dbraw/zinc/69/77/13/565697713.db2.gz WQYGAZPMUZRFHU-AAEUAGOBSA-N 1 0 382.258 2.914 20 5 GFBDRO C[NH+](C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000600474508 565731817 /nfs/dbraw/zinc/73/18/17/565731817.db2.gz XKTOJTORCVSINC-AWEZNQCLSA-N 1 0 386.239 2.517 20 5 GFBDRO Cc1cc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601314441 565775703 /nfs/dbraw/zinc/77/57/03/565775703.db2.gz GYKWIYDMKDQKAJ-UHFFFAOYSA-N 1 0 375.516 2.706 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000602801951 565869116 /nfs/dbraw/zinc/86/91/16/565869116.db2.gz WDSCOKDUWCYQNS-AWEZNQCLSA-N 1 0 383.246 2.528 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000610668437 566092981 /nfs/dbraw/zinc/09/29/81/566092981.db2.gz FGXGDVPTZVINJA-CYBMUJFWSA-N 1 0 384.274 2.890 20 5 GFBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000610957545 566107541 /nfs/dbraw/zinc/10/75/41/566107541.db2.gz COAQQHASUCJWGS-UHFFFAOYSA-N 1 0 383.392 2.576 20 5 GFBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711411 599477820 /nfs/dbraw/zinc/47/78/20/599477820.db2.gz YQDFDYHFISFWHH-OLZOCXBDSA-N 1 0 396.455 2.855 20 5 GFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399413 607553261 /nfs/dbraw/zinc/55/32/61/607553261.db2.gz SEJBIGLKGFXUKC-UGSOOPFHSA-N 1 0 382.424 2.891 20 5 GFBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619390 606044466 /nfs/dbraw/zinc/04/44/66/606044466.db2.gz VCNLXPGFARDZDA-KRWDZBQOSA-N 1 0 393.451 2.876 20 5 GFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920071 606621558 /nfs/dbraw/zinc/62/15/58/606621558.db2.gz KARTWENAPSRQIN-YVEFUNNKSA-N 1 0 395.423 2.843 20 5 GFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092082 606808800 /nfs/dbraw/zinc/80/88/00/606808800.db2.gz HDGBMOUGTLFEIT-CYBMUJFWSA-N 1 0 396.455 2.713 20 5 GFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820120812 606857244 /nfs/dbraw/zinc/85/72/44/606857244.db2.gz KDHJYMBUZQAILD-GOSISDBHSA-N 1 0 382.424 2.719 20 5 GFBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668774 606875631 /nfs/dbraw/zinc/87/56/31/606875631.db2.gz WELBVAPBBAEXTQ-ZFWWWQNUSA-N 1 0 379.424 2.850 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500118 608280814 /nfs/dbraw/zinc/28/08/14/608280814.db2.gz LXAUTAOUKVWXKD-GOSISDBHSA-N 1 0 394.435 2.765 20 5 GFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000826241830 608467055 /nfs/dbraw/zinc/46/70/55/608467055.db2.gz QKTCLRGJNJQVGW-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826341247 608471135 /nfs/dbraw/zinc/47/11/35/608471135.db2.gz BNOBIQPSUOCVJW-GHMZBOCLSA-N 1 0 399.411 2.663 20 5 GFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825140507 608551958 /nfs/dbraw/zinc/55/19/58/608551958.db2.gz KFABDHBOCFPWCO-QGZVFWFLSA-N 1 0 395.423 2.844 20 5 GFBDRO CC[NH+](CC)CCOCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000544412400 650941280 /nfs/dbraw/zinc/94/12/80/650941280.db2.gz ISTBUVMAIMWCRK-UHFFFAOYSA-N 1 0 375.267 2.831 20 5 GFBDRO O=C1OCCN1C[C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000823205423 660365016 /nfs/dbraw/zinc/36/50/16/660365016.db2.gz OYWUCWRCGROZKN-LLVKDONJSA-N 1 0 384.230 2.631 20 5 GFBDRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830348267 660649581 /nfs/dbraw/zinc/64/95/81/660649581.db2.gz FGPRSEXFKSTWIK-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000124938048 654783936 /nfs/dbraw/zinc/78/39/36/654783936.db2.gz KQPQDKRUSDXKQO-OCCSQVGLSA-N 1 0 387.889 2.661 20 5 GFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940695 654953243 /nfs/dbraw/zinc/95/32/43/654953243.db2.gz RXJLIQLSESAMMX-NWDGAFQWSA-N 1 0 386.221 2.853 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940687 654953375 /nfs/dbraw/zinc/95/33/75/654953375.db2.gz RWHCHPGLQPFBNA-SKDRFNHKSA-N 1 0 388.237 2.909 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(Cl)c1 ZINC000069124364 654974035 /nfs/dbraw/zinc/97/40/35/654974035.db2.gz PKPFHLSWBKVEIU-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272824184 655122425 /nfs/dbraw/zinc/12/24/25/655122425.db2.gz JPKXTJSHEIKPQG-LBPRGKRZSA-N 1 0 375.516 2.840 20 5 GFBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530554 661090115 /nfs/dbraw/zinc/09/01/15/661090115.db2.gz ACBISZRXTKAEAA-OLZOCXBDSA-N 1 0 382.258 2.848 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000176084439 655234660 /nfs/dbraw/zinc/23/46/60/655234660.db2.gz IJZMKYBRXJYNKY-AWEZNQCLSA-N 1 0 382.258 2.597 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000176681395 655252065 /nfs/dbraw/zinc/25/20/65/655252065.db2.gz VIFNDWJHBQNQMH-CYBMUJFWSA-N 1 0 387.889 2.806 20 5 GFBDRO COC[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000117946612 655270582 /nfs/dbraw/zinc/27/05/82/655270582.db2.gz LPTNOYFTWFITMF-LLVKDONJSA-N 1 0 385.214 2.714 20 5 GFBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119364683 655300935 /nfs/dbraw/zinc/30/09/35/655300935.db2.gz WPAJEPGDOUHEIL-UHFFFAOYSA-N 1 0 387.845 2.594 20 5 GFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365488640 655394443 /nfs/dbraw/zinc/39/44/43/655394443.db2.gz WZQIXIIMFVFFNV-FPMFFAJLSA-N 1 0 394.269 2.914 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247979586 655432187 /nfs/dbraw/zinc/43/21/87/655432187.db2.gz MCCPMQUZFCFCMM-GXTWGEPZSA-N 1 0 387.889 2.661 20 5 GFBDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577812477 655467612 /nfs/dbraw/zinc/46/76/12/655467612.db2.gz FBVMWZSDTVUFMG-WBMJQRKESA-N 1 0 397.273 2.526 20 5 GFBDRO Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596540985 655516435 /nfs/dbraw/zinc/51/64/35/655516435.db2.gz XQFDEZRMYKKTQL-CYBMUJFWSA-N 1 0 384.274 2.701 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000840338632 661155528 /nfs/dbraw/zinc/15/55/28/661155528.db2.gz DBGYPGOWXVHIHT-NSHDSACASA-N 1 0 377.413 2.735 20 5 GFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733318558 655612175 /nfs/dbraw/zinc/61/21/75/655612175.db2.gz AAIXZFHLBIVVGA-CYBMUJFWSA-N 1 0 375.878 2.791 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000762280716 656037983 /nfs/dbraw/zinc/03/79/83/656037983.db2.gz TUEMOYAIVOYCMH-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000841160665 661240160 /nfs/dbraw/zinc/24/01/60/661240160.db2.gz DHZJZISCQHXNCS-PHIMTYICSA-N 1 0 383.246 2.821 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000768828284 656253304 /nfs/dbraw/zinc/25/33/04/656253304.db2.gz XODILWBWXUARAZ-UHFFFAOYSA-N 1 0 387.527 2.979 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000769907823 656299784 /nfs/dbraw/zinc/29/97/84/656299784.db2.gz MSFTZTDFARBSNW-NSHDSACASA-N 1 0 377.894 2.811 20 5 GFBDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000783598097 657245378 /nfs/dbraw/zinc/24/53/78/657245378.db2.gz FONIBUAHIDYPEX-UHFFFAOYSA-N 1 0 383.857 2.587 20 5 GFBDRO CC1(C)[C@@H]2CN(CN3Cc4cc(Br)c([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000795430746 658818226 /nfs/dbraw/zinc/81/82/26/658818226.db2.gz GOEBABOCRYZMQP-TXEJJXNPSA-N 1 0 380.242 2.858 20 5 GFBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795775253 658849609 /nfs/dbraw/zinc/84/96/09/658849609.db2.gz JDDLRKZISGDOKJ-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000811483104 660009974 /nfs/dbraw/zinc/00/99/74/660009974.db2.gz BYUDWDRVDMEBJQ-LLVKDONJSA-N 1 0 386.239 2.744 20 5 GFBDRO CC1CC[NH+](CCCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814985949 660100073 /nfs/dbraw/zinc/10/00/73/660100073.db2.gz ZBCNXCHKHZOJBA-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815018112 660102050 /nfs/dbraw/zinc/10/20/50/660102050.db2.gz GSFXHYRRMYUXKT-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568532 660125827 /nfs/dbraw/zinc/12/58/27/660125827.db2.gz LKQYHUWBHBRLTH-NSHDSACASA-N 1 0 383.857 2.955 20 5 GFBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000842584440 661344364 /nfs/dbraw/zinc/34/43/64/661344364.db2.gz ZAIIXDUULCEVSZ-SSDOTTSWSA-N 1 0 388.165 2.572 20 5 GFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000843152944 661371084 /nfs/dbraw/zinc/37/10/84/661371084.db2.gz UPDZPOPEFIDGLK-SNVBAGLBSA-N 1 0 388.165 2.905 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000843454153 661381937 /nfs/dbraw/zinc/38/19/37/661381937.db2.gz JFGXRHQMZUMKMT-UHFFFAOYSA-N 1 0 386.221 2.712 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1Br ZINC000844337033 661415817 /nfs/dbraw/zinc/41/58/17/661415817.db2.gz CJEOXYYXXWJOCM-UHFFFAOYSA-N 1 0 398.301 2.684 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846229989 661539256 /nfs/dbraw/zinc/53/92/56/661539256.db2.gz CJFWUIBVPTWTJG-GXFFZTMASA-N 1 0 375.878 2.695 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848509450 661659018 /nfs/dbraw/zinc/65/90/18/661659018.db2.gz VUVNSMVZXZOIKM-KBPBESRZSA-N 1 0 387.889 2.852 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849411602 661718271 /nfs/dbraw/zinc/71/82/71/661718271.db2.gz OWWXPFNKYRUJND-GFCCVEGCSA-N 1 0 389.905 2.955 20 5 GFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000852762588 661873814 /nfs/dbraw/zinc/87/38/14/661873814.db2.gz PNHDEGHVKXBMAL-CQSZACIVSA-N 1 0 386.290 2.900 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000864932937 662391605 /nfs/dbraw/zinc/39/16/05/662391605.db2.gz AJCKBCBKOXLCBZ-UHFFFAOYSA-N 1 0 396.285 2.890 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864962124 662392620 /nfs/dbraw/zinc/39/26/20/662392620.db2.gz IJMQKRXRTJYIBI-LBPRGKRZSA-N 1 0 382.258 2.500 20 5 GFBDRO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000866212212 662464605 /nfs/dbraw/zinc/46/46/05/662464605.db2.gz FBGQCWTZLPBRGL-UHFFFAOYSA-N 1 0 383.290 2.574 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866363587 662469067 /nfs/dbraw/zinc/46/90/67/662469067.db2.gz MRVLLSXHRFRESO-CHWSQXEVSA-N 1 0 384.274 2.889 20 5 GFBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000867620542 662563376 /nfs/dbraw/zinc/56/33/76/662563376.db2.gz OGPQHKHZEFHPEQ-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000867632636 662564555 /nfs/dbraw/zinc/56/45/55/662564555.db2.gz WBXRMIJDTYYWMQ-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836277 662837893 /nfs/dbraw/zinc/83/78/93/662837893.db2.gz DYOLIJLWYQLEGV-LSDHHAIUSA-N 1 0 382.258 2.595 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3ccc(Br)cc3)C2)c1 ZINC000877020668 662869784 /nfs/dbraw/zinc/86/97/84/662869784.db2.gz BYGKWJDCJVUQPM-UHFFFAOYSA-N 1 0 381.230 2.926 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000882635646 663034366 /nfs/dbraw/zinc/03/43/66/663034366.db2.gz JACNNQHBLQLPCN-GFCCVEGCSA-N 1 0 388.237 2.532 20 5 GFBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000883294894 663052531 /nfs/dbraw/zinc/05/25/31/663052531.db2.gz PBPQVVKUJSZYBN-SNVBAGLBSA-N 1 0 391.287 2.660 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cc1Br ZINC000895586398 663519898 /nfs/dbraw/zinc/51/98/98/663519898.db2.gz VONSQOGUWYDIGL-JTQLQIEISA-N 1 0 375.244 2.953 20 5 GFBDRO COC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000895858519 663530629 /nfs/dbraw/zinc/53/06/29/663530629.db2.gz KALIROBWBADZKH-SKDRFNHKSA-N 1 0 379.276 2.950 20 5 GFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCc4ncc(Br)n4C3)nc2c1 ZINC000898720210 663660235 /nfs/dbraw/zinc/66/02/35/663660235.db2.gz KDUHZRNMEVBCDR-VIFPVBQESA-N 1 0 392.213 2.800 20 5 GFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000935368875 664957160 /nfs/dbraw/zinc/95/71/60/664957160.db2.gz UZMHKUOHDBOCAL-GOEBONIOSA-N 1 0 381.523 2.969 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)CC1 ZINC001164617445 719027953 /nfs/dbraw/zinc/02/79/53/719027953.db2.gz MABGQKKPUVVPHB-UHFFFAOYSA-N 1 0 390.484 2.851 20 5 GFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164856116 720937416 /nfs/dbraw/zinc/93/74/16/720937416.db2.gz AIWARKCLHQITFF-LLVKDONJSA-N 1 0 393.879 2.965 20 5 GFBDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014651393 207026208 /nfs/dbraw/zinc/02/62/08/207026208.db2.gz UCSZGQCYTBIKFE-UHFFFAOYSA-N 1 0 381.436 2.961 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCn2ccnc2)c1 ZINC000290079075 563697546 /nfs/dbraw/zinc/69/75/46/563697546.db2.gz YUYUFMDTVCHZLE-UHFFFAOYSA-N 1 0 386.193 2.576 20 5 GFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068903316 551193915 /nfs/dbraw/zinc/19/39/15/551193915.db2.gz CUHNURJPTCRYFP-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124458044 551314833 /nfs/dbraw/zinc/31/48/33/551314833.db2.gz FWWSTSJNDMGLFB-CYBMUJFWSA-N 1 0 383.392 2.655 20 5 GFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162076110 551602978 /nfs/dbraw/zinc/60/29/78/551602978.db2.gz OFGGENQOESIPJB-ZDUSSCGKSA-N 1 0 398.301 2.994 20 5 GFBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000168054476 551634222 /nfs/dbraw/zinc/63/42/22/551634222.db2.gz MTRGDQQRGIKWTQ-JTQLQIEISA-N 1 0 381.376 2.559 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000174740478 552109113 /nfs/dbraw/zinc/10/91/13/552109113.db2.gz CNRSAWALEUYQRV-HOTGVXAUSA-N 1 0 395.257 2.752 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176693585 552144279 /nfs/dbraw/zinc/14/42/79/552144279.db2.gz BKJKLWOVGDCHPI-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2c(cc1Br)OCCO2 ZINC000180463084 552226653 /nfs/dbraw/zinc/22/66/53/552226653.db2.gz QUBNGYYONHCGKW-JTQLQIEISA-N 1 0 397.229 2.676 20 5 GFBDRO CCc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180942517 552240677 /nfs/dbraw/zinc/24/06/77/552240677.db2.gz XUEGIQYOAXCGQL-LBPRGKRZSA-N 1 0 383.495 2.848 20 5 GFBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000181512523 552258907 /nfs/dbraw/zinc/25/89/07/552258907.db2.gz YPDUOMBOYKEZED-OAHLLOKOSA-N 1 0 383.495 2.984 20 5 GFBDRO C[N@H+](CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000185695228 552369141 /nfs/dbraw/zinc/36/91/41/552369141.db2.gz XGMSFEZCCRDIED-UHFFFAOYSA-N 1 0 384.205 2.790 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000186314896 552384856 /nfs/dbraw/zinc/38/48/56/552384856.db2.gz AULWTHZLVUNRFY-UHFFFAOYSA-N 1 0 389.905 2.909 20 5 GFBDRO COCCN(CCn1cc([N+](=O)[O-])cn1)Cc1sccc1Br ZINC000191430669 552528068 /nfs/dbraw/zinc/52/80/68/552528068.db2.gz LBMBPMMVYZKJTF-UHFFFAOYSA-N 1 0 389.275 2.764 20 5 GFBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000236608468 553069774 /nfs/dbraw/zinc/06/97/74/553069774.db2.gz BXWITIJCIWMYCH-UHFFFAOYSA-N 1 0 378.226 2.877 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248549056 553131135 /nfs/dbraw/zinc/13/11/35/553131135.db2.gz KAHJCRWYJUUFGU-QWHCGFSZSA-N 1 0 387.889 2.661 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCc2c(F)ccc(Br)c2C1 ZINC000295323405 563242101 /nfs/dbraw/zinc/24/21/01/563242101.db2.gz GVTDNPJRZXDOHU-UHFFFAOYSA-N 1 0 396.216 2.716 20 5 GFBDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000424055434 563368547 /nfs/dbraw/zinc/36/85/47/563368547.db2.gz BHOILQFTXSJTTI-NTZNESFSSA-N 1 0 384.274 2.732 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375059520 563388625 /nfs/dbraw/zinc/38/86/25/563388625.db2.gz JTTUSMAALMNYNX-XHDPSFHLSA-N 1 0 382.258 2.832 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301412583 563402814 /nfs/dbraw/zinc/40/28/14/563402814.db2.gz ZCEJLGVOXNNSCB-CQSZACIVSA-N 1 0 383.290 2.574 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301860778 563413926 /nfs/dbraw/zinc/41/39/26/563413926.db2.gz TVAOWBLYYOWEBG-CQSZACIVSA-N 1 0 399.289 2.834 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c1 ZINC000375987429 563426194 /nfs/dbraw/zinc/42/61/94/563426194.db2.gz KATKUXZRRZYTRK-STQMWFEESA-N 1 0 387.889 2.709 20 5 GFBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000427765904 563474678 /nfs/dbraw/zinc/47/46/78/563474678.db2.gz VQWFEKAOHQLBHD-ZDUSSCGKSA-N 1 0 381.479 2.728 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377816214 563487292 /nfs/dbraw/zinc/48/72/92/563487292.db2.gz DOSHBAJGVADYKM-AWEZNQCLSA-N 1 0 396.285 2.748 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000377883006 563489998 /nfs/dbraw/zinc/48/99/98/563489998.db2.gz HUDAGBLBZRQGPS-NOZJJQNGSA-N 1 0 394.280 2.616 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405209063 563537940 /nfs/dbraw/zinc/53/79/40/563537940.db2.gz BVSBOKPMXLXKJJ-QMTHXVAHSA-N 1 0 375.878 2.695 20 5 GFBDRO CSc1cccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332084188 563574980 /nfs/dbraw/zinc/57/49/80/563574980.db2.gz PLWUWOAAVUQCRB-UKRRQHHQSA-N 1 0 381.523 2.969 20 5 GFBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000332234174 563585980 /nfs/dbraw/zinc/58/59/80/563585980.db2.gz QFZDPFXHFANNCL-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289642382 563681928 /nfs/dbraw/zinc/68/19/28/563681928.db2.gz WSJOPYWSROQOIF-ZANVPECISA-N 1 0 376.194 2.714 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364561851 563757727 /nfs/dbraw/zinc/75/77/27/563757727.db2.gz OVMGQXZDMZNLLL-UHFFFAOYSA-N 1 0 382.258 2.963 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[NH2+]CCO3)o2)c(Br)c1 ZINC000415093123 563758703 /nfs/dbraw/zinc/75/87/03/563758703.db2.gz HNMRUPKRKIPBMK-CYBMUJFWSA-N 1 0 396.241 2.695 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000415710494 563792617 /nfs/dbraw/zinc/79/26/17/563792617.db2.gz ZFNQCSCSCNCNBS-QCZZGDTMSA-N 1 0 383.246 2.948 20 5 GFBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416474895 563835038 /nfs/dbraw/zinc/83/50/38/563835038.db2.gz ZOVNUMLJRCVWOS-UHFFFAOYSA-N 1 0 383.392 2.576 20 5 GFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000294378456 563840486 /nfs/dbraw/zinc/84/04/86/563840486.db2.gz ZVWFUNKZVFALCV-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543120 563847745 /nfs/dbraw/zinc/84/77/45/563847745.db2.gz XWPVFFUTEDHDLG-JSGCOSHPSA-N 1 0 382.258 2.848 20 5 GFBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369174591 563888922 /nfs/dbraw/zinc/88/89/22/563888922.db2.gz PRJZREVZWACIHS-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449647881 564193520 /nfs/dbraw/zinc/19/35/20/564193520.db2.gz PYURKCWPSXJWFN-QWHCGFSZSA-N 1 0 378.210 2.839 20 5 GFBDRO O=[N+]([O-])c1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cc1 ZINC000449770272 564202134 /nfs/dbraw/zinc/20/21/34/564202134.db2.gz WJPDHPQUPWMKLP-UHFFFAOYSA-N 1 0 393.241 2.623 20 5 GFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000539048857 564208667 /nfs/dbraw/zinc/20/86/67/564208667.db2.gz WGMBTWVTWANXDA-CYBMUJFWSA-N 1 0 383.495 2.936 20 5 GFBDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000513007792 564417962 /nfs/dbraw/zinc/41/79/62/564417962.db2.gz WNWJJTFICSBIJN-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000572703270 564606371 /nfs/dbraw/zinc/60/63/71/564606371.db2.gz JXXMLUNONZMCII-WCQGTBRESA-N 1 0 383.246 2.867 20 5 GFBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000521222371 564621990 /nfs/dbraw/zinc/62/19/90/564621990.db2.gz WDONMELHEDQKLS-SNVBAGLBSA-N 1 0 383.392 2.621 20 5 GFBDRO C[N@H+](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000486748969 564665702 /nfs/dbraw/zinc/66/57/02/564665702.db2.gz OFHRHZNASZNZAH-GFCCVEGCSA-N 1 0 377.388 2.667 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000525894686 564712363 /nfs/dbraw/zinc/71/23/63/564712363.db2.gz UZGMQMKWHRRYRH-LLVKDONJSA-N 1 0 375.878 2.709 20 5 GFBDRO C[N@@H+]1CCC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978086 564780252 /nfs/dbraw/zinc/78/02/52/564780252.db2.gz FQNBLLBJPIROTA-LLVKDONJSA-N 1 0 389.237 2.631 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000491060109 564785334 /nfs/dbraw/zinc/78/53/34/564785334.db2.gz MRGYYNLCEUBYEJ-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1csc(Br)c1 ZINC000582569763 564852597 /nfs/dbraw/zinc/85/25/97/564852597.db2.gz VOEIMZJEBOJEJL-LLVKDONJSA-N 1 0 387.255 2.948 20 5 GFBDRO C[C@H](CCC[NH3+])NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000583993742 564915987 /nfs/dbraw/zinc/91/59/87/564915987.db2.gz UYTBKPDHEFVTSG-SECBINFHSA-N 1 0 386.239 2.945 20 5 GFBDRO CN(CCC[NH+]1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000499930087 564941001 /nfs/dbraw/zinc/94/10/01/564941001.db2.gz RNEBLVGBLGXNIX-UHFFFAOYSA-N 1 0 399.289 2.714 20 5 GFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467788587 564972689 /nfs/dbraw/zinc/97/26/89/564972689.db2.gz NFYGSSYYRHRAOF-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO CC(C)[C@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562071497 565017006 /nfs/dbraw/zinc/01/70/06/565017006.db2.gz BRIJTPWLLHZHHP-CYBMUJFWSA-N 1 0 378.210 2.696 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000591840674 565240869 /nfs/dbraw/zinc/24/08/69/565240869.db2.gz BZHLTPDMJQZIJX-OAHLLOKOSA-N 1 0 384.274 2.654 20 5 GFBDRO CC1(C)CN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602545938 565853936 /nfs/dbraw/zinc/85/39/36/565853936.db2.gz SJWUJWKEUVRRQJ-UHFFFAOYSA-N 1 0 378.292 2.619 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000602541860 565854289 /nfs/dbraw/zinc/85/42/89/565854289.db2.gz RHFROWYESYDDQG-ZWNOBZJWSA-N 1 0 377.388 2.673 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000603240559 565891345 /nfs/dbraw/zinc/89/13/45/565891345.db2.gz YOSGAFCTLBAJPI-LLVKDONJSA-N 1 0 380.246 2.539 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135165 566068426 /nfs/dbraw/zinc/06/84/26/566068426.db2.gz LWFGSBSDSAUNPN-DGCLKSJQSA-N 1 0 375.878 2.742 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738369587 598674084 /nfs/dbraw/zinc/67/40/84/598674084.db2.gz JPZXJUHNSQFYQQ-HNNXBMFYSA-N 1 0 385.472 2.867 20 5 GFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698250 599543715 /nfs/dbraw/zinc/54/37/15/599543715.db2.gz RUBQDMCGGMLTTR-BETUJISGSA-N 1 0 396.455 2.998 20 5 GFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500864 608464883 /nfs/dbraw/zinc/46/48/83/608464883.db2.gz PAKULOHXVIURQV-UHFFFAOYSA-N 1 0 392.419 2.943 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000825973166 660446837 /nfs/dbraw/zinc/44/68/37/660446837.db2.gz QAQGERRHEFFSOE-GFCCVEGCSA-N 1 0 397.273 2.843 20 5 GFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000830021800 660630836 /nfs/dbraw/zinc/63/08/36/660630836.db2.gz JEZOMSOFLUJPIN-GOEBONIOSA-N 1 0 383.901 2.877 20 5 GFBDRO [NH3+]CCCCCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000831287768 660707694 /nfs/dbraw/zinc/70/76/94/660707694.db2.gz OVIVCNXNRYOWLE-UHFFFAOYSA-N 1 0 399.289 2.944 20 5 GFBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000123474460 654756993 /nfs/dbraw/zinc/75/69/93/654756993.db2.gz VGMAZYIBMPTKDX-JTQLQIEISA-N 1 0 375.256 2.901 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000124247269 654772691 /nfs/dbraw/zinc/77/26/91/654772691.db2.gz TYRBQYDAVUQGFY-ZDUSSCGKSA-N 1 0 387.889 2.663 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@H](C)C1 ZINC000124281438 654773707 /nfs/dbraw/zinc/77/37/07/654773707.db2.gz HDRVBFUKZFIOTJ-TZMCWYRMSA-N 1 0 389.905 2.907 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124283180 654773799 /nfs/dbraw/zinc/77/37/99/654773799.db2.gz AAJJBLZEGCXFJA-VXGBXAGGSA-N 1 0 375.878 2.660 20 5 GFBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000266455123 654880037 /nfs/dbraw/zinc/88/00/37/654880037.db2.gz XWVWLCUVZFRZHA-AWEZNQCLSA-N 1 0 383.290 2.574 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000273558377 655148241 /nfs/dbraw/zinc/14/82/41/655148241.db2.gz XSAXZJAYIPQUCH-LBPRGKRZSA-N 1 0 389.905 2.907 20 5 GFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000113354599 655208526 /nfs/dbraw/zinc/20/85/26/655208526.db2.gz KAXBIVBRPRXKSZ-UHFFFAOYSA-N 1 0 384.255 2.938 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000176725228 655253568 /nfs/dbraw/zinc/25/35/68/655253568.db2.gz GURUNOVWJPCMCF-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119369805 655301184 /nfs/dbraw/zinc/30/11/84/655301184.db2.gz REYUSVSWSVPCJS-UHFFFAOYSA-N 1 0 383.495 2.977 20 5 GFBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119373425 655301222 /nfs/dbraw/zinc/30/12/22/655301222.db2.gz VNIPPXZFRQCPEJ-UHFFFAOYSA-N 1 0 387.845 2.594 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179125798 655311763 /nfs/dbraw/zinc/31/17/63/655311763.db2.gz GHVROVJWEKZQER-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289245420 655344890 /nfs/dbraw/zinc/34/48/90/655344890.db2.gz WSHYEXPQQKUHLA-SECBINFHSA-N 1 0 382.269 2.616 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754987653 655877799 /nfs/dbraw/zinc/87/77/99/655877799.db2.gz LVBFEHDWKFSLKN-JTQLQIEISA-N 1 0 388.237 2.957 20 5 GFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000782161913 657107977 /nfs/dbraw/zinc/10/79/77/657107977.db2.gz FOZGAZOMXQOROL-UHFFFAOYSA-N 1 0 391.225 2.715 20 5 GFBDRO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000783724977 657254784 /nfs/dbraw/zinc/25/47/84/657254784.db2.gz ZNAURHWSHYVKRX-LBPRGKRZSA-N 1 0 386.290 2.634 20 5 GFBDRO Cc1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1Br ZINC000787897709 657618812 /nfs/dbraw/zinc/61/88/12/657618812.db2.gz AAKODAMVKQAVTO-CYBMUJFWSA-N 1 0 384.274 2.824 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000796117314 658893964 /nfs/dbraw/zinc/89/39/64/658893964.db2.gz XBJYWNBSJXKBFX-STQMWFEESA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161567 659077503 /nfs/dbraw/zinc/07/75/03/659077503.db2.gz BUADHIPXYKIFBF-GFCCVEGCSA-N 1 0 399.289 2.994 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798228637 659087365 /nfs/dbraw/zinc/08/73/65/659087365.db2.gz ODZJBGRFGDXQAW-NSHDSACASA-N 1 0 393.868 2.740 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[NH+]2CCCC2)c(Cl)cc1Cl ZINC000809807017 659939837 /nfs/dbraw/zinc/93/98/37/659939837.db2.gz ZKEGCZSVDMJQBV-UHFFFAOYSA-N 1 0 382.269 2.666 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809445 659940614 /nfs/dbraw/zinc/94/06/14/659940614.db2.gz XZCAIRDUTPZTLI-VXGBXAGGSA-N 1 0 394.280 2.807 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809823266 659943992 /nfs/dbraw/zinc/94/39/92/659943992.db2.gz KIJDIMYEQDPQFI-NXEZZACHSA-N 1 0 379.841 2.538 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000810127695 659964095 /nfs/dbraw/zinc/96/40/95/659964095.db2.gz DTDYRAJNACSNBX-LBPRGKRZSA-N 1 0 388.161 2.616 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOC2CCC2)c1 ZINC000810148089 659964691 /nfs/dbraw/zinc/96/46/91/659964691.db2.gz VLBLZNWDTXBVCT-UHFFFAOYSA-N 1 0 376.194 2.858 20 5 GFBDRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486916 660010258 /nfs/dbraw/zinc/01/02/58/660010258.db2.gz JRFXEHORJGSOGR-RNCFNFMXSA-N 1 0 396.296 2.709 20 5 GFBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841547193 661296085 /nfs/dbraw/zinc/29/60/85/661296085.db2.gz ZEGDRWLTHVJSFP-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000842862962 661357787 /nfs/dbraw/zinc/35/77/87/661357787.db2.gz BQEBECBTYJLWSJ-HAQNSBGRSA-N 1 0 375.878 2.600 20 5 GFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843450913 661381683 /nfs/dbraw/zinc/38/16/83/661381683.db2.gz CEDBUOSXQQQRLZ-FGWVZKOKSA-N 1 0 386.221 2.981 20 5 GFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850348813 661770991 /nfs/dbraw/zinc/77/09/91/661770991.db2.gz VKBDVYFTNJJKKD-XMMPIXPASA-N 1 0 376.303 2.597 20 5 GFBDRO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000851814137 661833908 /nfs/dbraw/zinc/83/39/08/661833908.db2.gz YDRVBXGCHLNVGV-UHFFFAOYSA-N 1 0 387.527 2.931 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866363591 662469105 /nfs/dbraw/zinc/46/91/05/662469105.db2.gz MRVLLSXHRFRESO-QWHCGFSZSA-N 1 0 384.274 2.889 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@@H]21 ZINC000867809185 662578161 /nfs/dbraw/zinc/57/81/61/662578161.db2.gz QCKJJZPWUAEWGZ-CABZTGNLSA-N 1 0 394.280 2.616 20 5 GFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000870259465 662681129 /nfs/dbraw/zinc/68/11/29/662681129.db2.gz STZRDHPXRNCENG-UHFFFAOYSA-N 1 0 397.273 2.843 20 5 GFBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872022837 662754101 /nfs/dbraw/zinc/75/41/01/662754101.db2.gz LRUFOCCSCHGGRS-LBPRGKRZSA-N 1 0 375.516 2.639 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877356534 662874207 /nfs/dbraw/zinc/87/42/07/662874207.db2.gz SGEXOKJVJHMXCX-JGVFFNPUSA-N 1 0 396.163 2.567 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878480101 662897143 /nfs/dbraw/zinc/89/71/43/662897143.db2.gz MDXHPUVDPQRKLW-LBPRGKRZSA-N 1 0 399.289 2.887 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000884957229 663079618 /nfs/dbraw/zinc/07/96/18/663079618.db2.gz MWQPGJKNILWOLN-VHSXEESVSA-N 1 0 394.280 2.807 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000889718263 663259484 /nfs/dbraw/zinc/25/94/84/663259484.db2.gz JCLRBKMEBDUYQE-INIZCTEOSA-N 1 0 397.273 2.595 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH2+]CCC12CCOCC2 ZINC000903820149 663807674 /nfs/dbraw/zinc/80/76/74/663807674.db2.gz VCNGUHDUMZFRKQ-UHFFFAOYSA-N 1 0 384.274 2.702 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806868 720073174 /nfs/dbraw/zinc/07/31/74/720073174.db2.gz DMTUBMCDRVJVHZ-KDOFPFPSSA-N 1 0 380.876 2.828 20 5 GFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721785 720373961 /nfs/dbraw/zinc/37/39/61/720373961.db2.gz BAPLPAKWXOVEEU-RBUKOAKNSA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870906 721046566 /nfs/dbraw/zinc/04/65/66/721046566.db2.gz XJQMUJCVHAOPOA-JKSUJKDBSA-N 1 0 389.843 2.518 20 5 GFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899720 721511112 /nfs/dbraw/zinc/51/11/12/721511112.db2.gz LYGFRUVHIBGWSJ-GXTWGEPZSA-N 1 0 393.806 2.519 20 5 GFBDRO COC(=O)c1nc(Cl)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165049701 721967193 /nfs/dbraw/zinc/96/71/93/721967193.db2.gz VHXUMBZPGIJHSG-GFCCVEGCSA-N 1 0 397.863 2.670 20 5 GFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151738461 551420598 /nfs/dbraw/zinc/42/05/98/551420598.db2.gz NFWRHEYBNIDKAD-AWEZNQCLSA-N 1 0 384.274 2.843 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153003295 551444914 /nfs/dbraw/zinc/44/49/14/551444914.db2.gz OOKSFJCNZQZLQK-NHYWBVRUSA-N 1 0 384.274 2.698 20 5 GFBDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000157150856 551533962 /nfs/dbraw/zinc/53/39/62/551533962.db2.gz IJDMSVVSYSBXHI-SNVBAGLBSA-N 1 0 394.225 2.925 20 5 GFBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000158054589 551546788 /nfs/dbraw/zinc/54/67/88/551546788.db2.gz IZTVHAXFIAELSW-SECBINFHSA-N 1 0 384.223 2.651 20 5 GFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000158597251 551554338 /nfs/dbraw/zinc/55/43/38/551554338.db2.gz UUUZQLBTSVYKHB-GFCCVEGCSA-N 1 0 387.889 2.886 20 5 GFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162076007 551603297 /nfs/dbraw/zinc/60/32/97/551603297.db2.gz OFGGENQOESIPJB-CYBMUJFWSA-N 1 0 398.301 2.994 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173954955 552095633 /nfs/dbraw/zinc/09/56/33/552095633.db2.gz DUCSNNUOIRQCOT-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176723428 552144463 /nfs/dbraw/zinc/14/44/63/552144463.db2.gz XZRIIYLNVKRJHP-AAEUAGOBSA-N 1 0 375.878 2.517 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000180161434 552215409 /nfs/dbraw/zinc/21/54/09/552215409.db2.gz KAHJCRWYJUUFGU-OLZOCXBDSA-N 1 0 387.889 2.661 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000181499810 552258057 /nfs/dbraw/zinc/25/80/57/552258057.db2.gz CIIILNUIWCVVDI-ZDUSSCGKSA-N 1 0 383.495 2.936 20 5 GFBDRO COCC[NH+]1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182388466 552282632 /nfs/dbraw/zinc/28/26/32/552282632.db2.gz LQISRBVHZXRDIO-UHFFFAOYSA-N 1 0 387.889 2.567 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000191928992 552543076 /nfs/dbraw/zinc/54/30/76/552543076.db2.gz RGYVEBZPLQRHPP-UHFFFAOYSA-N 1 0 383.857 2.706 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000193429556 552992882 /nfs/dbraw/zinc/99/28/82/552992882.db2.gz XFGDLSNINKSSAO-UHFFFAOYSA-N 1 0 381.841 2.638 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246508477 553109065 /nfs/dbraw/zinc/10/90/65/553109065.db2.gz YBNYBUMOSVYPBE-SMDDNHRTSA-N 1 0 375.878 2.599 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000564497021 564235367 /nfs/dbraw/zinc/23/53/67/564235367.db2.gz OPPGKQWLTJELHG-GFCCVEGCSA-N 1 0 398.204 2.501 20 5 GFBDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000294931815 563222163 /nfs/dbraw/zinc/22/21/63/563222163.db2.gz BRIPFDIDWBAQJM-AWEZNQCLSA-N 1 0 394.225 2.986 20 5 GFBDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295233226 563237603 /nfs/dbraw/zinc/23/76/03/563237603.db2.gz BWACTJBCPJVLLH-LLVKDONJSA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291605 563240644 /nfs/dbraw/zinc/24/06/44/563240644.db2.gz UEDILRKSBQVPGO-MWLCHTKSSA-N 1 0 396.296 2.862 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370539300 563247897 /nfs/dbraw/zinc/24/78/97/563247897.db2.gz LMEBZZDWKDNNHB-UHFFFAOYSA-N 1 0 399.289 2.691 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000425466087 563424051 /nfs/dbraw/zinc/42/40/51/563424051.db2.gz AXECEFZFEMJHCK-HOTGVXAUSA-N 1 0 385.258 2.767 20 5 GFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000331263165 563542760 /nfs/dbraw/zinc/54/27/60/563542760.db2.gz NMAYRKMLYLKWGG-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435628365 563655480 /nfs/dbraw/zinc/65/54/80/563655480.db2.gz QLSXEOLEUAUCBF-LBPRGKRZSA-N 1 0 399.289 2.760 20 5 GFBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000440801694 563750127 /nfs/dbraw/zinc/75/01/27/563750127.db2.gz IMZXTFGNUPFDFO-SECBINFHSA-N 1 0 382.269 2.651 20 5 GFBDRO Cc1c(Br)cc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294176270 563833249 /nfs/dbraw/zinc/83/32/49/563833249.db2.gz SVMPUOHDCPXJJX-UHFFFAOYSA-N 1 0 396.245 2.676 20 5 GFBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416548181 563846376 /nfs/dbraw/zinc/84/63/76/563846376.db2.gz AWVLNYFOCKDPND-UHFFFAOYSA-N 1 0 383.495 2.550 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000541386407 564276986 /nfs/dbraw/zinc/27/69/86/564276986.db2.gz JXZDARDDHPTYAF-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148554 564360421 /nfs/dbraw/zinc/36/04/21/564360421.db2.gz ZBJQFHMNLGAYCO-CHWSQXEVSA-N 1 0 389.905 2.895 20 5 GFBDRO C[C@]1(O)CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568495875 564421170 /nfs/dbraw/zinc/42/11/70/564421170.db2.gz IIGTXJLLLZJRPG-AWEZNQCLSA-N 1 0 390.221 2.936 20 5 GFBDRO C[NH+](C)CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000481070716 564502163 /nfs/dbraw/zinc/50/21/63/564502163.db2.gz HCZZXWQQXHFVMR-UHFFFAOYSA-N 1 0 399.289 2.569 20 5 GFBDRO C[N@H+](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000486748970 564665428 /nfs/dbraw/zinc/66/54/28/564665428.db2.gz OFHRHZNASZNZAH-LBPRGKRZSA-N 1 0 377.388 2.667 20 5 GFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934870 564778472 /nfs/dbraw/zinc/77/84/72/564778472.db2.gz KVCQRMUKOYMJAO-GHMZBOCLSA-N 1 0 389.237 2.724 20 5 GFBDRO C[C@@H](CCc1ccsc1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000462788547 564858843 /nfs/dbraw/zinc/85/88/43/564858843.db2.gz OVJLTILYJYXVIS-ZDUSSCGKSA-N 1 0 383.495 2.546 20 5 GFBDRO Cc1cc(Cl)ccc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000463741277 564889307 /nfs/dbraw/zinc/88/93/07/564889307.db2.gz ZIEPTUDQJCWXNM-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000584052988 564919080 /nfs/dbraw/zinc/91/90/80/564919080.db2.gz POGDFKOIIZXSCP-QWHCGFSZSA-N 1 0 387.889 2.567 20 5 GFBDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584689919 565091537 /nfs/dbraw/zinc/09/15/37/565091537.db2.gz LYVKWNBAPIORRA-LLVKDONJSA-N 1 0 378.210 2.554 20 5 GFBDRO COCC1([N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589258169 565159256 /nfs/dbraw/zinc/15/92/56/565159256.db2.gz KIQIWLMAESFNPW-UHFFFAOYSA-N 1 0 376.194 2.810 20 5 GFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000594591246 565401887 /nfs/dbraw/zinc/40/18/87/565401887.db2.gz JADHXFLLIACCLW-JGZJWPJOSA-N 1 0 375.210 2.952 20 5 GFBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCC[NH3+] ZINC000595119055 565450083 /nfs/dbraw/zinc/45/00/83/565450083.db2.gz ZURSTHUTDXFPAP-BXUZGUMPSA-N 1 0 375.878 2.776 20 5 GFBDRO C[NH+](C)CCC[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000595905409 565497800 /nfs/dbraw/zinc/49/78/00/565497800.db2.gz NRICBZFYXHHESS-HNNXBMFYSA-N 1 0 386.290 2.900 20 5 GFBDRO CSC1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[NH+](C)CC1 ZINC000597092551 565551297 /nfs/dbraw/zinc/55/12/97/565551297.db2.gz NLELMPFFVFFOJL-UHFFFAOYSA-N 1 0 387.893 2.779 20 5 GFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599974770 565709480 /nfs/dbraw/zinc/70/94/80/565709480.db2.gz FULHRNQVFOYYHT-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO Cn1ncc(Br)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000601292110 565774810 /nfs/dbraw/zinc/77/48/10/565774810.db2.gz KNKFOOJSEYBSNK-RYUDHWBXSA-N 1 0 383.250 2.561 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1Br ZINC000602616070 565858524 /nfs/dbraw/zinc/85/85/24/565858524.db2.gz HEJMLYMKKXGDFZ-LBPRGKRZSA-N 1 0 379.276 2.686 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000603407952 565903956 /nfs/dbraw/zinc/90/39/56/565903956.db2.gz JPSMRUXKFUPMRS-UHFFFAOYSA-N 1 0 385.262 2.808 20 5 GFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000609571048 566044298 /nfs/dbraw/zinc/04/42/98/566044298.db2.gz IXRAYBRUORDBEJ-CYBMUJFWSA-N 1 0 383.290 2.938 20 5 GFBDRO CC(C)C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000735769056 599263516 /nfs/dbraw/zinc/26/35/16/599263516.db2.gz FQQWPPAORROGOV-ZDUSSCGKSA-N 1 0 384.444 2.711 20 5 GFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698252 599543990 /nfs/dbraw/zinc/54/39/90/599543990.db2.gz RUBQDMCGGMLTTR-STQMWFEESA-N 1 0 396.455 2.998 20 5 GFBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824778011 607679732 /nfs/dbraw/zinc/67/97/32/607679732.db2.gz MNQHVMMHHQUAFE-ZDUSSCGKSA-N 1 0 394.439 2.807 20 5 GFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820728545 606138802 /nfs/dbraw/zinc/13/88/02/606138802.db2.gz XCJHSXXUXQWYHJ-HNNXBMFYSA-N 1 0 393.451 2.876 20 5 GFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826498480 608173357 /nfs/dbraw/zinc/17/33/57/608173357.db2.gz WRTZRFFTUHWYNF-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000826287952 608584853 /nfs/dbraw/zinc/58/48/53/608584853.db2.gz KMFHFVKPZJLLRG-UHFFFAOYSA-N 1 0 393.451 2.796 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000819275347 660253314 /nfs/dbraw/zinc/25/33/14/660253314.db2.gz SPFVVCAZDWIVBN-HNNXBMFYSA-N 1 0 383.246 2.657 20 5 GFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000834752348 660831849 /nfs/dbraw/zinc/83/18/49/660831849.db2.gz NOHRZWWKRAYNOM-UHFFFAOYSA-N 1 0 386.221 2.855 20 5 GFBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123051020 654751500 /nfs/dbraw/zinc/75/15/00/654751500.db2.gz BLHQCMDLDRABFW-JOYOIKCWSA-N 1 0 381.376 2.504 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000055591537 654779244 /nfs/dbraw/zinc/77/92/44/654779244.db2.gz NRTNRWZCPJRMGR-NEPJUHHUSA-N 1 0 375.878 2.647 20 5 GFBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000125480557 654796030 /nfs/dbraw/zinc/79/60/30/654796030.db2.gz DOOSEMYZKNRSEC-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242809 654864425 /nfs/dbraw/zinc/86/44/25/654864425.db2.gz ZSXCCVJGTJDNJY-UHFFFAOYSA-N 1 0 383.495 2.799 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266255395 654866843 /nfs/dbraw/zinc/86/68/43/654866843.db2.gz CLBKOTFNJLHEHO-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000103162030 655068321 /nfs/dbraw/zinc/06/83/21/655068321.db2.gz CSPWCSLASLILEA-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1Br ZINC000839492892 661087247 /nfs/dbraw/zinc/08/72/47/661087247.db2.gz DLHDDNRRJGQSGH-UHFFFAOYSA-N 1 0 377.238 2.977 20 5 GFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674373 661099545 /nfs/dbraw/zinc/09/95/45/661099545.db2.gz NXEITLGRVNNQHD-UHFFFAOYSA-N 1 0 386.290 2.900 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1Br ZINC000839497310 661087608 /nfs/dbraw/zinc/08/76/08/661087608.db2.gz HEOOPGHZERKJJS-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCOCC1 ZINC000839520264 661089885 /nfs/dbraw/zinc/08/98/85/661089885.db2.gz DFRHPEQJGISILZ-UHFFFAOYSA-N 1 0 387.230 2.559 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120559346 655339030 /nfs/dbraw/zinc/33/90/30/655339030.db2.gz SJQDYPFGOACOBK-LBPRGKRZSA-N 1 0 384.274 2.890 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000579778624 655504009 /nfs/dbraw/zinc/50/40/09/655504009.db2.gz SOUAGIQJZMLTCZ-MCIONIFRSA-N 1 0 388.205 2.857 20 5 GFBDRO Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nnc1[C@H]1CCC[NH2+]C1 ZINC000735487675 655647927 /nfs/dbraw/zinc/64/79/27/655647927.db2.gz UXJWXNYCALJEKQ-VIFPVBQESA-N 1 0 376.467 2.951 20 5 GFBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000752233378 655841117 /nfs/dbraw/zinc/84/11/17/655841117.db2.gz NBCUQRBQMNYBKC-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000766845096 656186176 /nfs/dbraw/zinc/18/61/76/656186176.db2.gz BQOMJMWQJLBTMX-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768845130 656255579 /nfs/dbraw/zinc/25/55/79/656255579.db2.gz ZNSOYPCVOJMCNT-AWEZNQCLSA-N 1 0 381.479 2.551 20 5 GFBDRO CC(C)[N@H+](C)CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790711431 658014866 /nfs/dbraw/zinc/01/48/66/658014866.db2.gz NQGVVXISZYSBPG-UHFFFAOYSA-N 1 0 399.289 2.765 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161546 659077508 /nfs/dbraw/zinc/07/75/08/659077508.db2.gz AVBXZYRJCDPNJU-RYUDHWBXSA-N 1 0 399.289 2.850 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000805113650 659742035 /nfs/dbraw/zinc/74/20/35/659742035.db2.gz MNGHVLPMVOZLBM-OLZOCXBDSA-N 1 0 387.889 2.804 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000809806799 659939948 /nfs/dbraw/zinc/93/99/48/659939948.db2.gz UHAYRLJIHTVPRK-UHFFFAOYSA-N 1 0 379.841 2.542 20 5 GFBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809810593 659940662 /nfs/dbraw/zinc/94/06/62/659940662.db2.gz DWRGQHGOZVAYHZ-UHFFFAOYSA-N 1 0 396.296 2.912 20 5 GFBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809815087 659941363 /nfs/dbraw/zinc/94/13/63/659941363.db2.gz PFNCRRTZXSONON-UHFFFAOYSA-N 1 0 382.269 2.618 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809820035 659942699 /nfs/dbraw/zinc/94/26/99/659942699.db2.gz LESHDNDHRMZOCH-QWRGUYRKSA-N 1 0 393.868 2.881 20 5 GFBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@@H+]1C ZINC000809821101 659942863 /nfs/dbraw/zinc/94/28/63/659942863.db2.gz HWZSHNXAZJOJLK-IUCAKERBSA-N 1 0 382.269 2.663 20 5 GFBDRO C[NH+](C)CC1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000809830752 659946364 /nfs/dbraw/zinc/94/63/64/659946364.db2.gz CIOQZEXLGVHMKY-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])O1 ZINC000811487260 660010230 /nfs/dbraw/zinc/01/02/30/660010230.db2.gz UTLIQZKRNKVDGU-DGCLKSJQSA-N 1 0 376.240 2.627 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000841982013 661319022 /nfs/dbraw/zinc/31/90/22/661319022.db2.gz MULOVODEEUZVDM-MNOVXSKESA-N 1 0 397.273 2.695 20 5 GFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000842012167 661319653 /nfs/dbraw/zinc/31/96/53/661319653.db2.gz YNERZAGSTNICJG-QWRGUYRKSA-N 1 0 397.273 2.552 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000842484273 661341593 /nfs/dbraw/zinc/34/15/93/661341593.db2.gz ZKECGAZFQWPYTE-KGLIPLIRSA-N 1 0 387.889 2.852 20 5 GFBDRO CN(Cc1nc(C2([NH3+])CCC2)no1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842619932 661345517 /nfs/dbraw/zinc/34/55/17/661345517.db2.gz HJEXXODPOITZJX-UHFFFAOYSA-N 1 0 382.218 2.715 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850589913 661782683 /nfs/dbraw/zinc/78/26/83/661782683.db2.gz QGKRYLBFKDIEKY-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000865843435 662447003 /nfs/dbraw/zinc/44/70/03/662447003.db2.gz NZRAQQAHMKFNNL-UHFFFAOYSA-N 1 0 382.258 2.597 20 5 GFBDRO C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000867307370 662541121 /nfs/dbraw/zinc/54/11/21/662541121.db2.gz ZCIWIZLXTIXFDW-NSHDSACASA-N 1 0 382.258 2.666 20 5 GFBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000867600129 662561866 /nfs/dbraw/zinc/56/18/66/662561866.db2.gz HPSAUHJRVZWQRA-UHFFFAOYSA-N 1 0 387.889 2.887 20 5 GFBDRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867864606 662584029 /nfs/dbraw/zinc/58/40/29/662584029.db2.gz GEMODBNPNKKMEA-UHFFFAOYSA-N 1 0 375.516 2.645 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000873323253 662805497 /nfs/dbraw/zinc/80/54/97/662805497.db2.gz OJJRWNBOLNNUPI-ZUZCIYMTSA-N 1 0 383.246 2.739 20 5 GFBDRO C[N@H+](CCCO)C1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881985683 663012442 /nfs/dbraw/zinc/01/24/42/663012442.db2.gz RKFGRUNEHGLAIU-UHFFFAOYSA-N 1 0 390.253 2.779 20 5 GFBDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000883315350 663053433 /nfs/dbraw/zinc/05/34/33/663053433.db2.gz IHDSWLNIDVMCFR-KLPPZKSPSA-N 1 0 376.194 2.714 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000889726080 663260971 /nfs/dbraw/zinc/26/09/71/663260971.db2.gz NQQPAJGRTMKJIW-AWEZNQCLSA-N 1 0 395.257 2.513 20 5 GFBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000889726945 663261444 /nfs/dbraw/zinc/26/14/44/663261444.db2.gz YQXVLFPBSGBACH-RISCZKNCSA-N 1 0 399.289 2.981 20 5 GFBDRO C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[NH+]2CCC1CC2 ZINC000892781202 663384363 /nfs/dbraw/zinc/38/43/63/663384363.db2.gz YRCGGPIGQPBPNR-MRXNPFEDSA-N 1 0 382.258 2.500 20 5 GFBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896138683 663542234 /nfs/dbraw/zinc/54/22/34/663542234.db2.gz SZEGEBWDSQNRNP-SECBINFHSA-N 1 0 394.230 2.881 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000915213887 664423962 /nfs/dbraw/zinc/42/39/62/664423962.db2.gz SGNHBNXMMJZUHZ-SSDOTTSWSA-N 1 0 377.195 2.636 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000929775052 664757658 /nfs/dbraw/zinc/75/76/58/664757658.db2.gz YLSJAZNJEFOGOK-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495595 664908886 /nfs/dbraw/zinc/90/88/86/664908886.db2.gz FBXRCXVOIWRQLW-SJORKVTESA-N 1 0 395.253 2.888 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC001164613772 719021307 /nfs/dbraw/zinc/02/13/07/719021307.db2.gz CZWYNXMQEZSAES-UHFFFAOYSA-N 1 0 396.875 2.887 20 5 GFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627163 719077576 /nfs/dbraw/zinc/07/75/76/719077576.db2.gz PNEBCMCPGIPYIY-IAGOWNOFSA-N 1 0 383.452 2.803 20 5 GFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164839416 720519944 /nfs/dbraw/zinc/51/99/44/720519944.db2.gz UDAWPBMUSJCJQU-PVAVHDDUSA-N 1 0 388.447 2.703 20 5 GFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC001164838470 720528930 /nfs/dbraw/zinc/52/89/30/720528930.db2.gz OADWRNZXEZSAKD-ZVZYQTTQSA-N 1 0 388.447 2.703 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870905 721047018 /nfs/dbraw/zinc/04/70/18/721047018.db2.gz XJQMUJCVHAOPOA-HZPDHXFCSA-N 1 0 389.843 2.518 20 5 GFBDRO Cc1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164767248 721104236 /nfs/dbraw/zinc/10/42/36/721104236.db2.gz LZZFVVAORYWLOU-GJZGRUSLSA-N 1 0 390.875 2.643 20 5 GFBDRO COc1ncnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792296 721495346 /nfs/dbraw/zinc/49/53/46/721495346.db2.gz NFFLJPNWRMVKDX-UHFFFAOYSA-N 1 0 398.467 2.669 20 5 GFBDRO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000026449834 551120961 /nfs/dbraw/zinc/12/09/61/551120961.db2.gz CKZWLBXSDIGTEF-UHFFFAOYSA-N 1 0 388.262 2.900 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000124278904 551313051 /nfs/dbraw/zinc/31/30/51/551313051.db2.gz GGLWSJWPNOERTI-WCQYABFASA-N 1 0 375.878 2.517 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000129743978 551359760 /nfs/dbraw/zinc/35/97/60/551359760.db2.gz UCRFDEWCZIIJED-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152853709 551441221 /nfs/dbraw/zinc/44/12/21/551441221.db2.gz ZYMQJWXJUVZSRI-JSGCOSHPSA-N 1 0 387.889 2.661 20 5 GFBDRO CC[NH+]1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000157422020 551537895 /nfs/dbraw/zinc/53/78/95/551537895.db2.gz AXHYYVNSQSEHFX-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000160590621 551582640 /nfs/dbraw/zinc/58/26/40/551582640.db2.gz IJZFRMULUWZESP-SECBINFHSA-N 1 0 384.223 2.521 20 5 GFBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000166312262 551631530 /nfs/dbraw/zinc/63/15/30/551631530.db2.gz BBFVQSNPUOKCPI-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000181118900 552247664 /nfs/dbraw/zinc/24/76/64/552247664.db2.gz ARMLVSKPNDZHQY-UHFFFAOYSA-N 1 0 389.905 2.788 20 5 GFBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237574652 553079535 /nfs/dbraw/zinc/07/95/35/553079535.db2.gz IYSUGBCSMFQQOE-GZMMTYOYSA-N 1 0 382.269 2.792 20 5 GFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247438375 553122029 /nfs/dbraw/zinc/12/20/29/553122029.db2.gz RUZUUCKNDOGBJD-XHDPSFHLSA-N 1 0 384.274 2.745 20 5 GFBDRO C[C@@H](CCCCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000294937807 563222265 /nfs/dbraw/zinc/22/22/65/563222265.db2.gz BZIMTRXEFITZOA-JTQLQIEISA-N 1 0 378.210 2.840 20 5 GFBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000373096960 563328718 /nfs/dbraw/zinc/32/87/18/563328718.db2.gz FIYAPKHXGWOLEK-JTQLQIEISA-N 1 0 388.287 2.977 20 5 GFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000280264315 563329516 /nfs/dbraw/zinc/32/95/16/563329516.db2.gz CHKJJMXRNOHVOU-SMDDNHRTSA-N 1 0 396.241 2.843 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374182483 563364710 /nfs/dbraw/zinc/36/47/10/563364710.db2.gz HZJXUZOACSYMOJ-AWEZNQCLSA-N 1 0 387.889 2.709 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000377883007 563490303 /nfs/dbraw/zinc/49/03/03/563490303.db2.gz HUDAGBLBZRQGPS-RNCFNFMXSA-N 1 0 394.280 2.616 20 5 GFBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000331940318 563568317 /nfs/dbraw/zinc/56/83/17/563568317.db2.gz MVTXYOFZWCBLRP-JKSUJKDBSA-N 1 0 383.901 2.829 20 5 GFBDRO CSc1cccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332084189 563575041 /nfs/dbraw/zinc/57/50/41/563575041.db2.gz PLWUWOAAVUQCRB-ZFWWWQNUSA-N 1 0 381.523 2.969 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCO1 ZINC000435387096 563648663 /nfs/dbraw/zinc/64/86/63/563648663.db2.gz XBSVZJONGZIVDH-CYBMUJFWSA-N 1 0 396.241 2.777 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCn2cccn2)c1 ZINC000289716581 563684059 /nfs/dbraw/zinc/68/40/59/563684059.db2.gz CPQGCRUHKYIZNK-UHFFFAOYSA-N 1 0 386.193 2.576 20 5 GFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)cs2)c1 ZINC000290219305 563701690 /nfs/dbraw/zinc/70/16/90/563701690.db2.gz WWFHUGVQRQPISG-LBPRGKRZSA-N 1 0 381.479 2.633 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363117027 563714751 /nfs/dbraw/zinc/71/47/51/563714751.db2.gz CQPGIYGLPLSJGX-PEYYIBSZSA-N 1 0 394.269 2.914 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000414589949 563747707 /nfs/dbraw/zinc/74/77/07/563747707.db2.gz XIICQOOGIRGVQG-GXFFZTMASA-N 1 0 390.221 2.840 20 5 GFBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291989145 563768414 /nfs/dbraw/zinc/76/84/14/563768414.db2.gz RUCXEEIGTSQFQQ-UHFFFAOYSA-N 1 0 389.283 2.611 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCSC1 ZINC000293266267 563806115 /nfs/dbraw/zinc/80/61/15/563806115.db2.gz QHQNWZMAUNCUGM-AWEZNQCLSA-N 1 0 377.388 2.781 20 5 GFBDRO CN1CCC[C@]2(CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1=O ZINC000368923699 563882417 /nfs/dbraw/zinc/88/24/17/563882417.db2.gz BRZYZIYNWIOUIO-MRXNPFEDSA-N 1 0 382.258 2.802 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563497772 564193253 /nfs/dbraw/zinc/19/32/53/564193253.db2.gz CQFAXNHJHQRXQY-HNNXBMFYSA-N 1 0 383.246 2.965 20 5 GFBDRO CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000542768384 564325550 /nfs/dbraw/zinc/32/55/50/564325550.db2.gz CQZAKDXVKQFJKX-JKSUJKDBSA-N 1 0 381.523 2.725 20 5 GFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480357545 564469206 /nfs/dbraw/zinc/46/92/06/564469206.db2.gz PMRUQFOBZOGFNM-BZNIZROVSA-N 1 0 387.889 2.569 20 5 GFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000456538240 564616319 /nfs/dbraw/zinc/61/63/19/564616319.db2.gz XEUBKKOXXDLGBG-LBPRGKRZSA-N 1 0 384.274 2.843 20 5 GFBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531698 564642501 /nfs/dbraw/zinc/64/25/01/564642501.db2.gz ONDJRUUNSDQUDN-STQMWFEESA-N 1 0 384.483 2.530 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000573841045 564656414 /nfs/dbraw/zinc/65/64/14/564656414.db2.gz GAVVUCULAXMYBZ-NWDGAFQWSA-N 1 0 382.258 2.819 20 5 GFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCn2cc(Br)cn2)n1 ZINC000490270671 564767135 /nfs/dbraw/zinc/76/71/35/564767135.db2.gz GIORYYGVHKWXSZ-KGLIPLIRSA-N 1 0 397.277 2.914 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000490533781 564775893 /nfs/dbraw/zinc/77/58/93/564775893.db2.gz GTYUCPKJISXADA-AWEZNQCLSA-N 1 0 394.280 2.618 20 5 GFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000492236452 564801018 /nfs/dbraw/zinc/80/10/18/564801018.db2.gz GXWZVXUVYIRFKI-OAHLLOKOSA-N 1 0 399.289 2.712 20 5 GFBDRO COc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)ccn1 ZINC000582575536 564853074 /nfs/dbraw/zinc/85/30/74/564853074.db2.gz VLSAVTFVLBBJGW-UHFFFAOYSA-N 1 0 399.188 2.893 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(I)cc3[N+](=O)[O-])C2)C1 ZINC000558953037 564918664 /nfs/dbraw/zinc/91/86/64/564918664.db2.gz KLZALAIDLVNDBD-AWEZNQCLSA-N 1 0 387.221 2.731 20 5 GFBDRO Cc1sc(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467416866 564962517 /nfs/dbraw/zinc/96/25/17/564962517.db2.gz CNDZIBWYDUGCCQ-UHFFFAOYSA-N 1 0 383.495 2.765 20 5 GFBDRO CC[N@@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000589256983 565157010 /nfs/dbraw/zinc/15/70/10/565157010.db2.gz AIIRHTHGTMWQAD-LLVKDONJSA-N 1 0 389.237 2.725 20 5 GFBDRO C[NH+](C)C1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589251530 565157173 /nfs/dbraw/zinc/15/71/73/565157173.db2.gz QLYQYSWIFXOAQS-UHFFFAOYSA-N 1 0 389.237 2.725 20 5 GFBDRO Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000591991648 565246259 /nfs/dbraw/zinc/24/62/59/565246259.db2.gz KOTOJWPANHKIKE-UHFFFAOYSA-N 1 0 384.274 2.967 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000592365387 565272975 /nfs/dbraw/zinc/27/29/75/565272975.db2.gz QWHJRYRTRQGQEK-UHFFFAOYSA-N 1 0 394.280 2.807 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390380 565274292 /nfs/dbraw/zinc/27/42/92/565274292.db2.gz HPOXESKWMZWKOO-STQMWFEESA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595115899 565449024 /nfs/dbraw/zinc/44/90/24/565449024.db2.gz MXHPTQJAAJFXIC-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000599543214 565688194 /nfs/dbraw/zinc/68/81/94/565688194.db2.gz MXEXECCQDOILQV-LBPRGKRZSA-N 1 0 382.258 2.915 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000602480297 565850925 /nfs/dbraw/zinc/85/09/25/565850925.db2.gz FTMDRFHPKXRXFF-DGCLKSJQSA-N 1 0 382.258 2.962 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000602541625 565853981 /nfs/dbraw/zinc/85/39/81/565853981.db2.gz QKDBRAGKCMMXMX-CABZTGNLSA-N 1 0 377.388 2.916 20 5 GFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609352663 566037122 /nfs/dbraw/zinc/03/71/22/566037122.db2.gz BYCAYZQATKVSSU-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO CC[C@@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610805438 566100154 /nfs/dbraw/zinc/10/01/54/566100154.db2.gz ZPNGWQACXNSHAO-ZDUSSCGKSA-N 1 0 383.495 2.546 20 5 GFBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737321203 598246910 /nfs/dbraw/zinc/24/69/10/598246910.db2.gz ZLRPTWSSFILLHU-INIZCTEOSA-N 1 0 383.412 2.925 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000823624939 607165553 /nfs/dbraw/zinc/16/55/53/607165553.db2.gz LLPMSTDSMMUYCN-UHFFFAOYSA-N 1 0 394.439 2.768 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000826498463 608570687 /nfs/dbraw/zinc/57/06/87/608570687.db2.gz VZLRZQHUNNTDGA-UHFFFAOYSA-N 1 0 395.423 2.650 20 5 GFBDRO C[NH2+]C[C@@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000842579656 661344144 /nfs/dbraw/zinc/34/41/44/661344144.db2.gz CUKDJLQHMUALOK-SSDOTTSWSA-N 1 0 388.165 2.572 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000817863900 660211020 /nfs/dbraw/zinc/21/10/20/660211020.db2.gz XFAZYEZNLPZWJK-UTUOFQBUSA-N 1 0 375.878 2.551 20 5 GFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825713949 660438984 /nfs/dbraw/zinc/43/89/84/660438984.db2.gz LWYPZTFYHZIFIW-UHFFFAOYSA-N 1 0 387.278 2.994 20 5 GFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000827855911 660519737 /nfs/dbraw/zinc/51/97/37/660519737.db2.gz KFBFRUJNPJUQKK-CYBMUJFWSA-N 1 0 386.290 2.900 20 5 GFBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000829567420 660601266 /nfs/dbraw/zinc/60/12/66/660601266.db2.gz UIGCYKKAAPDZHQ-UHFFFAOYSA-N 1 0 377.413 2.877 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[N@H+](C)C1CC1 ZINC000830371381 660650744 /nfs/dbraw/zinc/65/07/44/660650744.db2.gz APNMDUDGNNVKOH-QMMMGPOBSA-N 1 0 382.269 2.663 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830529557 660661529 /nfs/dbraw/zinc/66/15/29/660661529.db2.gz LNDMAJDASMBWJR-JTQLQIEISA-N 1 0 396.296 2.864 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000124131619 654771458 /nfs/dbraw/zinc/77/14/58/654771458.db2.gz LYCXBUGZQUXANW-LBPRGKRZSA-N 1 0 375.878 2.519 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124283429 654773749 /nfs/dbraw/zinc/77/37/49/654773749.db2.gz AAJJBLZEGCXFJA-NEPJUHHUSA-N 1 0 375.878 2.660 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000124378084 654775755 /nfs/dbraw/zinc/77/57/55/654775755.db2.gz HJPTYXHPYFAIOE-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215918 654963736 /nfs/dbraw/zinc/96/37/36/654963736.db2.gz PJOKYCNRTUZCDI-QPUJVOFHSA-N 1 0 386.221 2.709 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000273147732 655132148 /nfs/dbraw/zinc/13/21/48/655132148.db2.gz WJOFMIABSDOBIJ-CVEARBPZSA-N 1 0 381.226 2.714 20 5 GFBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173993961 655188947 /nfs/dbraw/zinc/18/89/47/655188947.db2.gz MXNVVMGPDXVCIB-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176938540 655262873 /nfs/dbraw/zinc/26/28/73/655262873.db2.gz QEMYFGZDRKMZQB-UHFFFAOYSA-N 1 0 387.889 2.934 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118994366 655286104 /nfs/dbraw/zinc/28/61/04/655286104.db2.gz PEJYZWKFPLTSQT-CZUORRHYSA-N 1 0 396.285 2.843 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000120104699 655327946 /nfs/dbraw/zinc/32/79/46/655327946.db2.gz WGGFAQDPBKCSPM-UHFFFAOYSA-N 1 0 387.527 2.933 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574870048 655432483 /nfs/dbraw/zinc/43/24/83/655432483.db2.gz QTIVMTSZPAJGNM-MRXNPFEDSA-N 1 0 382.258 2.502 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCN2CC=CCC2)c1 ZINC000577546856 655461592 /nfs/dbraw/zinc/46/15/92/655461592.db2.gz IEOIUYIOBLLHFH-UHFFFAOYSA-N 1 0 387.221 2.551 20 5 GFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000763618934 656088480 /nfs/dbraw/zinc/08/84/80/656088480.db2.gz JNDPMTUDXOGYPT-UHFFFAOYSA-N 1 0 377.894 2.991 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769907794 656299776 /nfs/dbraw/zinc/29/97/76/656299776.db2.gz MGCGBICYDCYNGO-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000779873008 656952070 /nfs/dbraw/zinc/95/20/70/656952070.db2.gz OZFFSQILSRWBIE-UHFFFAOYSA-N 1 0 375.878 2.711 20 5 GFBDRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000783620445 657247574 /nfs/dbraw/zinc/24/75/74/657247574.db2.gz OPHVVOHKQBYGSS-UHFFFAOYSA-N 1 0 384.841 2.820 20 5 GFBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000798224342 659083837 /nfs/dbraw/zinc/08/38/37/659083837.db2.gz JMVDMXQOAKBIFF-UHFFFAOYSA-N 1 0 384.285 2.912 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000805111312 659741484 /nfs/dbraw/zinc/74/14/84/659741484.db2.gz UITQVUYOGDRDKT-GXTWGEPZSA-N 1 0 387.889 2.804 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813539 659941029 /nfs/dbraw/zinc/94/10/29/659941029.db2.gz ZKEWMAFNPWXHFX-SNVBAGLBSA-N 1 0 396.296 2.912 20 5 GFBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809833103 659947009 /nfs/dbraw/zinc/94/70/09/659947009.db2.gz VNDXMKKOEWCSJP-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000809836469 659947502 /nfs/dbraw/zinc/94/75/02/659947502.db2.gz MCTSFBSBRPOOSE-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000815003334 660100720 /nfs/dbraw/zinc/10/07/20/660100720.db2.gz OZBYVJZAFYQXNC-LLVKDONJSA-N 1 0 393.868 2.786 20 5 GFBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000817151592 660183959 /nfs/dbraw/zinc/18/39/59/660183959.db2.gz VDNIIIKVBCVJFZ-SECBINFHSA-N 1 0 382.269 2.616 20 5 GFBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000817151593 660183991 /nfs/dbraw/zinc/18/39/91/660183991.db2.gz VDNIIIKVBCVJFZ-VIFPVBQESA-N 1 0 382.269 2.616 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842482920 661341628 /nfs/dbraw/zinc/34/16/28/661341628.db2.gz XJOOOXRECIQYPY-JSGCOSHPSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000846233082 661539502 /nfs/dbraw/zinc/53/95/02/661539502.db2.gz XSGIHUYUSYCTOC-NWDGAFQWSA-N 1 0 375.878 2.695 20 5 GFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4(Br)CC4)CC3)nc2c1 ZINC000846861424 661567895 /nfs/dbraw/zinc/56/78/95/661567895.db2.gz UWORUYKUSRSISP-UHFFFAOYSA-N 1 0 394.273 2.911 20 5 GFBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850520618 661780824 /nfs/dbraw/zinc/78/08/24/661780824.db2.gz XBWIVDZVOGVXNR-JTQLQIEISA-N 1 0 384.376 2.621 20 5 GFBDRO CN(C)C(=O)N(C)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852653031 661869460 /nfs/dbraw/zinc/86/94/60/661869460.db2.gz JMWZOKZJTIQZCS-LBPRGKRZSA-N 1 0 385.262 2.545 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855161113 661974300 /nfs/dbraw/zinc/97/43/00/661974300.db2.gz LBWLYULTJHSBQF-SNVBAGLBSA-N 1 0 385.262 2.603 20 5 GFBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000856750780 662041644 /nfs/dbraw/zinc/04/16/44/662041644.db2.gz URLQOHNLWBUFOS-ZDUSSCGKSA-N 1 0 384.274 2.906 20 5 GFBDRO CCC[NH+]1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864577577 662380432 /nfs/dbraw/zinc/38/04/32/662380432.db2.gz DVJQATRHJFOIKC-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000864883449 662389452 /nfs/dbraw/zinc/38/94/52/662389452.db2.gz AAUGYPNZPGDTCZ-UONOGXRCSA-N 1 0 382.258 2.643 20 5 GFBDRO COCCN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000865996049 662455680 /nfs/dbraw/zinc/45/56/80/662455680.db2.gz FXJWKAUVAMGPHQ-UHFFFAOYSA-N 1 0 387.278 2.547 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044056 662458344 /nfs/dbraw/zinc/45/83/44/662458344.db2.gz OOAVYFJQQKAGDT-FZMZJTMJSA-N 1 0 384.274 2.698 20 5 GFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310486 662541310 /nfs/dbraw/zinc/54/13/10/662541310.db2.gz ZPFIEJHGXWKIOA-LDYMZIIASA-N 1 0 382.269 2.615 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cn1 ZINC000877129005 662871481 /nfs/dbraw/zinc/87/14/81/662871481.db2.gz GNPLAANCJQKCHF-INMHGKMJSA-N 1 0 380.539 2.928 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878480100 662897230 /nfs/dbraw/zinc/89/72/30/662897230.db2.gz MDXHPUVDPQRKLW-GFCCVEGCSA-N 1 0 399.289 2.887 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879022970 662913626 /nfs/dbraw/zinc/91/36/26/662913626.db2.gz DPLLBOPGMIFXGJ-ZWNOBZJWSA-N 1 0 383.246 2.915 20 5 GFBDRO CC[NH+]1CCC(CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883281597 663052273 /nfs/dbraw/zinc/05/22/73/663052273.db2.gz RECRPIFXXILINU-UHFFFAOYSA-N 1 0 399.289 2.888 20 5 GFBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000900586968 663717421 /nfs/dbraw/zinc/71/74/21/663717421.db2.gz JAFTYZRNPPXVDF-UHFFFAOYSA-N 1 0 382.219 2.691 20 5 GFBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(Br)n1 ZINC000903188651 663777616 /nfs/dbraw/zinc/77/76/16/663777616.db2.gz UWAYHQIXPKDFLG-VXGBXAGGSA-N 1 0 383.250 2.561 20 5 GFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085660 664722338 /nfs/dbraw/zinc/72/23/38/664722338.db2.gz JLYBXCSTGLEUBD-HIFRSBDPSA-N 1 0 387.864 2.626 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683872 719617496 /nfs/dbraw/zinc/61/74/96/719617496.db2.gz LBFBYAYJTFFLLP-UHFFFAOYSA-N 1 0 378.864 2.623 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1 ZINC001164911441 721526656 /nfs/dbraw/zinc/52/66/56/721526656.db2.gz WSFUSIVHBOKUHH-GDBMZVCRSA-N 1 0 376.363 2.610 20 5 GFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001165011205 721735339 /nfs/dbraw/zinc/73/53/39/721735339.db2.gz PJQISIAOLUSEBQ-UHFFFAOYSA-N 1 0 397.479 2.666 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001165025518 721815725 /nfs/dbraw/zinc/81/57/25/721815725.db2.gz NDFSJVCPKLZUTH-QILLFSRXSA-N 1 0 382.468 2.704 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)cc1 ZINC001165055278 722017015 /nfs/dbraw/zinc/01/70/15/722017015.db2.gz OLFLRQRDKXWDQK-UHFFFAOYSA-N 1 0 390.447 2.812 20 5 GFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1-c1ccccc1 ZINC001164968283 722077064 /nfs/dbraw/zinc/07/70/64/722077064.db2.gz ZPYMZCHNYMTCHC-HDICACEKSA-N 1 0 380.448 2.956 20 5 GFBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000106479275 551200130 /nfs/dbraw/zinc/20/01/30/551200130.db2.gz BZADMMYEABDIJT-AWEZNQCLSA-N 1 0 383.290 2.574 20 5 GFBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000127563259 551342021 /nfs/dbraw/zinc/34/20/21/551342021.db2.gz MPFPOYJDHSPWNU-PWSUYJOCSA-N 1 0 382.258 2.641 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000131052002 551371683 /nfs/dbraw/zinc/37/16/83/551371683.db2.gz OKLHLCBUQGVAOL-AWEZNQCLSA-N 1 0 381.226 2.887 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000151810041 551421391 /nfs/dbraw/zinc/42/13/91/551421391.db2.gz SDSUPPFPEABILG-UHFFFAOYSA-N 1 0 389.905 2.955 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000158940083 551558966 /nfs/dbraw/zinc/55/89/66/551558966.db2.gz GFYLQHOCUVTHBP-UHFFFAOYSA-N 1 0 387.527 2.933 20 5 GFBDRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583049 552088931 /nfs/dbraw/zinc/08/89/31/552088931.db2.gz ATZDGYRAUDXKCX-AAEUAGOBSA-N 1 0 383.246 2.608 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173626841 552089358 /nfs/dbraw/zinc/08/93/58/552089358.db2.gz STZGWTJSPMEJKI-ZDUSSCGKSA-N 1 0 387.889 2.745 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000183728740 552318189 /nfs/dbraw/zinc/31/81/89/552318189.db2.gz NHKJSXZPTAOPMW-VXGBXAGGSA-N 1 0 375.878 2.660 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000191368050 552526586 /nfs/dbraw/zinc/52/65/86/552526586.db2.gz HWHYTCAHPSVLMV-SNVBAGLBSA-N 1 0 389.886 2.939 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246370519 553107268 /nfs/dbraw/zinc/10/72/68/553107268.db2.gz LQABRIXGWWFRLF-UONOGXRCSA-N 1 0 387.527 2.931 20 5 GFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000262423892 553171010 /nfs/dbraw/zinc/17/10/10/553171010.db2.gz BWXDGAXIUIHWNO-SECBINFHSA-N 1 0 386.239 2.815 20 5 GFBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295229169 563236969 /nfs/dbraw/zinc/23/69/69/563236969.db2.gz BJYJLZCGNUSSHM-NSHDSACASA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291599 563240585 /nfs/dbraw/zinc/24/05/85/563240585.db2.gz UEDILRKSBQVPGO-GXSJLCMTSA-N 1 0 396.296 2.862 20 5 GFBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420457199 563263712 /nfs/dbraw/zinc/26/37/12/563263712.db2.gz HSELFQJFGXHPHF-AWEZNQCLSA-N 1 0 383.857 2.789 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234017 563268980 /nfs/dbraw/zinc/26/89/80/563268980.db2.gz BKZSGDPPFOCYSG-CZUORRHYSA-N 1 0 396.285 2.890 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000372960555 563323457 /nfs/dbraw/zinc/32/34/57/563323457.db2.gz GKJLAJDKEHMRPE-SNVBAGLBSA-N 1 0 386.221 2.807 20 5 GFBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC000373523239 563341763 /nfs/dbraw/zinc/34/17/63/563341763.db2.gz ULLVUSZBDVCUOX-LLVKDONJSA-N 1 0 381.841 2.890 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375059515 563389004 /nfs/dbraw/zinc/38/90/04/563389004.db2.gz JTTUSMAALMNYNX-ABAIWWIYSA-N 1 0 382.258 2.832 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000301203270 563396601 /nfs/dbraw/zinc/39/66/01/563396601.db2.gz XLMAPOPKUPDSSH-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c1 ZINC000375987426 563426580 /nfs/dbraw/zinc/42/65/80/563426580.db2.gz KATKUXZRRZYTRK-OLZOCXBDSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000377966225 563492429 /nfs/dbraw/zinc/49/24/29/563492429.db2.gz YFVHYWSMPDOENB-UHFFFAOYSA-N 1 0 387.889 2.685 20 5 GFBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000404606158 563536812 /nfs/dbraw/zinc/53/68/12/563536812.db2.gz LVBXWYNXWZOYAS-UHFFFAOYSA-N 1 0 383.857 2.755 20 5 GFBDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438833739 563711898 /nfs/dbraw/zinc/71/18/98/563711898.db2.gz IRAGXXUNUIHDBI-MRXNPFEDSA-N 1 0 397.273 2.825 20 5 GFBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291444391 563743908 /nfs/dbraw/zinc/74/39/08/563743908.db2.gz JEZJMMTVUUNXLY-UHFFFAOYSA-N 1 0 376.240 2.744 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000366940402 563825002 /nfs/dbraw/zinc/82/50/02/563825002.db2.gz HMUACJAKNNOSAE-CYBMUJFWSA-N 1 0 387.889 2.709 20 5 GFBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416657544 563858821 /nfs/dbraw/zinc/85/88/21/563858821.db2.gz DJQRVGVZFQWOBW-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000368822704 563879320 /nfs/dbraw/zinc/87/93/20/563879320.db2.gz MKUSIXNXUVMABO-UHFFFAOYSA-N 1 0 381.479 2.599 20 5 GFBDRO CSC1(CNc2ncc([N+](=O)[O-])cc2Br)CC[NH+](C)CC1 ZINC000569417544 564462822 /nfs/dbraw/zinc/46/28/22/564462822.db2.gz RJBDPNKTTOEMGE-UHFFFAOYSA-N 1 0 375.292 2.992 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000515522428 564481028 /nfs/dbraw/zinc/48/10/28/564481028.db2.gz CUTAIKJYRQYHGZ-CHWSQXEVSA-N 1 0 389.905 2.895 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000517782394 564542077 /nfs/dbraw/zinc/54/20/77/564542077.db2.gz JXBWXVQNOJAJAI-UHFFFAOYSA-N 1 0 383.857 2.617 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575749963 564703223 /nfs/dbraw/zinc/70/32/23/564703223.db2.gz HJLVCFWQXRBDAJ-ZIAGYGMSSA-N 1 0 396.285 2.748 20 5 GFBDRO CC(=O)NC1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459553372 564750522 /nfs/dbraw/zinc/75/05/22/564750522.db2.gz GEVSPLVNOANJSJ-UHFFFAOYSA-N 1 0 394.225 2.938 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(Cl)cc2)cc1 ZINC000558119579 564893105 /nfs/dbraw/zinc/89/31/05/564893105.db2.gz JRWGIDBFZOPBRA-UHFFFAOYSA-N 1 0 384.841 2.691 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000561405442 564994103 /nfs/dbraw/zinc/99/41/03/564994103.db2.gz GWCABSUIQUCFLG-LBPRGKRZSA-N 1 0 387.221 2.526 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000584834819 565100419 /nfs/dbraw/zinc/10/04/19/565100419.db2.gz YNSMZOGZOCXXRZ-ZDUSSCGKSA-N 1 0 397.225 2.592 20 5 GFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000588987073 565147177 /nfs/dbraw/zinc/14/71/77/565147177.db2.gz XLRCTKPHJPIXAW-UHFFFAOYSA-N 1 0 383.246 2.955 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789714 565421376 /nfs/dbraw/zinc/42/13/76/565421376.db2.gz KHFWXRLZABABMI-NSHDSACASA-N 1 0 375.878 2.647 20 5 GFBDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596065625 565511922 /nfs/dbraw/zinc/51/19/22/565511922.db2.gz HWDIQBSHFKPGQR-ZBFHGGJFSA-N 1 0 397.273 2.526 20 5 GFBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000601497008 565787183 /nfs/dbraw/zinc/78/71/83/565787183.db2.gz LZGARZOVGHFVER-UHFFFAOYSA-N 1 0 387.889 2.887 20 5 GFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000601978557 565811892 /nfs/dbraw/zinc/81/18/92/565811892.db2.gz YTGSLXMMOGCGOH-LBPRGKRZSA-N 1 0 384.274 2.794 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000602480299 565851708 /nfs/dbraw/zinc/85/17/08/565851708.db2.gz FTMDRFHPKXRXFF-YPMHNXCESA-N 1 0 382.258 2.962 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1Br ZINC000602568252 565854954 /nfs/dbraw/zinc/85/49/54/565854954.db2.gz KPKLXXPWDPFUAG-SECBINFHSA-N 1 0 375.244 2.953 20 5 GFBDRO O=C(NCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC000602574131 565855004 /nfs/dbraw/zinc/85/50/04/565855004.db2.gz XLFGOGJYWUMVAY-UHFFFAOYSA-N 1 0 376.276 2.815 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1Br ZINC000602637312 565859764 /nfs/dbraw/zinc/85/97/64/565859764.db2.gz MGKZWGICCWOWJD-UHFFFAOYSA-N 1 0 398.286 2.967 20 5 GFBDRO C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820726756 599109961 /nfs/dbraw/zinc/10/99/61/599109961.db2.gz BKUHPFZBCWECHN-OAHLLOKOSA-N 1 0 393.451 2.876 20 5 GFBDRO CC1(C)CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000736214316 598246125 /nfs/dbraw/zinc/24/61/25/598246125.db2.gz QNGOLEFYYZNFMH-UHFFFAOYSA-N 1 0 393.451 2.876 20 5 GFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092083 606808524 /nfs/dbraw/zinc/80/85/24/606808524.db2.gz HDGBMOUGTLFEIT-ZDUSSCGKSA-N 1 0 396.455 2.713 20 5 GFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826293272 608485198 /nfs/dbraw/zinc/48/51/98/608485198.db2.gz IYHOURFNLNYXAV-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826499461 608570680 /nfs/dbraw/zinc/57/06/80/608570680.db2.gz JJPUPLWJPXMMTN-UHFFFAOYSA-N 1 0 395.423 2.650 20 5 GFBDRO O=[N+]([O-])c1ccsc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500798 608866467 /nfs/dbraw/zinc/86/64/67/608866467.db2.gz MQBXEHYHOVVHBC-UHFFFAOYSA-N 1 0 385.453 2.549 20 5 GFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000819719457 660267843 /nfs/dbraw/zinc/26/78/43/660267843.db2.gz VERRORAQXXJTRZ-TVQRCGJNSA-N 1 0 386.221 2.663 20 5 GFBDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000822788218 660354375 /nfs/dbraw/zinc/35/43/75/660354375.db2.gz DAVBHOVROWKVQX-NSHDSACASA-N 1 0 382.258 2.584 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000827295940 660487929 /nfs/dbraw/zinc/48/79/29/660487929.db2.gz CISRDMPPWPPXRM-BXKDBHETSA-N 1 0 386.221 2.663 20 5 GFBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000122881705 654745624 /nfs/dbraw/zinc/74/56/24/654745624.db2.gz HNUZVKYWZIXRMQ-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000123248845 654754307 /nfs/dbraw/zinc/75/43/07/654754307.db2.gz ASRKDMAGSMSAJU-UHFFFAOYSA-N 1 0 387.483 2.619 20 5 GFBDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123996508 654768126 /nfs/dbraw/zinc/76/81/26/654768126.db2.gz IEASLQQVPULJJK-RYUDHWBXSA-N 1 0 399.289 2.710 20 5 GFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000838144526 661030388 /nfs/dbraw/zinc/03/03/88/661030388.db2.gz OYJMNGPLLQCNMN-SNVBAGLBSA-N 1 0 388.237 2.958 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267939693 654953105 /nfs/dbraw/zinc/95/31/05/654953105.db2.gz RJMFWJQWFLAINA-JTQLQIEISA-N 1 0 388.237 2.910 20 5 GFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215921 654963774 /nfs/dbraw/zinc/96/37/74/654963774.db2.gz PJOKYCNRTUZCDI-UFBFGSQYSA-N 1 0 386.221 2.709 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272554792 655116097 /nfs/dbraw/zinc/11/60/97/655116097.db2.gz RLNYRUBWJPWSEM-LBPRGKRZSA-N 1 0 389.905 2.907 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000273525552 655146480 /nfs/dbraw/zinc/14/64/80/655146480.db2.gz PHBJGIBFXCEXBU-LLVKDONJSA-N 1 0 375.878 2.599 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173923428 655185851 /nfs/dbraw/zinc/18/58/51/655185851.db2.gz UXHQQDGWBXMQQU-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277003977 655297768 /nfs/dbraw/zinc/29/77/68/655297768.db2.gz KJINFMMUJMKWMC-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000119368070 655300949 /nfs/dbraw/zinc/30/09/49/655300949.db2.gz WYDDQZDSUMMEGE-UHFFFAOYSA-N 1 0 381.479 2.731 20 5 GFBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000289437419 655349200 /nfs/dbraw/zinc/34/92/00/655349200.db2.gz FOZQNSGQLSAPKF-JOYOIKCWSA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160743 661240162 /nfs/dbraw/zinc/24/01/62/661240162.db2.gz FWLPVLIRKNSQAK-LDYMZIIASA-N 1 0 387.234 2.592 20 5 GFBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000794050341 658481354 /nfs/dbraw/zinc/48/13/54/658481354.db2.gz GELYKDAAPDQALS-CYBMUJFWSA-N 1 0 381.479 2.728 20 5 GFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798164412 659077335 /nfs/dbraw/zinc/07/73/35/659077335.db2.gz KSMUDSFWWBGDEP-LLVKDONJSA-N 1 0 399.289 2.993 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164286 659077513 /nfs/dbraw/zinc/07/75/13/659077513.db2.gz JFDJYLNKDMQHMW-QWRGUYRKSA-N 1 0 385.262 2.603 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1Cl ZINC000798226433 659085692 /nfs/dbraw/zinc/08/56/92/659085692.db2.gz MAPYIWKVTXPYDI-NSHDSACASA-N 1 0 391.852 2.636 20 5 GFBDRO [NH3+]CCN(Cc1nc2ccccn2c1Br)c1ccccc1[N+](=O)[O-] ZINC000809728069 659937383 /nfs/dbraw/zinc/93/73/83/659937383.db2.gz JDXJPTIIBXKHHX-UHFFFAOYSA-N 1 0 390.241 2.970 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809823269 659943954 /nfs/dbraw/zinc/94/39/54/659943954.db2.gz KIJDIMYEQDPQFI-ZJUUUORDSA-N 1 0 379.841 2.538 20 5 GFBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000810091238 659961138 /nfs/dbraw/zinc/96/11/38/659961138.db2.gz LWYITAIZINPKAI-SECBINFHSA-N 1 0 384.285 2.909 20 5 GFBDRO CC1(O)CCC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000810147196 659964696 /nfs/dbraw/zinc/96/46/96/659964696.db2.gz GXELAVOJGXQDGO-UHFFFAOYSA-N 1 0 390.221 2.983 20 5 GFBDRO C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000815023805 660103236 /nfs/dbraw/zinc/10/32/36/660103236.db2.gz IZAGSLBWWJWXNH-VIFPVBQESA-N 1 0 381.857 2.642 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546267 661295324 /nfs/dbraw/zinc/29/53/24/661295324.db2.gz KAOFEOWLODELLK-JTQLQIEISA-N 1 0 396.296 2.912 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843097394 661367673 /nfs/dbraw/zinc/36/76/73/661367673.db2.gz YVUJCZGFPLTWLO-CVEARBPZSA-N 1 0 381.226 2.714 20 5 GFBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000846233388 661539581 /nfs/dbraw/zinc/53/95/81/661539581.db2.gz IWFMBDOYELILQF-UHFFFAOYSA-N 1 0 383.857 2.755 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850590059 661782665 /nfs/dbraw/zinc/78/26/65/661782665.db2.gz UJQJUQBYAJSKBY-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000853661529 661896478 /nfs/dbraw/zinc/89/64/78/661896478.db2.gz XGLJKENHUNHRCH-UHFFFAOYSA-N 1 0 386.290 2.934 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044055 662458264 /nfs/dbraw/zinc/45/82/64/662458264.db2.gz OOAVYFJQQKAGDT-BXUZGUMPSA-N 1 0 384.274 2.698 20 5 GFBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cc(Br)ccc1=O ZINC000866367177 662469179 /nfs/dbraw/zinc/46/91/79/662469179.db2.gz WGVBBEOXZBWOOU-LLVKDONJSA-N 1 0 398.232 2.879 20 5 GFBDRO CC[C@@H]1[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@@H+]1C ZINC000868142177 662595998 /nfs/dbraw/zinc/59/59/98/662595998.db2.gz MCINVKZCLVQQMH-SWLSCSKDSA-N 1 0 396.285 2.972 20 5 GFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000868634080 662612981 /nfs/dbraw/zinc/61/29/81/662612981.db2.gz OOSILSFBIDQUJP-QGZVFWFLSA-N 1 0 396.285 2.844 20 5 GFBDRO COC(=O)N1CCC(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000877519684 662877727 /nfs/dbraw/zinc/87/77/27/662877727.db2.gz UJFUHJWRBKXSNG-UHFFFAOYSA-N 1 0 392.275 2.987 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879519201 662928292 /nfs/dbraw/zinc/92/82/92/662928292.db2.gz OYJQYEHEZJGISS-HZMBPMFUSA-N 1 0 383.246 2.915 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000881933064 663010261 /nfs/dbraw/zinc/01/02/61/663010261.db2.gz KFPOIHDFBHMHOZ-AAEUAGOBSA-N 1 0 375.878 2.517 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883134191 663050196 /nfs/dbraw/zinc/05/01/96/663050196.db2.gz REYHXHGHQQFXCN-KGLIPLIRSA-N 1 0 397.273 2.783 20 5 GFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000895611003 663520916 /nfs/dbraw/zinc/52/09/16/663520916.db2.gz NZJKMTLTLNWVIY-STQMWFEESA-N 1 0 391.287 2.803 20 5 GFBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991681 663536276 /nfs/dbraw/zinc/53/62/76/663536276.db2.gz YRLOKBBKJHYVRE-BDAKNGLRSA-N 1 0 392.214 2.634 20 5 GFBDRO C[NH+]1CCC(CCO)(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000901347466 663734394 /nfs/dbraw/zinc/73/43/94/663734394.db2.gz XMEBQKXHJPDZQX-UHFFFAOYSA-N 1 0 394.230 2.617 20 5 GFBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000913677381 664348871 /nfs/dbraw/zinc/34/88/71/664348871.db2.gz MXTLJBXJPSWGPW-UHFFFAOYSA-N 1 0 394.230 2.569 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1Cl ZINC000919277138 664510658 /nfs/dbraw/zinc/51/06/58/664510658.db2.gz MGHWVDMLWWMJDU-AWEZNQCLSA-N 1 0 378.809 2.582 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000923348060 664628801 /nfs/dbraw/zinc/62/88/01/664628801.db2.gz BPFRYBZPNDPWMM-INIZCTEOSA-N 1 0 377.242 2.899 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000930672569 664775709 /nfs/dbraw/zinc/77/57/09/664775709.db2.gz BERXXRKWTROQRT-UHFFFAOYSA-N 1 0 398.301 2.684 20 5 GFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000931076189 664784574 /nfs/dbraw/zinc/78/45/74/664784574.db2.gz OBNMMZORUQALPA-OAHLLOKOSA-N 1 0 386.290 2.900 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810910 720087079 /nfs/dbraw/zinc/08/70/79/720087079.db2.gz MFRVNEAYWPQANH-IIBYNOLFSA-N 1 0 397.479 2.723 20 5 GFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164712942 720104123 /nfs/dbraw/zinc/10/41/23/720104123.db2.gz YZWRVORRSKGRCC-SFHVURJKSA-N 1 0 397.479 2.892 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164840343 720695691 /nfs/dbraw/zinc/69/56/91/720695691.db2.gz DDLLWDHUSYNZQZ-QGZVFWFLSA-N 1 0 397.479 2.832 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870902 721047144 /nfs/dbraw/zinc/04/71/44/721047144.db2.gz XJQMUJCVHAOPOA-CVEARBPZSA-N 1 0 389.843 2.518 20 5 GFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867119 721048973 /nfs/dbraw/zinc/04/89/73/721048973.db2.gz HYQGGYWQVFCBDN-LSDHHAIUSA-N 1 0 389.843 2.518 20 5 GFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901319 721520487 /nfs/dbraw/zinc/52/04/87/721520487.db2.gz WOPRPYVDAPMYNN-GDBMZVCRSA-N 1 0 376.363 2.610 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001165024762 721816274 /nfs/dbraw/zinc/81/62/74/721816274.db2.gz KOUXLXASQGYPPN-BHYGNILZSA-N 1 0 382.468 2.704 20 5 GFBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055986504 551175449 /nfs/dbraw/zinc/17/54/49/551175449.db2.gz NFBWTXNPKCHCIQ-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000131051805 551371602 /nfs/dbraw/zinc/37/16/02/551371602.db2.gz OKLHLCBUQGVAOL-CQSZACIVSA-N 1 0 381.226 2.887 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151642770 551418822 /nfs/dbraw/zinc/41/88/22/551418822.db2.gz GOFTUDOLVNGGHF-ZDUSSCGKSA-N 1 0 387.889 2.663 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@]3(CO)CCOC3)o2)c(Br)c1 ZINC000184187405 552329013 /nfs/dbraw/zinc/32/90/13/552329013.db2.gz WUJDWAAAYWLPJD-MRXNPFEDSA-N 1 0 397.225 2.858 20 5 GFBDRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185312922 552360837 /nfs/dbraw/zinc/36/08/37/552360837.db2.gz XDUNXHIFKDEBNJ-GFCCVEGCSA-N 1 0 388.262 2.635 20 5 GFBDRO O=[N+]([O-])c1cncc(I)c1N1CCC(c2ncc[nH]2)CC1 ZINC000418845443 563227105 /nfs/dbraw/zinc/22/71/05/563227105.db2.gz MGTWDPDZAGNOFN-UHFFFAOYSA-N 1 0 399.192 2.702 20 5 GFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000279022303 563280336 /nfs/dbraw/zinc/28/03/36/563280336.db2.gz JIFXIERSNDDZRV-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO CN1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000281284457 563372069 /nfs/dbraw/zinc/37/20/69/563372069.db2.gz SENGPEOJJGWPFT-UHFFFAOYSA-N 1 0 397.317 2.821 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375059517 563388454 /nfs/dbraw/zinc/38/84/54/563388454.db2.gz JTTUSMAALMNYNX-IAQYHMDHSA-N 1 0 382.258 2.832 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301207028 563396453 /nfs/dbraw/zinc/39/64/53/563396453.db2.gz PRMOQWFYMVDCCN-JTQLQIEISA-N 1 0 381.376 2.642 20 5 GFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000330670828 563516578 /nfs/dbraw/zinc/51/65/78/563516578.db2.gz BZJZBMMKQUAPHV-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330959062 563529175 /nfs/dbraw/zinc/52/91/75/563529175.db2.gz AVZDDWXEXRPMHE-HNNXBMFYSA-N 1 0 399.289 2.568 20 5 GFBDRO CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430561642 563545989 /nfs/dbraw/zinc/54/59/89/563545989.db2.gz NHYKXKAVPVXROL-CYBMUJFWSA-N 1 0 387.278 2.601 20 5 GFBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000331940310 563568366 /nfs/dbraw/zinc/56/83/66/563568366.db2.gz MVTXYOFZWCBLRP-HZPDHXFCSA-N 1 0 383.901 2.829 20 5 GFBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440367123 563739984 /nfs/dbraw/zinc/73/99/84/563739984.db2.gz UYQAHRYDLDLNBH-SNVBAGLBSA-N 1 0 382.269 2.664 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364079407 563742243 /nfs/dbraw/zinc/74/22/43/563742243.db2.gz UISWGVCBSDULIX-OLZOCXBDSA-N 1 0 382.258 2.643 20 5 GFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000441227124 563756615 /nfs/dbraw/zinc/75/66/15/563756615.db2.gz GYBCAMWNRKQJBI-KBPBESRZSA-N 1 0 386.246 2.843 20 5 GFBDRO CCc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000537938216 564178359 /nfs/dbraw/zinc/17/83/59/564178359.db2.gz QVCDEXQUZDWORA-LBPRGKRZSA-N 1 0 383.495 2.848 20 5 GFBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449453632 564186808 /nfs/dbraw/zinc/18/68/08/564186808.db2.gz XIIVLOVKPQEAAA-VIFPVBQESA-N 1 0 378.210 2.839 20 5 GFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390251 564231590 /nfs/dbraw/zinc/23/15/90/564231590.db2.gz KODPNVRVMUUZGT-TVQRCGJNSA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000510742411 564345650 /nfs/dbraw/zinc/34/56/50/564345650.db2.gz BHTBCBXCHFOTDA-NSHDSACASA-N 1 0 382.258 2.666 20 5 GFBDRO CC(C)C[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567284004 564365007 /nfs/dbraw/zinc/36/50/07/564365007.db2.gz CGTYNWKYHRUUSV-GFCCVEGCSA-N 1 0 378.210 2.696 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccsc1Br ZINC000568503226 564421306 /nfs/dbraw/zinc/42/13/06/564421306.db2.gz GRZAQFPMFFSUGX-LLVKDONJSA-N 1 0 387.255 2.948 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cccc(Br)c2)c1 ZINC000514668110 564453175 /nfs/dbraw/zinc/45/31/75/564453175.db2.gz TUCZWNXLPIABEK-OAHLLOKOSA-N 1 0 381.226 2.887 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000515096410 564469933 /nfs/dbraw/zinc/46/99/33/564469933.db2.gz KAXMLYZOIMXWGT-AWEZNQCLSA-N 1 0 390.221 2.840 20 5 GFBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000517565555 564536294 /nfs/dbraw/zinc/53/62/94/564536294.db2.gz IEJAWVKCKHMPPW-SNVBAGLBSA-N 1 0 382.269 2.794 20 5 GFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000572028984 564577871 /nfs/dbraw/zinc/57/78/71/564577871.db2.gz MHKWLZUZRICDHJ-HNNXBMFYSA-N 1 0 395.253 2.929 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000520740215 564611986 /nfs/dbraw/zinc/61/19/86/564611986.db2.gz DUXCVKDHACVLCQ-GFCCVEGCSA-N 1 0 387.889 2.852 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462139873 564823243 /nfs/dbraw/zinc/82/32/43/564823243.db2.gz OULZYNCIRCRTAM-SNVBAGLBSA-N 1 0 396.296 2.864 20 5 GFBDRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000495581122 564855374 /nfs/dbraw/zinc/85/53/74/564855374.db2.gz UWWXWHAOJQIENU-PSOPSSQASA-N 1 0 387.889 2.520 20 5 GFBDRO CS[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000495581124 564855458 /nfs/dbraw/zinc/85/54/58/564855458.db2.gz UWWXWHAOJQIENU-VZJVUDMVSA-N 1 0 387.889 2.520 20 5 GFBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635276 564855638 /nfs/dbraw/zinc/85/56/38/564855638.db2.gz UCZSQMJREGJEET-ZANVPECISA-N 1 0 378.210 2.696 20 5 GFBDRO Cc1sc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000467420696 564963642 /nfs/dbraw/zinc/96/36/42/564963642.db2.gz SKMKEHLZZRDMQF-UHFFFAOYSA-N 1 0 375.516 2.898 20 5 GFBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000561547716 565001324 /nfs/dbraw/zinc/00/13/24/565001324.db2.gz AEEFIAZJQCMUQN-UHFFFAOYSA-N 1 0 375.516 2.851 20 5 GFBDRO Cc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616059671 565186912 /nfs/dbraw/zinc/18/69/12/565186912.db2.gz PTVXUPQYQVXPFT-AWEZNQCLSA-N 1 0 397.317 2.882 20 5 GFBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000591364565 565227502 /nfs/dbraw/zinc/22/75/02/565227502.db2.gz GXCOXPJQHWIMTK-SNVBAGLBSA-N 1 0 390.225 2.561 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000591894667 565243822 /nfs/dbraw/zinc/24/38/22/565243822.db2.gz WMXBMEVCXKGQSU-BXUZGUMPSA-N 1 0 382.258 2.962 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599392106 565676130 /nfs/dbraw/zinc/67/61/30/565676130.db2.gz RCFCMVYYHMCVIK-CYBMUJFWSA-N 1 0 387.889 2.934 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3COCC[C@H]3O)o2)c(Br)c1 ZINC000601159171 565769090 /nfs/dbraw/zinc/76/90/90/565769090.db2.gz IMXUVTAHJVBLMN-HUUCEWRRSA-N 1 0 397.225 2.857 20 5 GFBDRO COCCOC[C@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480827 565851606 /nfs/dbraw/zinc/85/16/06/565851606.db2.gz CJDIRLLGBZOQBU-JTQLQIEISA-N 1 0 379.276 2.904 20 5 GFBDRO CS(=O)(=O)CCCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620538 565858392 /nfs/dbraw/zinc/85/83/92/565858392.db2.gz LNOWGKDEKQMIKH-UHFFFAOYSA-N 1 0 385.305 2.723 20 5 GFBDRO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@H]1C ZINC000820705977 599473629 /nfs/dbraw/zinc/47/36/29/599473629.db2.gz XFXDFRCGGDYSDH-CHWSQXEVSA-N 1 0 396.455 2.998 20 5 GFBDRO CC(C)(C)[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819913735 599484797 /nfs/dbraw/zinc/48/47/97/599484797.db2.gz DIVSZHGLNCCZRI-UHFFFAOYSA-N 1 0 396.455 2.998 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822229601 606417167 /nfs/dbraw/zinc/41/71/67/606417167.db2.gz XWCRGCZDIFCUAN-STQMWFEESA-N 1 0 395.423 2.761 20 5 GFBDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824584452 608563922 /nfs/dbraw/zinc/56/39/22/608563922.db2.gz AVGXQQYSGVAZBC-JTQLQIEISA-N 1 0 387.425 2.516 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262505 660252496 /nfs/dbraw/zinc/25/24/96/660252496.db2.gz NHFAFULOJRDGPF-ZWNOBZJWSA-N 1 0 387.223 2.572 20 5 GFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000830021803 660630850 /nfs/dbraw/zinc/63/08/50/660630850.db2.gz JEZOMSOFLUJPIN-HOCLYGCPSA-N 1 0 383.901 2.877 20 5 GFBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000125480763 654796046 /nfs/dbraw/zinc/79/60/46/654796046.db2.gz DOOSEMYZKNRSEC-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000267494823 654931325 /nfs/dbraw/zinc/93/13/25/654931325.db2.gz XYDJMDDWMXVIEU-GFCCVEGCSA-N 1 0 382.258 2.915 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000273558373 655148251 /nfs/dbraw/zinc/14/82/51/655148251.db2.gz XSAXZJAYIPQUCH-GFCCVEGCSA-N 1 0 389.905 2.907 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173924514 655185842 /nfs/dbraw/zinc/18/58/42/655185842.db2.gz KOKJCECYCXHVCQ-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000246224609 655429515 /nfs/dbraw/zinc/42/95/15/655429515.db2.gz HDRVBFUKZFIOTJ-JSGCOSHPSA-N 1 0 389.905 2.907 20 5 GFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730815625 655578660 /nfs/dbraw/zinc/57/86/60/655578660.db2.gz ZURRKMIBVBUFQN-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226740 659085791 /nfs/dbraw/zinc/08/57/91/659085791.db2.gz DROOSTNZODNJRJ-QWRGUYRKSA-N 1 0 393.868 2.786 20 5 GFBDRO CC(C)[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+](C)C ZINC000803547426 659588581 /nfs/dbraw/zinc/58/85/81/659588581.db2.gz YEYVHARUYHSBRO-OAHLLOKOSA-N 1 0 384.274 2.828 20 5 GFBDRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486918 660010271 /nfs/dbraw/zinc/01/02/71/660010271.db2.gz JRFXEHORJGSOGR-TVQRCGJNSA-N 1 0 396.296 2.709 20 5 GFBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813379784 660052587 /nfs/dbraw/zinc/05/25/87/660052587.db2.gz HLQRWWGTMCHMSL-GFCCVEGCSA-N 1 0 390.267 2.988 20 5 GFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045315 660106678 /nfs/dbraw/zinc/10/66/78/660106678.db2.gz QAVVBBGYOKIASK-GHMZBOCLSA-N 1 0 391.852 2.635 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842876895 661358476 /nfs/dbraw/zinc/35/84/76/661358476.db2.gz ZZHNDYHNIFFZKR-CHWSQXEVSA-N 1 0 387.889 2.649 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000842891993 661359106 /nfs/dbraw/zinc/35/91/06/661359106.db2.gz BBUMVNRLGIFJOM-STQMWFEESA-N 1 0 387.889 2.567 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846229992 661539227 /nfs/dbraw/zinc/53/92/27/661539227.db2.gz CJFWUIBVPTWTJG-ZWNOBZJWSA-N 1 0 375.878 2.695 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849419508 661720554 /nfs/dbraw/zinc/72/05/54/661720554.db2.gz OCNKOIAOGBAVRZ-VIFPVBQESA-N 1 0 379.841 2.538 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849419505 661720640 /nfs/dbraw/zinc/72/06/40/661720640.db2.gz OCNKOIAOGBAVRZ-SECBINFHSA-N 1 0 379.841 2.538 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000851812944 661833693 /nfs/dbraw/zinc/83/36/93/661833693.db2.gz PDVDSVSKDNRXKX-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000851879180 661842444 /nfs/dbraw/zinc/84/24/44/661842444.db2.gz GXSNPDCRMPKMAA-UHFFFAOYSA-N 1 0 387.889 2.649 20 5 GFBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351707 662241794 /nfs/dbraw/zinc/24/17/94/662241794.db2.gz VINUWQGXVGEKCL-HIFRSBDPSA-N 1 0 387.230 2.623 20 5 GFBDRO CN1CC[NH+](C2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)CC1 ZINC000866213304 662464693 /nfs/dbraw/zinc/46/46/93/662464693.db2.gz SZOWHMHFOLXZSM-UHFFFAOYSA-N 1 0 383.290 2.574 20 5 GFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310484 662541286 /nfs/dbraw/zinc/54/12/86/662541286.db2.gz ZPFIEJHGXWKIOA-KCJUWKMLSA-N 1 0 382.269 2.615 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877265236 662872766 /nfs/dbraw/zinc/87/27/66/662872766.db2.gz ABLJKEUNYQTTCG-SKDRFNHKSA-N 1 0 386.221 2.711 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C(F)(F)F ZINC000877366308 662874761 /nfs/dbraw/zinc/87/47/61/662874761.db2.gz VEWZJUCTKQPVDZ-XCBNKYQSSA-N 1 0 396.163 2.567 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000882048959 663014954 /nfs/dbraw/zinc/01/49/54/663014954.db2.gz JJMMIVGEALLMDX-UHFFFAOYSA-N 1 0 388.237 2.797 20 5 GFBDRO O=[N+]([O-])c1c(Br)cccc1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000882837963 663043710 /nfs/dbraw/zinc/04/37/10/663043710.db2.gz VGDWADBCTYESEZ-UHFFFAOYSA-N 1 0 393.259 2.552 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219745 663595020 /nfs/dbraw/zinc/59/50/20/663595020.db2.gz NOHJSBVHOURSGW-QWHCGFSZSA-N 1 0 388.237 2.532 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000929796129 664757753 /nfs/dbraw/zinc/75/77/53/664757753.db2.gz OUHTVZDDHLXFLJ-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO Nc1c(Br)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000932238900 664815570 /nfs/dbraw/zinc/81/55/70/664815570.db2.gz UNQUGZHPNNZVEX-LBPRGKRZSA-N 1 0 397.273 2.640 20 5 GFBDRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000933437682 664864055 /nfs/dbraw/zinc/86/40/55/664864055.db2.gz BQRLIXNWOQACRK-MRXNPFEDSA-N 1 0 380.242 2.836 20 5 GFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000935368877 664956897 /nfs/dbraw/zinc/95/68/97/664956897.db2.gz UZMHKUOHDBOCAL-HOCLYGCPSA-N 1 0 381.523 2.969 20 5 GFBDRO Cc1c(NC(=O)COC2CC[NH+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000935782842 664988309 /nfs/dbraw/zinc/98/83/09/664988309.db2.gz BXMMPEZHAWYYRU-UHFFFAOYSA-N 1 0 386.246 2.715 20 5 GFBDRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2 ZINC001164417225 718888931 /nfs/dbraw/zinc/88/89/31/718888931.db2.gz IJHKQJKEIOOZQF-MEBBXXQBSA-N 1 0 381.770 2.788 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2nccc3cc([N+](=O)[O-])ccc32)c2c1CC[NH2+]C2 ZINC001164683508 719652386 /nfs/dbraw/zinc/65/23/86/719652386.db2.gz VQEJDACZWFSKFT-UHFFFAOYSA-N 1 0 380.452 2.815 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809062 720106668 /nfs/dbraw/zinc/10/66/68/720106668.db2.gz GNVVAOJTOOKDDH-IERDGZPVSA-N 1 0 397.479 2.723 20 5 GFBDRO Cc1cc(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164767250 721105675 /nfs/dbraw/zinc/10/56/75/721105675.db2.gz LZZFVVAORYWLOU-HUUCEWRRSA-N 1 0 390.875 2.643 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC001165054262 722010888 /nfs/dbraw/zinc/01/08/88/722010888.db2.gz UZJGEHWPJYJOPB-UHFFFAOYSA-N 1 0 398.854 2.951 20 5 GFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000122486242 551298673 /nfs/dbraw/zinc/29/86/73/551298673.db2.gz BDEJSTOEHSMEDQ-CYBMUJFWSA-N 1 0 382.258 2.880 20 5 GFBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000127563480 551342116 /nfs/dbraw/zinc/34/21/16/551342116.db2.gz MPFPOYJDHSPWNU-JQWIXIFHSA-N 1 0 382.258 2.641 20 5 GFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](CO)C(C)(C)C ZINC000134410373 551385184 /nfs/dbraw/zinc/38/51/84/551385184.db2.gz SYNVVFZDMHUIGS-ZDUSSCGKSA-N 1 0 388.262 2.635 20 5 GFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151585213 551417134 /nfs/dbraw/zinc/41/71/34/551417134.db2.gz ZQKPZDUBTLMQOI-OAHLLOKOSA-N 1 0 398.257 2.568 20 5 GFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152559856 551435335 /nfs/dbraw/zinc/43/53/35/551435335.db2.gz DICNMSBMOJXGRJ-SECBINFHSA-N 1 0 376.638 2.835 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152915146 551442690 /nfs/dbraw/zinc/44/26/90/551442690.db2.gz NRCFFCGFTYQHQG-DOMZBBRYSA-N 1 0 387.889 2.661 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000152979447 551444279 /nfs/dbraw/zinc/44/42/79/551444279.db2.gz FDBTXGLJOROQDL-UHFFFAOYSA-N 1 0 391.225 2.715 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155914585 551510854 /nfs/dbraw/zinc/51/08/54/551510854.db2.gz PUUPAJKRMHBPCW-BBRMVZONSA-N 1 0 396.285 2.843 20 5 GFBDRO [NH3+]C1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000157615486 551540254 /nfs/dbraw/zinc/54/02/54/551540254.db2.gz VGCSYOPJMFHGCS-UHFFFAOYSA-N 1 0 384.223 2.651 20 5 GFBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163313509 551618459 /nfs/dbraw/zinc/61/84/59/551618459.db2.gz VAVNLGBMAOXPCF-SNVBAGLBSA-N 1 0 383.392 2.622 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000173476059 552086135 /nfs/dbraw/zinc/08/61/35/552086135.db2.gz YMNCMCFXMZWAJZ-MRXNPFEDSA-N 1 0 395.257 2.579 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173948328 552095904 /nfs/dbraw/zinc/09/59/04/552095904.db2.gz MNDXCXLMMPGQIE-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182002378 552272548 /nfs/dbraw/zinc/27/25/48/552272548.db2.gz ZTHFROSXFZHSSO-CQSZACIVSA-N 1 0 398.257 2.568 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245533614 553092049 /nfs/dbraw/zinc/09/20/49/553092049.db2.gz YJERMXOWQFFURN-ZWNOBZJWSA-N 1 0 382.258 2.974 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246189660 553103991 /nfs/dbraw/zinc/10/39/91/553103991.db2.gz OOKSFJCNZQZLQK-IAQYHMDHSA-N 1 0 384.274 2.698 20 5 GFBDRO CC[NH+](CC)[C@@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418910551 563230190 /nfs/dbraw/zinc/23/01/90/563230190.db2.gz OULMRMAACOGTLE-SNVBAGLBSA-N 1 0 390.225 2.515 20 5 GFBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000373096962 563328529 /nfs/dbraw/zinc/32/85/29/563328529.db2.gz FIYAPKHXGWOLEK-SNVBAGLBSA-N 1 0 388.287 2.977 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000375537944 563408787 /nfs/dbraw/zinc/40/87/87/563408787.db2.gz VOAVQEXADLUERR-HZMBPMFUSA-N 1 0 383.246 2.915 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000376116297 563429999 /nfs/dbraw/zinc/42/99/99/563429999.db2.gz QCUXICRNSNCEGC-UWVGGRQHSA-N 1 0 388.287 2.975 20 5 GFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCC[C@H]1O ZINC000426241128 563447113 /nfs/dbraw/zinc/44/71/13/563447113.db2.gz SSAUYGVUCFOGMV-ZIAGYGMSSA-N 1 0 386.246 2.531 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331887674 563565248 /nfs/dbraw/zinc/56/52/48/563565248.db2.gz JOWUFMSQNVZBLZ-SWLSCSKDSA-N 1 0 387.889 2.709 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431896013 563570856 /nfs/dbraw/zinc/57/08/56/563570856.db2.gz JZGGPDOVZQHVST-OLZOCXBDSA-N 1 0 375.516 2.835 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCO1 ZINC000435387097 563648774 /nfs/dbraw/zinc/64/87/74/563648774.db2.gz XBSVZJONGZIVDH-ZDUSSCGKSA-N 1 0 396.241 2.777 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289025068 563664991 /nfs/dbraw/zinc/66/49/91/563664991.db2.gz CUXMWKWBPQAZAB-SNVBAGLBSA-N 1 0 396.296 2.864 20 5 GFBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000289554316 563678976 /nfs/dbraw/zinc/67/89/76/563678976.db2.gz PAJUOOIGJASKES-MWLCHTKSSA-N 1 0 376.194 2.714 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077895 563735355 /nfs/dbraw/zinc/73/53/55/563735355.db2.gz KTXFBOJUNPAUMT-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440340286 563738995 /nfs/dbraw/zinc/73/89/95/563738995.db2.gz IYSUGBCSMFQQOE-LDYMZIIASA-N 1 0 382.269 2.792 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000414589951 563747615 /nfs/dbraw/zinc/74/76/15/563747615.db2.gz XIICQOOGIRGVQG-ZWNOBZJWSA-N 1 0 390.221 2.840 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000292023037 563770089 /nfs/dbraw/zinc/77/00/89/563770089.db2.gz VQEUPXUDQUWDLJ-LLVKDONJSA-N 1 0 388.251 2.696 20 5 GFBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000443990685 563817544 /nfs/dbraw/zinc/81/75/44/563817544.db2.gz OMPPNKOUZFQUGE-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)cc1Cl ZINC000368143266 563865238 /nfs/dbraw/zinc/86/52/38/563865238.db2.gz QLKAEGKYJMGBPR-SNVBAGLBSA-N 1 0 394.280 2.760 20 5 GFBDRO [NH3+]CCN(Cc1cn2ccc(Br)cc2n1)c1ccccc1[N+](=O)[O-] ZINC000563242378 564181465 /nfs/dbraw/zinc/18/14/65/564181465.db2.gz QAMGYDLJLHHGMU-UHFFFAOYSA-N 1 0 390.241 2.970 20 5 GFBDRO CS[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000450266603 564224810 /nfs/dbraw/zinc/22/48/10/564224810.db2.gz RVNPGKIPCFVWAH-STQMWFEESA-N 1 0 377.388 2.731 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000540172710 564241258 /nfs/dbraw/zinc/24/12/58/564241258.db2.gz SXJQHKFWGKQYOA-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(Br)cc1 ZINC000564854089 564252827 /nfs/dbraw/zinc/25/28/27/564252827.db2.gz LPWQGMZBRXQQKC-OAHLLOKOSA-N 1 0 395.253 2.929 20 5 GFBDRO CO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502648 564319671 /nfs/dbraw/zinc/31/96/71/564319671.db2.gz PIXPPPFIXJSLDY-STQMWFEESA-N 1 0 386.246 2.699 20 5 GFBDRO CC[C@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451729156 564344953 /nfs/dbraw/zinc/34/49/53/564344953.db2.gz JLEUADFFRJPHJD-LBPRGKRZSA-N 1 0 399.289 2.712 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cccc(Br)c1 ZINC000567493510 564374526 /nfs/dbraw/zinc/37/45/26/564374526.db2.gz DAPRZYJDICFDJC-OAHLLOKOSA-N 1 0 395.253 2.929 20 5 GFBDRO CSC1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000568340743 564414632 /nfs/dbraw/zinc/41/46/32/564414632.db2.gz ZKPJBLHSBUCBJY-UHFFFAOYSA-N 1 0 386.905 2.875 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000515522430 564481118 /nfs/dbraw/zinc/48/11/18/564481118.db2.gz CUTAIKJYRQYHGZ-STQMWFEESA-N 1 0 389.905 2.895 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000481217988 564505829 /nfs/dbraw/zinc/50/58/29/564505829.db2.gz HDJJPVKZHQEXLA-INIZCTEOSA-N 1 0 387.889 2.571 20 5 GFBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000520439416 564604555 /nfs/dbraw/zinc/60/45/55/564604555.db2.gz UIGLVHVYCWOVMV-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000521404814 564626800 /nfs/dbraw/zinc/62/68/00/564626800.db2.gz PQQOSPQMHDTXLI-LBPRGKRZSA-N 1 0 396.241 2.576 20 5 GFBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636568 564800491 /nfs/dbraw/zinc/80/04/91/564800491.db2.gz WEKWSWLVWYBILI-QMTHXVAHSA-N 1 0 390.221 2.840 20 5 GFBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000463034842 564868161 /nfs/dbraw/zinc/86/81/61/564868161.db2.gz NPUJRIUPDCTWLH-GFCCVEGCSA-N 1 0 376.194 2.810 20 5 GFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614171 565050559 /nfs/dbraw/zinc/05/05/59/565050559.db2.gz TWLOJQDNYRIAQT-UPJWGTAASA-N 1 0 389.905 2.893 20 5 GFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470678270 565053173 /nfs/dbraw/zinc/05/31/73/565053173.db2.gz NGPXSVATFXUFDI-ZDUSSCGKSA-N 1 0 384.274 2.889 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304542 565222987 /nfs/dbraw/zinc/22/29/87/565222987.db2.gz IXYMVFHAHVWLJM-ZWNOBZJWSA-N 1 0 383.246 2.881 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3Br)CCC2)c1 ZINC000593041296 565309510 /nfs/dbraw/zinc/30/95/10/565309510.db2.gz ZPIHFSADWQFOQM-CYBMUJFWSA-N 1 0 395.257 2.584 20 5 GFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000619578941 565350008 /nfs/dbraw/zinc/35/00/08/565350008.db2.gz VLJLMRWNOBFOSW-ZDUSSCGKSA-N 1 0 384.274 2.843 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597857357 565578084 /nfs/dbraw/zinc/57/80/84/565578084.db2.gz FFYKHDXLRAXGHL-CYBMUJFWSA-N 1 0 384.274 2.889 20 5 GFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422760 565782414 /nfs/dbraw/zinc/78/24/14/565782414.db2.gz YGLOOQWZIUTDQJ-KWQFWETISA-N 1 0 382.269 2.615 20 5 GFBDRO CNC(=O)C1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602537116 565853637 /nfs/dbraw/zinc/85/36/37/565853637.db2.gz ZJROQKJOKQNBAX-UHFFFAOYSA-N 1 0 376.276 2.813 20 5 GFBDRO CC1(C)COCCN1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602593015 565856599 /nfs/dbraw/zinc/85/65/99/565856599.db2.gz FYZPRSDQXVVIOD-UHFFFAOYSA-N 1 0 378.292 2.619 20 5 GFBDRO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602696078 565863287 /nfs/dbraw/zinc/86/32/87/565863287.db2.gz CIGBQNPWPIJHEF-SECBINFHSA-N 1 0 376.276 2.767 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000603975471 565920265 /nfs/dbraw/zinc/92/02/65/565920265.db2.gz CHRZBWHUKZILKM-NWDGAFQWSA-N 1 0 375.878 2.789 20 5 GFBDRO Cc1c(Br)c(NC2CC[NH+]([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000612449092 566163974 /nfs/dbraw/zinc/16/39/74/566163974.db2.gz YPONSVSRKJJFEO-GFCCVEGCSA-N 1 0 385.262 2.726 20 5 GFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737411063 598368334 /nfs/dbraw/zinc/36/83/34/598368334.db2.gz IYFXAMVEYIXIQM-UHFFFAOYSA-N 1 0 393.451 2.796 20 5 GFBDRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261387 607552536 /nfs/dbraw/zinc/55/25/36/607552536.db2.gz JFIGLFGCZLPBLX-LJQANCHMSA-N 1 0 396.451 2.967 20 5 GFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399410 607553355 /nfs/dbraw/zinc/55/33/55/607553355.db2.gz SEJBIGLKGFXUKC-ACJLOTCBSA-N 1 0 382.424 2.891 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000823639931 607061681 /nfs/dbraw/zinc/06/16/81/607061681.db2.gz MJFAWIBFHLCHSS-UHFFFAOYSA-N 1 0 397.414 2.673 20 5 GFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000826211647 608463262 /nfs/dbraw/zinc/46/32/62/608463262.db2.gz NVAZMXLHWMPSDM-LBPRGKRZSA-N 1 0 384.396 2.513 20 5 GFBDRO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824773192 660401402 /nfs/dbraw/zinc/40/14/02/660401402.db2.gz JZWBGBWTVZMTGJ-AWEZNQCLSA-N 1 0 377.224 2.820 20 5 GFBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830397823 660652238 /nfs/dbraw/zinc/65/22/38/660652238.db2.gz WYKCUECYIKFYRT-VIFPVBQESA-N 1 0 384.285 2.910 20 5 GFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830838661 660682671 /nfs/dbraw/zinc/68/26/71/660682671.db2.gz ZXYOZPFOCDZUNM-LBPRGKRZSA-N 1 0 385.262 2.603 20 5 GFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000831217880 660704195 /nfs/dbraw/zinc/70/41/95/660704195.db2.gz NGAGVQFFNQZDSN-ZJUUUORDSA-N 1 0 385.262 2.551 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000124374219 654775426 /nfs/dbraw/zinc/77/54/26/654775426.db2.gz PZKNVGIVGXMSOT-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000126211805 654810011 /nfs/dbraw/zinc/81/00/11/654810011.db2.gz LPAJBNHJKYTQRI-SNVBAGLBSA-N 1 0 381.376 2.559 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129077537 654855796 /nfs/dbraw/zinc/85/57/96/654855796.db2.gz MCCPMQUZFCFCMM-OCCSQVGLSA-N 1 0 387.889 2.661 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001516 654892427 /nfs/dbraw/zinc/89/24/27/654892427.db2.gz PMQUBLLJBHNAQY-TXEJJXNPSA-N 1 0 375.516 2.691 20 5 GFBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067717066 654943358 /nfs/dbraw/zinc/94/33/58/654943358.db2.gz SOEGQYMJSYKFRM-UHFFFAOYSA-N 1 0 387.889 2.886 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000269317789 655005649 /nfs/dbraw/zinc/00/56/49/655005649.db2.gz XZUIXAIUTJADFW-GFCCVEGCSA-N 1 0 375.878 2.519 20 5 GFBDRO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000097552719 655035777 /nfs/dbraw/zinc/03/57/77/655035777.db2.gz OKBTYWHKCKHDLG-CYBMUJFWSA-N 1 0 381.376 2.640 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000272501108 655115146 /nfs/dbraw/zinc/11/51/46/655115146.db2.gz LHZDBSXMRRBXCZ-NSHDSACASA-N 1 0 375.878 2.599 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000272571731 655116363 /nfs/dbraw/zinc/11/63/63/655116363.db2.gz FTNBBBMRBDPUHU-RNCFNFMXSA-N 1 0 386.221 2.663 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000107708278 655124214 /nfs/dbraw/zinc/12/42/14/655124214.db2.gz CUDYDZHZLALULA-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1Br ZINC000839609451 661095598 /nfs/dbraw/zinc/09/55/98/661095598.db2.gz AWSLDVSTZUKZNU-UMVBOHGHSA-N 1 0 385.258 2.719 20 5 GFBDRO CC[C@@H](CCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289432004 655349068 /nfs/dbraw/zinc/34/90/68/655349068.db2.gz DVRUEICWZHICAJ-JTQLQIEISA-N 1 0 378.210 2.698 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000577717651 655465500 /nfs/dbraw/zinc/46/55/00/655465500.db2.gz DAYHZOZKUJPWDO-CYBMUJFWSA-N 1 0 376.194 2.858 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000749144719 655800990 /nfs/dbraw/zinc/80/09/90/655800990.db2.gz UJBLHXOAPDCRKU-ZDUSSCGKSA-N 1 0 385.262 2.808 20 5 GFBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754637772 655870653 /nfs/dbraw/zinc/87/06/53/655870653.db2.gz XXLZJYGITZEAMJ-LLVKDONJSA-N 1 0 386.221 2.711 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000768806089 656252002 /nfs/dbraw/zinc/25/20/02/656252002.db2.gz VKMPWIKXQQQEMX-UHFFFAOYSA-N 1 0 387.527 2.933 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768810192 656252227 /nfs/dbraw/zinc/25/22/27/656252227.db2.gz DRCYSQKDUQJNGL-TXEJJXNPSA-N 1 0 375.516 2.691 20 5 GFBDRO CN(c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1)S(C)(=O)=O ZINC000783620917 657246970 /nfs/dbraw/zinc/24/69/70/657246970.db2.gz UXZIYPITWPZNOS-UHFFFAOYSA-N 1 0 383.857 2.934 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000798464320 659109618 /nfs/dbraw/zinc/10/96/18/659109618.db2.gz MRMMWNKJXYESBW-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000805113653 659742126 /nfs/dbraw/zinc/74/21/26/659742126.db2.gz MNGHVLPMVOZLBM-QWHCGFSZSA-N 1 0 387.889 2.804 20 5 GFBDRO Cn1nc(C(F)(F)F)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000809736172 659937763 /nfs/dbraw/zinc/93/77/63/659937763.db2.gz IFKCOZOZMAEIAA-UHFFFAOYSA-N 1 0 377.754 2.966 20 5 GFBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809824361 659944024 /nfs/dbraw/zinc/94/40/24/659944024.db2.gz OZLQIODVPBBXQP-UHFFFAOYSA-N 1 0 384.285 2.912 20 5 GFBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826947 659945017 /nfs/dbraw/zinc/94/50/17/659945017.db2.gz WWBABAQRBUXDES-SECBINFHSA-N 1 0 382.269 2.616 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815019747 660102526 /nfs/dbraw/zinc/10/25/26/660102526.db2.gz TZVZGZIDWPVTEI-NSHDSACASA-N 1 0 393.868 2.740 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021481 660102717 /nfs/dbraw/zinc/10/27/17/660102717.db2.gz LUBYTOBCTWLBPI-VHSXEESVSA-N 1 0 379.841 2.538 20 5 GFBDRO CN(Cc1nc([C@H]2CCC[NH2+]2)no1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842637368 661347045 /nfs/dbraw/zinc/34/70/45/661347045.db2.gz LZOZUPAFBMFXAW-SNVBAGLBSA-N 1 0 382.218 2.801 20 5 GFBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000851820482 661834794 /nfs/dbraw/zinc/83/47/94/661834794.db2.gz ALKWIXQFWHBTIN-SECBINFHSA-N 1 0 382.269 2.664 20 5 GFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000862629436 662294877 /nfs/dbraw/zinc/29/48/77/662294877.db2.gz POVJOCFPKZCHJC-LBPRGKRZSA-N 1 0 397.273 2.889 20 5 GFBDRO C[C@@]([NH3+])(C(=O)NCCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000867927979 662587733 /nfs/dbraw/zinc/58/77/33/662587733.db2.gz SVZUBTSEMZUNJB-HNNXBMFYSA-N 1 0 398.282 2.952 20 5 GFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867961346 662589557 /nfs/dbraw/zinc/58/95/57/662589557.db2.gz VUZXNCMYYUJHHD-ZDUSSCGKSA-N 1 0 384.274 2.843 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868810484 662620473 /nfs/dbraw/zinc/62/04/73/662620473.db2.gz RNWHTNKGEVXPSF-CYBMUJFWSA-N 1 0 384.274 2.841 20 5 GFBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000883456801 663055393 /nfs/dbraw/zinc/05/53/93/663055393.db2.gz JPKJFOLSMUBOHG-GWCFXTLKSA-N 1 0 385.262 2.639 20 5 GFBDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725717 663261194 /nfs/dbraw/zinc/26/11/94/663261194.db2.gz JYRQOEXQQIOYMN-UHFFFAOYSA-N 1 0 399.289 2.841 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1Br ZINC000898116690 663634297 /nfs/dbraw/zinc/63/42/97/663634297.db2.gz USOOZFFTSUJDKM-LLVKDONJSA-N 1 0 377.260 2.847 20 5 GFBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(Br)n1 ZINC000903188648 663777484 /nfs/dbraw/zinc/77/74/84/663777484.db2.gz UWAYHQIXPKDFLG-NEPJUHHUSA-N 1 0 383.250 2.561 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([NH+]2CCC2)CC1 ZINC000912878025 664307071 /nfs/dbraw/zinc/30/70/71/664307071.db2.gz GAULJJPRRJCFPB-UHFFFAOYSA-N 1 0 382.258 2.597 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000925761625 664674375 /nfs/dbraw/zinc/67/43/75/664674375.db2.gz DADHVIWSOURQQK-RRFJBIMHSA-N 1 0 384.274 2.604 20 5 GFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000930614336 664774566 /nfs/dbraw/zinc/77/45/66/664774566.db2.gz WUVLIUKNSKXYLX-UHFFFAOYSA-N 1 0 386.290 2.682 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2nccc3ccc([N+](=O)[O-])cc32)c2c1CC[NH2+]C2 ZINC001164679648 719634161 /nfs/dbraw/zinc/63/41/61/719634161.db2.gz KCYDIPMDLDECEM-UHFFFAOYSA-N 1 0 380.452 2.815 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806795 720071955 /nfs/dbraw/zinc/07/19/55/720071955.db2.gz DGWSPQAFRGJOKD-RDTXWAMCSA-N 1 0 380.876 2.828 20 5 GFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844925 720685806 /nfs/dbraw/zinc/68/58/06/720685806.db2.gz WJOSTGJKNGFAHC-SFHVURJKSA-N 1 0 397.479 2.953 20 5 GFBDRO Cc1ccc(-c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)cc1[N+](=O)[O-] ZINC001165036284 721914513 /nfs/dbraw/zinc/91/45/13/721914513.db2.gz BIAPIEPOKGPCJO-QGZVFWFLSA-N 1 0 383.452 2.661 20 5 GFBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000116372503 551213147 /nfs/dbraw/zinc/21/31/47/551213147.db2.gz COWZGJGNNHPHKF-CYBMUJFWSA-N 1 0 377.894 2.893 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000130287047 551362757 /nfs/dbraw/zinc/36/27/57/551362757.db2.gz VEEOFSPBFNFAOH-JTQLQIEISA-N 1 0 389.886 2.939 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173246082 552080567 /nfs/dbraw/zinc/08/05/67/552080567.db2.gz HPBPPBHJEXYSIB-HZMBPMFUSA-N 1 0 375.878 2.517 20 5 GFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000173849430 552094119 /nfs/dbraw/zinc/09/41/19/552094119.db2.gz IIZLNIZPQYSTLN-QWHCGFSZSA-N 1 0 387.889 2.884 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000174026506 552097071 /nfs/dbraw/zinc/09/70/71/552097071.db2.gz ZIRIEHYOVYZQCG-GFCCVEGCSA-N 1 0 375.878 2.519 20 5 GFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000179844074 552205135 /nfs/dbraw/zinc/20/51/35/552205135.db2.gz AMZYNEJRCBQFHO-JTQLQIEISA-N 1 0 386.246 2.701 20 5 GFBDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181442599 552257133 /nfs/dbraw/zinc/25/71/33/552257133.db2.gz PKADSNJVRTXRID-LLVKDONJSA-N 1 0 396.245 2.561 20 5 GFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000182278551 552280350 /nfs/dbraw/zinc/28/03/50/552280350.db2.gz PAOUFQLCPFWDGC-OCCSQVGLSA-N 1 0 386.246 2.843 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2[N+](=O)[O-])n1 ZINC000237649209 553079930 /nfs/dbraw/zinc/07/99/30/553079930.db2.gz VKKZRRAGTAKZCJ-GFCCVEGCSA-N 1 0 378.479 2.978 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000248626521 553131894 /nfs/dbraw/zinc/13/18/94/553131894.db2.gz YZSXWJWDMCCCFF-CHWSQXEVSA-N 1 0 387.889 2.661 20 5 GFBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000261634487 553154805 /nfs/dbraw/zinc/15/48/05/553154805.db2.gz HQCJSJOUBFLYFK-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000373531577 563341714 /nfs/dbraw/zinc/34/17/14/563341714.db2.gz SDUVHPYUUYYMFO-NSHDSACASA-N 1 0 381.841 2.890 20 5 GFBDRO CN(CC1CC[NH+](C)CC1)c1ccc(I)cc1[N+](=O)[O-] ZINC000301198066 563395706 /nfs/dbraw/zinc/39/57/06/563395706.db2.gz OGIXLYWKONFXMA-UHFFFAOYSA-N 1 0 389.237 2.977 20 5 GFBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425031 563421732 /nfs/dbraw/zinc/42/17/32/563421732.db2.gz SXASKZZZZUXVHW-GXTWGEPZSA-N 1 0 382.258 2.848 20 5 GFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000375900971 563422835 /nfs/dbraw/zinc/42/28/35/563422835.db2.gz KLFRZZRZWGYGQY-SWLSCSKDSA-N 1 0 396.285 2.985 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322402297 563449930 /nfs/dbraw/zinc/44/99/30/563449930.db2.gz VKYUEWPVOIOSHO-IAQYHMDHSA-N 1 0 382.258 2.962 20 5 GFBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000412018402 563645092 /nfs/dbraw/zinc/64/50/92/563645092.db2.gz BKLHBNOZJVPHNL-JTQLQIEISA-N 1 0 386.246 2.843 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000362273640 563705165 /nfs/dbraw/zinc/70/51/65/563705165.db2.gz BSUAXTUYMMVVMO-UHFFFAOYSA-N 1 0 382.258 2.502 20 5 GFBDRO CN1CC[NH+](C[C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363393965 563721530 /nfs/dbraw/zinc/72/15/30/563721530.db2.gz XFSONTKOIMWFIR-CQSZACIVSA-N 1 0 397.317 2.821 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085114 563736212 /nfs/dbraw/zinc/73/62/12/563736212.db2.gz ZIGZBAQYCZGUOA-RYUDHWBXSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366536514 563812680 /nfs/dbraw/zinc/81/26/80/563812680.db2.gz RUVKOGLAUHJVSO-INIZCTEOSA-N 1 0 382.258 2.834 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000366940833 563825279 /nfs/dbraw/zinc/82/52/79/563825279.db2.gz LXWWSJMDVHEQQW-CQSZACIVSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543122 563848015 /nfs/dbraw/zinc/84/80/15/563848015.db2.gz XWPVFFUTEDHDLG-TZMCWYRMSA-N 1 0 382.258 2.848 20 5 GFBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)O ZINC000474179680 564268841 /nfs/dbraw/zinc/26/88/41/564268841.db2.gz XBEMXBOURKBQKR-UHFFFAOYSA-N 1 0 388.262 2.779 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000541422291 564278666 /nfs/dbraw/zinc/27/86/66/564278666.db2.gz BHRKZVAAGMWVKX-OAHLLOKOSA-N 1 0 389.930 2.894 20 5 GFBDRO CC[C@@H]1C[N@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451729155 564344970 /nfs/dbraw/zinc/34/49/70/564344970.db2.gz JLEUADFFRJPHJD-GFCCVEGCSA-N 1 0 399.289 2.712 20 5 GFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000543504815 564353366 /nfs/dbraw/zinc/35/33/66/564353366.db2.gz RHLJTPXEUAKEQQ-MNOVXSKESA-N 1 0 386.246 2.701 20 5 GFBDRO Cc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000514664837 564452526 /nfs/dbraw/zinc/45/25/26/564452526.db2.gz XWPXFARELXTHDA-CJNGLKHVSA-N 1 0 384.274 2.998 20 5 GFBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000480198697 564463396 /nfs/dbraw/zinc/46/33/96/564463396.db2.gz SXFQPKZJHGKNGA-LLVKDONJSA-N 1 0 383.392 2.584 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000516344065 564499414 /nfs/dbraw/zinc/49/94/14/564499414.db2.gz TUZDWGGPUMJTSS-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000519031906 564568637 /nfs/dbraw/zinc/56/86/37/564568637.db2.gz OKFPUOAGNKBHJY-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO C[N@H+](CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000457170506 564650765 /nfs/dbraw/zinc/65/07/65/564650765.db2.gz QWRQJDDTTSNPOU-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890452 564753405 /nfs/dbraw/zinc/75/34/05/564753405.db2.gz UXRCFTZGZJNVCV-YPMHNXCESA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580743597 564772024 /nfs/dbraw/zinc/77/20/24/564772024.db2.gz GAUACKVAJZYUHF-CMPLNLGQSA-N 1 0 390.221 2.962 20 5 GFBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636570 564800827 /nfs/dbraw/zinc/80/08/27/564800827.db2.gz WEKWSWLVWYBILI-YGRLFVJLSA-N 1 0 390.221 2.840 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCCCC[NH+]1CCN(CCO)CC1 ZINC000557605089 564869537 /nfs/dbraw/zinc/86/95/37/564869537.db2.gz ZNAPXCKPUUGZSA-UHFFFAOYSA-N 1 0 391.299 2.704 20 5 GFBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000500970457 564966798 /nfs/dbraw/zinc/96/67/98/564966798.db2.gz NXTYBHCSWNOTCV-UHFFFAOYSA-N 1 0 395.257 2.889 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000501144592 564972368 /nfs/dbraw/zinc/97/23/68/564972368.db2.gz IZNAEZXFUJDCDX-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO CCOC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000503444605 565019460 /nfs/dbraw/zinc/01/94/60/565019460.db2.gz ZDDJQSNEZUOHSX-CQSZACIVSA-N 1 0 388.262 2.947 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(O)CCCC2)c1 ZINC000589311407 565161453 /nfs/dbraw/zinc/16/14/53/565161453.db2.gz CXKHPDZHXYGPJM-UHFFFAOYSA-N 1 0 376.194 2.594 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569037 565282185 /nfs/dbraw/zinc/28/21/85/565282185.db2.gz WIEVBZWVZPMTRT-GFCCVEGCSA-N 1 0 382.258 2.691 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000595116348 565448876 /nfs/dbraw/zinc/44/88/76/565448876.db2.gz QGXCEYLDTRXDIL-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO Cc1c(Br)c(N2CCC([N@@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596268468 565518134 /nfs/dbraw/zinc/51/81/34/565518134.db2.gz LEAUMMUHGAZADR-UHFFFAOYSA-N 1 0 399.289 2.752 20 5 GFBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000597668428 565569686 /nfs/dbraw/zinc/56/96/86/565569686.db2.gz WKCQLFRCDJXATP-UHFFFAOYSA-N 1 0 382.258 2.915 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCSC1 ZINC000599629186 565693689 /nfs/dbraw/zinc/69/36/89/565693689.db2.gz GQLOJPRBNKOFJZ-AWEZNQCLSA-N 1 0 388.287 2.524 20 5 GFBDRO C[NH+]1CCC(n2cc(Nc3ncc(Br)cc3[N+](=O)[O-])cn2)CC1 ZINC000601227538 565771755 /nfs/dbraw/zinc/77/17/55/565771755.db2.gz UNWSABPXWGPUTE-UHFFFAOYSA-N 1 0 381.234 2.959 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](O)COc2ccccc2)cc1Br ZINC000602511915 565853009 /nfs/dbraw/zinc/85/30/09/565853009.db2.gz VNSNNYOJJVJCDF-SNVBAGLBSA-N 1 0 387.255 2.948 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000610268107 566073704 /nfs/dbraw/zinc/07/37/04/566073704.db2.gz ZJTVGUDDJDUFJR-CQSZACIVSA-N 1 0 381.479 2.551 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269409 598869993 /nfs/dbraw/zinc/86/99/93/598869993.db2.gz WRWOJEHSVQHBCN-CABCVRRESA-N 1 0 385.472 2.866 20 5 GFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000821581720 606139427 /nfs/dbraw/zinc/13/94/27/606139427.db2.gz TZONKPCPLOETTA-CQSZACIVSA-N 1 0 388.819 2.538 20 5 GFBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665793 606199507 /nfs/dbraw/zinc/19/95/07/606199507.db2.gz GTDHLXBJDKUVIQ-UKRRQHHQSA-N 1 0 394.439 2.635 20 5 GFBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665791 606199818 /nfs/dbraw/zinc/19/98/18/606199818.db2.gz GTDHLXBJDKUVIQ-DZGCQCFKSA-N 1 0 394.439 2.635 20 5 GFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1C[NH3+] ZINC000818023783 660214239 /nfs/dbraw/zinc/21/42/39/660214239.db2.gz MDPOWRKXORVBMX-KXUCPTDWSA-N 1 0 388.237 2.942 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000829100397 660580986 /nfs/dbraw/zinc/58/09/86/660580986.db2.gz SGNHBNXMMJZUHZ-ZETCQYMHSA-N 1 0 377.195 2.636 20 5 GFBDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123996407 654768287 /nfs/dbraw/zinc/76/82/87/654768287.db2.gz IEASLQQVPULJJK-NEPJUHHUSA-N 1 0 399.289 2.710 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000064240784 654864634 /nfs/dbraw/zinc/86/46/34/654864634.db2.gz CMHYDFDVOFFTIT-UHFFFAOYSA-N 1 0 381.479 2.599 20 5 GFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066935327 654922291 /nfs/dbraw/zinc/92/22/91/654922291.db2.gz NCKNQRCIWGRAKZ-UHFFFAOYSA-N 1 0 383.495 2.929 20 5 GFBDRO C[NH+](C)CCCOC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270944922 655060931 /nfs/dbraw/zinc/06/09/31/655060931.db2.gz KKVNKUWAMREUNG-UHFFFAOYSA-N 1 0 387.278 2.689 20 5 GFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000272584011 655116653 /nfs/dbraw/zinc/11/66/53/655116653.db2.gz GZAJIXQOXNAJBA-NSHDSACASA-N 1 0 383.857 2.789 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000839594747 661094584 /nfs/dbraw/zinc/09/45/84/661094584.db2.gz XSXKRIZSRPWKGT-CQSZACIVSA-N 1 0 398.301 2.902 20 5 GFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1Br ZINC000839609446 661095577 /nfs/dbraw/zinc/09/55/77/661095577.db2.gz AWSLDVSTZUKZNU-GZBFAFLISA-N 1 0 385.258 2.719 20 5 GFBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1CC(C)(C)O ZINC000839573880 661092978 /nfs/dbraw/zinc/09/29/78/661092978.db2.gz HLXAGEJFFZABID-LBPRGKRZSA-N 1 0 386.290 2.634 20 5 GFBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119943420 655322230 /nfs/dbraw/zinc/32/22/30/655322230.db2.gz XLIYOKCCHNOJIA-UHFFFAOYSA-N 1 0 375.516 2.693 20 5 GFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194344936 655415307 /nfs/dbraw/zinc/41/53/07/655415307.db2.gz XHQQRTFIBJJRFD-UHFFFAOYSA-N 1 0 375.466 2.722 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1Br ZINC000574869395 655432489 /nfs/dbraw/zinc/43/24/89/655432489.db2.gz VNFBPYFHOUYBNB-ZDUSSCGKSA-N 1 0 381.226 2.887 20 5 GFBDRO C[NH+](C)CC(C)(C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000580016004 655506766 /nfs/dbraw/zinc/50/67/66/655506766.db2.gz LMRBJNUNTXZYOE-UHFFFAOYSA-N 1 0 391.253 2.877 20 5 GFBDRO CC[NH+]1CCN([C@@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596123275 655513939 /nfs/dbraw/zinc/51/39/39/655513939.db2.gz MONVWOUBACRVLO-CYBMUJFWSA-N 1 0 383.290 2.574 20 5 GFBDRO C[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000727826921 655549697 /nfs/dbraw/zinc/54/96/97/655549697.db2.gz KLPOIFIMZYZWKJ-VIFPVBQESA-N 1 0 381.376 2.783 20 5 GFBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000749568749 655805832 /nfs/dbraw/zinc/80/58/32/655805832.db2.gz SKYOTBRICBTTOQ-VIFPVBQESA-N 1 0 376.638 2.835 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769907799 656299740 /nfs/dbraw/zinc/29/97/40/656299740.db2.gz MGCGBICYDCYNGO-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[NH+](C)C1(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000782391670 657137665 /nfs/dbraw/zinc/13/76/65/657137665.db2.gz LKEQXILMAQTGTF-UHFFFAOYSA-N 1 0 381.376 2.785 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000795335281 658807395 /nfs/dbraw/zinc/80/73/95/658807395.db2.gz OXJDVALDDGVTDF-CVEARBPZSA-N 1 0 399.216 2.853 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795877034 658865463 /nfs/dbraw/zinc/86/54/63/658865463.db2.gz VPAUKZAHGNMOSG-ZJUUUORDSA-N 1 0 379.841 2.538 20 5 GFBDRO Cc1ccc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1Br ZINC000804413791 659644380 /nfs/dbraw/zinc/64/43/80/659644380.db2.gz BOIOOKFNLHVCAL-LBPRGKRZSA-N 1 0 399.289 2.665 20 5 GFBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813752671 660062991 /nfs/dbraw/zinc/06/29/91/660062991.db2.gz WSUKIKIUJHZCQV-LBPRGKRZSA-N 1 0 387.889 2.743 20 5 GFBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841572923 661305319 /nfs/dbraw/zinc/30/53/19/661305319.db2.gz SOQAIDRVCAOWDE-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109259 661368547 /nfs/dbraw/zinc/36/85/47/661368547.db2.gz WYCLJSNPYFLVRV-WFASDCNBSA-N 1 0 384.479 2.532 20 5 GFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856805795 662044828 /nfs/dbraw/zinc/04/48/28/662044828.db2.gz WAUHXRLGRNUDCJ-NSHDSACASA-N 1 0 377.224 2.820 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000863573607 662336877 /nfs/dbraw/zinc/33/68/77/662336877.db2.gz BOLIDUJVZIVFEU-HNNXBMFYSA-N 1 0 398.301 2.948 20 5 GFBDRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863574320 662336879 /nfs/dbraw/zinc/33/68/79/662336879.db2.gz ZTQCIVZGNHFODA-CQSZACIVSA-N 1 0 382.214 2.584 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775867 662497132 /nfs/dbraw/zinc/49/71/32/662497132.db2.gz BEWIBWPXILPBLF-UKRRQHHQSA-N 1 0 396.285 2.843 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877360522 662874533 /nfs/dbraw/zinc/87/45/33/662874533.db2.gz MNCTWKMXJFJCRH-GZMMTYOYSA-N 1 0 396.163 2.567 20 5 GFBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877401844 662875614 /nfs/dbraw/zinc/87/56/14/662875614.db2.gz PZPUMCYWYWZTJP-QMMMGPOBSA-N 1 0 378.248 2.739 20 5 GFBDRO CO[C@H]1C[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000883262840 663052087 /nfs/dbraw/zinc/05/20/87/663052087.db2.gz WPCRWNQKCJXXRO-MJHDQNEOSA-N 1 0 376.194 2.714 20 5 GFBDRO C[NH+](C)CC1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889729081 663261726 /nfs/dbraw/zinc/26/17/26/663261726.db2.gz VODPZKWMVQQYLB-UHFFFAOYSA-N 1 0 399.289 2.841 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH2+]CCC23CCOCC3)c1 ZINC000903820213 663807761 /nfs/dbraw/zinc/80/77/61/663807761.db2.gz XMJVBQYVHUFULR-UHFFFAOYSA-N 1 0 384.274 2.702 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000933366327 664860577 /nfs/dbraw/zinc/86/05/77/664860577.db2.gz BERBEQJWXDBJAI-ZYHUDNBSSA-N 1 0 399.289 2.884 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC001164614208 719021560 /nfs/dbraw/zinc/02/15/60/719021560.db2.gz PPZDROVJJZJDNX-UHFFFAOYSA-N 1 0 396.875 2.887 20 5 GFBDRO COC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164621117 719069118 /nfs/dbraw/zinc/06/91/18/719069118.db2.gz HGKLXUIUTASPCB-VQIMIIECSA-N 1 0 396.447 2.877 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816409 720101419 /nfs/dbraw/zinc/10/14/19/720101419.db2.gz YQWIFOZWLJXTIN-KDOFPFPSSA-N 1 0 380.876 2.828 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768962 721121408 /nfs/dbraw/zinc/12/14/08/721121408.db2.gz OMJVTLHBDXJWJC-ROUUACIJSA-N 1 0 392.463 2.835 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1 ZINC001164911447 721527032 /nfs/dbraw/zinc/52/70/32/721527032.db2.gz WSFUSIVHBOKUHH-HOCLYGCPSA-N 1 0 376.363 2.610 20 5 GFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027157 721817571 /nfs/dbraw/zinc/81/75/71/721817571.db2.gz SRHWPNINPPOSOA-HQRMLTQVSA-N 1 0 397.479 2.669 20 5 GFBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001164925987 721873379 /nfs/dbraw/zinc/87/33/79/721873379.db2.gz PNDLLMRKFMVKST-MOPGFXCFSA-N 1 0 396.495 2.575 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000359978408 209208721 /nfs/dbraw/zinc/20/87/21/209208721.db2.gz ZTAUQSFCAGYBFF-CABCVRRESA-N 1 0 378.812 2.968 20 5 GFBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000053671950 551167225 /nfs/dbraw/zinc/16/72/25/551167225.db2.gz AYJVZULPPDWYKN-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000106479272 551200176 /nfs/dbraw/zinc/20/01/76/551200176.db2.gz BZADMMYEABDIJT-CQSZACIVSA-N 1 0 383.290 2.574 20 5 GFBDRO Cc1sc(S(=O)(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000123282458 551304659 /nfs/dbraw/zinc/30/46/59/551304659.db2.gz SDLYEOZNTSFQMX-UHFFFAOYSA-N 1 0 375.516 2.706 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000124403552 551314193 /nfs/dbraw/zinc/31/41/93/551314193.db2.gz KKWAVDSSWDFQTL-NHYWBVRUSA-N 1 0 382.258 2.914 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])n1 ZINC000159142098 551561234 /nfs/dbraw/zinc/56/12/34/551561234.db2.gz VSSTVUVAEGMSHS-LBPRGKRZSA-N 1 0 378.479 2.978 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160180911 551576667 /nfs/dbraw/zinc/57/66/67/551576667.db2.gz ORWUSKLDPYSOKO-ZDUSSCGKSA-N 1 0 387.889 2.887 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000180174538 552216083 /nfs/dbraw/zinc/21/60/83/552216083.db2.gz YZSXWJWDMCCCFF-STQMWFEESA-N 1 0 387.889 2.661 20 5 GFBDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000181505654 552259043 /nfs/dbraw/zinc/25/90/43/552259043.db2.gz FHTUAABVXOBIGK-LBPRGKRZSA-N 1 0 383.495 2.902 20 5 GFBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCC[NH+]1CCOCC1 ZINC000182214416 552278289 /nfs/dbraw/zinc/27/82/89/552278289.db2.gz QUVWVZINAGBUBO-UHFFFAOYSA-N 1 0 387.889 2.569 20 5 GFBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182637352 552289626 /nfs/dbraw/zinc/28/96/26/552289626.db2.gz RQCJUZWNFWYIBE-ZDUSSCGKSA-N 1 0 387.889 2.567 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000183728200 552318141 /nfs/dbraw/zinc/31/81/41/552318141.db2.gz GJPAXFJOENSPDA-CHWSQXEVSA-N 1 0 389.905 2.907 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188229793 552439859 /nfs/dbraw/zinc/43/98/59/552439859.db2.gz KKSFGEOQTCXNEJ-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000237206012 553076146 /nfs/dbraw/zinc/07/61/46/553076146.db2.gz VPSJRWKAMQAZLG-VIFPVBQESA-N 1 0 382.269 2.522 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245533611 553092059 /nfs/dbraw/zinc/09/20/59/553092059.db2.gz YJERMXOWQFFURN-MFKMUULPSA-N 1 0 382.258 2.974 20 5 GFBDRO C[NH+](C)[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000567002841 564353247 /nfs/dbraw/zinc/35/32/47/564353247.db2.gz JKRZVZPXBOJLAV-CQSZACIVSA-N 1 0 389.237 2.629 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCSC1 ZINC000295125317 563230070 /nfs/dbraw/zinc/23/00/70/563230070.db2.gz HMJBXUVGYUBSLI-AWEZNQCLSA-N 1 0 377.388 2.781 20 5 GFBDRO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420481555 563265767 /nfs/dbraw/zinc/26/57/67/563265767.db2.gz RJCIMLNLYYCUSG-IUCAKERBSA-N 1 0 382.269 2.507 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000373180472 563331081 /nfs/dbraw/zinc/33/10/81/563331081.db2.gz USGDAPCDLOTMPR-IINYFYTJSA-N 1 0 383.246 2.915 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000375537945 563409004 /nfs/dbraw/zinc/40/90/04/563409004.db2.gz VOAVQEXADLUERR-IINYFYTJSA-N 1 0 383.246 2.915 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000301667872 563409437 /nfs/dbraw/zinc/40/94/37/563409437.db2.gz MKECTXWIQNJQEL-CYBMUJFWSA-N 1 0 384.274 2.906 20 5 GFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000330557337 563511244 /nfs/dbraw/zinc/51/12/44/563511244.db2.gz WPQXDJKUTYMXMW-STQMWFEESA-N 1 0 377.388 2.731 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc(I)s2)cc1 ZINC000286547951 563564483 /nfs/dbraw/zinc/56/44/83/563564483.db2.gz OLZOMQZURQZQJT-UHFFFAOYSA-N 1 0 389.218 2.988 20 5 GFBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000289554312 563678950 /nfs/dbraw/zinc/67/89/50/563678950.db2.gz PAJUOOIGJASKES-GXSJLCMTSA-N 1 0 376.194 2.714 20 5 GFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289836267 563688831 /nfs/dbraw/zinc/68/88/31/563688831.db2.gz LNSCAUWOHKNAIW-GXFFZTMASA-N 1 0 391.852 2.635 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000289938972 563692182 /nfs/dbraw/zinc/69/21/82/563692182.db2.gz PNUQMXCVRNOERS-SNVBAGLBSA-N 1 0 376.194 2.716 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCSC1 ZINC000437359863 563694597 /nfs/dbraw/zinc/69/45/97/563694597.db2.gz QKQFSZVDRDZLJT-AWEZNQCLSA-N 1 0 377.388 2.781 20 5 GFBDRO COc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000414080501 563718145 /nfs/dbraw/zinc/71/81/45/563718145.db2.gz TXDAZKLSCPLQML-LLVKDONJSA-N 1 0 396.241 2.706 20 5 GFBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292197129 563777764 /nfs/dbraw/zinc/77/77/64/563777764.db2.gz PDQMAGJRGFOYET-NSHDSACASA-N 1 0 378.256 2.988 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367885591 563858435 /nfs/dbraw/zinc/85/84/35/563858435.db2.gz MFZRDXJXOMUINN-IUODEOHRSA-N 1 0 387.889 2.709 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158479 563894570 /nfs/dbraw/zinc/89/45/70/563894570.db2.gz DLFCWKVBUNWIHC-ZDUSSCGKSA-N 1 0 389.905 2.895 20 5 GFBDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000564249364 564226675 /nfs/dbraw/zinc/22/66/75/564226675.db2.gz BBDDTVYFBGNZNW-LBPRGKRZSA-N 1 0 375.516 2.538 20 5 GFBDRO C[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567003033 564353598 /nfs/dbraw/zinc/35/35/98/564353598.db2.gz RUCCCEDUEHMQMZ-MFKMUULPSA-N 1 0 389.237 2.772 20 5 GFBDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513007735 564417678 /nfs/dbraw/zinc/41/76/78/564417678.db2.gz VNRYBHOFFLBCNL-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000571316427 564545519 /nfs/dbraw/zinc/54/55/19/564545519.db2.gz ZMDDIYUYBIWURZ-MRXNPFEDSA-N 1 0 395.253 2.929 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483258682 564562064 /nfs/dbraw/zinc/56/20/64/564562064.db2.gz UNFVIUNOTLXPMG-ZDUSSCGKSA-N 1 0 378.738 2.787 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1sccc1Br ZINC000519765374 564590174 /nfs/dbraw/zinc/59/01/74/564590174.db2.gz KQGHUOSHMKHNIR-SNVBAGLBSA-N 1 0 387.255 2.948 20 5 GFBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000573801620 564655538 /nfs/dbraw/zinc/65/55/38/564655538.db2.gz FPVIJNGYCMXCPX-JTQLQIEISA-N 1 0 381.376 2.506 20 5 GFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000459743931 564760196 /nfs/dbraw/zinc/76/01/96/564760196.db2.gz QPRYPIOBLPTSNC-OLZOCXBDSA-N 1 0 376.194 2.857 20 5 GFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000583025710 564873054 /nfs/dbraw/zinc/87/30/54/564873054.db2.gz JTDXHSIWXOCCRR-FVGKDHOHSA-N 1 0 382.258 2.532 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000584081699 564919720 /nfs/dbraw/zinc/91/97/20/564919720.db2.gz HWMBXEXEZBOVBF-UONOGXRCSA-N 1 0 388.205 2.857 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1CC[NH+](C2CC2)CC1 ZINC000470325195 565042974 /nfs/dbraw/zinc/04/29/74/565042974.db2.gz CJRICULCCLAINI-UHFFFAOYSA-N 1 0 396.285 2.890 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(CO)CCCCC2)c1 ZINC000589256840 565157581 /nfs/dbraw/zinc/15/75/81/565157581.db2.gz OGGRTFHJNIGTRD-UHFFFAOYSA-N 1 0 390.221 2.984 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000595992437 565504353 /nfs/dbraw/zinc/50/43/53/565504353.db2.gz QUHGURVURBGLLS-INIZCTEOSA-N 1 0 378.479 2.993 20 5 GFBDRO Cc1c(Br)c(N[C@@H](C)CN(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596361540 565521101 /nfs/dbraw/zinc/52/11/01/565521101.db2.gz VQEOBSVBEJUINR-NSHDSACASA-N 1 0 388.310 2.745 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCSC1 ZINC000599629188 565693950 /nfs/dbraw/zinc/69/39/50/565693950.db2.gz GQLOJPRBNKOFJZ-CQSZACIVSA-N 1 0 388.287 2.524 20 5 GFBDRO CCC1([NH+]2CCCC2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000601217662 565772263 /nfs/dbraw/zinc/77/22/63/565772263.db2.gz LOKXERSYFSVPEM-UHFFFAOYSA-N 1 0 387.527 2.905 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290617 565837845 /nfs/dbraw/zinc/83/78/45/565837845.db2.gz IFLFNCWPWMYAQR-AAEUAGOBSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000602584235 565856495 /nfs/dbraw/zinc/85/64/95/565856495.db2.gz YSSUCEINBWBBCB-ZANVPECISA-N 1 0 377.260 2.847 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000603383568 565902769 /nfs/dbraw/zinc/90/27/69/565902769.db2.gz OZBWFDJNUYNNQT-UHFFFAOYSA-N 1 0 387.889 2.663 20 5 GFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609353173 566036555 /nfs/dbraw/zinc/03/65/55/566036555.db2.gz PMYIEVPIQWRETK-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738359483 598674088 /nfs/dbraw/zinc/67/40/88/598674088.db2.gz RVKZAWOHUXNKPL-HNNXBMFYSA-N 1 0 385.472 2.867 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000826500389 607524408 /nfs/dbraw/zinc/52/44/08/607524408.db2.gz WVDMHUZUCRBRTF-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822229599 606417171 /nfs/dbraw/zinc/41/71/71/606417171.db2.gz XWCRGCZDIFCUAN-OLZOCXBDSA-N 1 0 395.423 2.761 20 5 GFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826293521 608463368 /nfs/dbraw/zinc/46/33/68/608463368.db2.gz RUYBDAQYMLUPEX-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c(F)c1 ZINC000826498357 609336778 /nfs/dbraw/zinc/33/67/78/609336778.db2.gz RBDMQPAZOVDXBW-UHFFFAOYSA-N 1 0 388.428 2.937 20 5 GFBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccsc1 ZINC000825427527 660426716 /nfs/dbraw/zinc/42/67/16/660426716.db2.gz CRFAWGURMHWJMO-GFCCVEGCSA-N 1 0 399.270 2.847 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830321856 660648329 /nfs/dbraw/zinc/64/83/29/660648329.db2.gz DQWBKMKTKMWUTE-SNVBAGLBSA-N 1 0 396.296 2.912 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1Cl ZINC000830357193 660649895 /nfs/dbraw/zinc/64/98/95/660649895.db2.gz MKTFJERZGAHPJF-JTQLQIEISA-N 1 0 394.280 2.760 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000832763766 660798881 /nfs/dbraw/zinc/79/88/81/660798881.db2.gz DUAXKKPXJOGHNM-LBPRGKRZSA-N 1 0 375.878 2.660 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266255392 654866931 /nfs/dbraw/zinc/86/69/31/654866931.db2.gz CLBKOTFNJLHEHO-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000151751114 655053933 /nfs/dbraw/zinc/05/39/33/655053933.db2.gz GKIOOBCBDREVIO-UHFFFAOYSA-N 1 0 389.905 2.955 20 5 GFBDRO C[NH+]1CCC(C)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000273030222 655128088 /nfs/dbraw/zinc/12/80/88/655128088.db2.gz SUFKUXMFIJYYGO-UHFFFAOYSA-N 1 0 388.237 2.958 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277086724 655302714 /nfs/dbraw/zinc/30/27/14/655302714.db2.gz USTCIKFXEZIPBG-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCSC1 ZINC000277112853 655303913 /nfs/dbraw/zinc/30/39/13/655303913.db2.gz DPQNCEJWLGZJKD-AWEZNQCLSA-N 1 0 388.287 2.524 20 5 GFBDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178655969 655307211 /nfs/dbraw/zinc/30/72/11/655307211.db2.gz AVXSVNVGCXFGIR-LLVKDONJSA-N 1 0 377.413 2.510 20 5 GFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120568475 655339389 /nfs/dbraw/zinc/33/93/89/655339389.db2.gz LWYHATPUFRQHRI-GFCCVEGCSA-N 1 0 384.274 2.748 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246258560 655429676 /nfs/dbraw/zinc/42/96/76/655429676.db2.gz KQPQDKRUSDXKQO-TZMCWYRMSA-N 1 0 387.889 2.661 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729481686 655564822 /nfs/dbraw/zinc/56/48/22/655564822.db2.gz HTRHKKKJNNBBLB-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754636906 655870712 /nfs/dbraw/zinc/87/07/12/655870712.db2.gz SBACSZMXYJEYHX-SNVBAGLBSA-N 1 0 388.237 2.958 20 5 GFBDRO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764189908 656104135 /nfs/dbraw/zinc/10/41/35/656104135.db2.gz ZQXXVNVQFJKYLF-DZGCQCFKSA-N 1 0 397.317 2.820 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000771555469 656352857 /nfs/dbraw/zinc/35/28/57/656352857.db2.gz GGOPPGXMXRUNBS-GFCCVEGCSA-N 1 0 375.878 2.708 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000776582691 656762497 /nfs/dbraw/zinc/76/24/97/656762497.db2.gz TXBHQKOUGBFRKE-INIZCTEOSA-N 1 0 395.257 2.924 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000782082410 657101696 /nfs/dbraw/zinc/10/16/96/657101696.db2.gz DJFULGDGYNUSTP-CVEARBPZSA-N 1 0 381.226 2.714 20 5 GFBDRO Cc1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1Br ZINC000786803492 657467209 /nfs/dbraw/zinc/46/72/09/657467209.db2.gz GZTMQDQIODMSFJ-ZDUSSCGKSA-N 1 0 384.274 2.824 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000795335282 658807497 /nfs/dbraw/zinc/80/74/97/658807497.db2.gz OXJDVALDDGVTDF-HOTGVXAUSA-N 1 0 399.216 2.853 20 5 GFBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795806329 658853172 /nfs/dbraw/zinc/85/31/72/658853172.db2.gz USODCTUWDIQZCT-UHFFFAOYSA-N 1 0 393.868 2.929 20 5 GFBDRO C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)(C)C[NH+](C)C ZINC000795879089 658866337 /nfs/dbraw/zinc/86/63/37/658866337.db2.gz BRZABQNUPQYLFN-VIFPVBQESA-N 1 0 381.857 2.642 20 5 GFBDRO CN(c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000798394657 659099114 /nfs/dbraw/zinc/09/91/14/659099114.db2.gz MQVBXGLTMQGUMF-HNNXBMFYSA-N 1 0 397.317 2.962 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000809815356 659941193 /nfs/dbraw/zinc/94/11/93/659941193.db2.gz FBBYQQUNBCGEKP-SNVBAGLBSA-N 1 0 394.280 2.664 20 5 GFBDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811473648 660009932 /nfs/dbraw/zinc/00/99/32/660009932.db2.gz HCLWWBPRPOKMCE-UHFFFAOYSA-N 1 0 384.285 2.663 20 5 GFBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813451801 660054355 /nfs/dbraw/zinc/05/43/55/660054355.db2.gz RDGFMANLBMLUBI-NSHDSACASA-N 1 0 389.283 2.657 20 5 GFBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000813530399 660056307 /nfs/dbraw/zinc/05/63/07/660056307.db2.gz LZRNDCKMTPAKOO-JTQLQIEISA-N 1 0 390.267 2.819 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000814988708 660100355 /nfs/dbraw/zinc/10/03/55/660100355.db2.gz SPXVPPDUXHGTID-WDEREUQCSA-N 1 0 393.868 2.786 20 5 GFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045099 660106708 /nfs/dbraw/zinc/10/67/08/660106708.db2.gz MVXPUHXOLJNOAK-UHFFFAOYSA-N 1 0 393.868 2.884 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000842481079 661341096 /nfs/dbraw/zinc/34/10/96/661341096.db2.gz FWIACCFQPNUYCU-CHWSQXEVSA-N 1 0 387.889 2.852 20 5 GFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843502488 661383495 /nfs/dbraw/zinc/38/34/95/661383495.db2.gz CWZBNJRTRBJATG-SNVBAGLBSA-N 1 0 386.221 2.901 20 5 GFBDRO C[C@H]1CC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[NH2+]1 ZINC000861690354 662255261 /nfs/dbraw/zinc/25/52/61/662255261.db2.gz NSUHEPZEVSHNQD-QWRGUYRKSA-N 1 0 397.273 2.566 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000864666921 662382889 /nfs/dbraw/zinc/38/28/89/662382889.db2.gz ZJKMNZJLDSKHKQ-UHFFFAOYSA-N 1 0 382.258 2.643 20 5 GFBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000867350231 662544288 /nfs/dbraw/zinc/54/42/88/662544288.db2.gz YQLSZPJYPRQQDU-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000867621479 662563629 /nfs/dbraw/zinc/56/36/29/662563629.db2.gz UDBVVNVFSYLTOD-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877363049 662874614 /nfs/dbraw/zinc/87/46/14/662874614.db2.gz AZMCTOHFAWYJJV-XCBNKYQSSA-N 1 0 396.163 2.567 20 5 GFBDRO COC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000895858516 663530541 /nfs/dbraw/zinc/53/05/41/663530541.db2.gz KALIROBWBADZKH-BXKDBHETSA-N 1 0 379.276 2.950 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1Br ZINC000897227846 663596110 /nfs/dbraw/zinc/59/61/10/663596110.db2.gz ICSGUZRQSXYKPP-NSHDSACASA-N 1 0 390.303 2.762 20 5 GFBDRO COc1cc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc([N+](=O)[O-])c1 ZINC000903177387 663777191 /nfs/dbraw/zinc/77/71/91/663777191.db2.gz METYIMNZEOUITI-NSHDSACASA-N 1 0 396.241 2.878 20 5 GFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000905358309 663867246 /nfs/dbraw/zinc/86/72/46/663867246.db2.gz HAUOMWDXQGRXHD-OAHLLOKOSA-N 1 0 387.889 2.647 20 5 GFBDRO C[C@@]1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912374954 664284308 /nfs/dbraw/zinc/28/43/08/664284308.db2.gz RWXWQECZYNOPTM-MRXNPFEDSA-N 1 0 382.258 2.500 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923737149 664637240 /nfs/dbraw/zinc/63/72/40/664637240.db2.gz XCZKEZGPEIVYAH-AWEZNQCLSA-N 1 0 394.280 2.808 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000925761626 664674387 /nfs/dbraw/zinc/67/43/87/664674387.db2.gz DADHVIWSOURQQK-ZNMIVQPWSA-N 1 0 384.274 2.604 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000931252404 664789293 /nfs/dbraw/zinc/78/92/93/664789293.db2.gz JGWLFZFQCOIZFH-PHIMTYICSA-N 1 0 383.246 2.691 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933769821 664877630 /nfs/dbraw/zinc/87/76/30/664877630.db2.gz BEMKIGLXKQIVJZ-NSHDSACASA-N 1 0 399.289 2.743 20 5 GFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495589 664908807 /nfs/dbraw/zinc/90/88/07/664908807.db2.gz FBXRCXVOIWRQLW-DLBZAZTESA-N 1 0 395.253 2.888 20 5 GFBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N)c([N+](=O)[O-])cn2)CC3)cs1 ZINC001164693929 719810479 /nfs/dbraw/zinc/81/04/79/719810479.db2.gz SGXLYJYLCBQLIM-UHFFFAOYSA-N 1 0 388.497 2.972 20 5 GFBDRO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728771 720432780 /nfs/dbraw/zinc/43/27/80/720432780.db2.gz GIMLQFSXXCBNJF-RJOCJTBNSA-N 1 0 394.479 2.770 20 5 GFBDRO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840576 720520279 /nfs/dbraw/zinc/52/02/79/720520279.db2.gz WJQFHHVQEYLUIG-OKZBNKHCSA-N 1 0 384.484 2.873 20 5 GFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838466 720529580 /nfs/dbraw/zinc/52/95/80/720529580.db2.gz OADWRNZXEZSAKD-QILLFSRXSA-N 1 0 388.447 2.703 20 5 GFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027159 721817742 /nfs/dbraw/zinc/81/77/42/721817742.db2.gz SRHWPNINPPOSOA-ILZDJORESA-N 1 0 397.479 2.669 20 5 GFBDRO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930179 721882316 /nfs/dbraw/zinc/88/23/16/721882316.db2.gz CIPLZWVFSLCSHM-OALUTQOASA-N 1 0 396.495 2.575 20 5 GFBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930178 721882506 /nfs/dbraw/zinc/88/25/06/721882506.db2.gz CIPLZWVFSLCSHM-MOPGFXCFSA-N 1 0 396.495 2.575 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000414589948 563747885 /nfs/dbraw/zinc/74/78/85/563747885.db2.gz XIICQOOGIRGVQG-GWCFXTLKSA-N 1 0 390.221 2.840 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110375827 551204221 /nfs/dbraw/zinc/20/42/21/551204221.db2.gz OVVJVPSFHNUGBP-NSHDSACASA-N 1 0 377.413 2.735 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000126136867 551326620 /nfs/dbraw/zinc/32/66/20/551326620.db2.gz JBVJQUNGPGVHMV-QWHCGFSZSA-N 1 0 382.258 2.974 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000131032302 551371304 /nfs/dbraw/zinc/37/13/04/551371304.db2.gz IIPZQRZDJLCARS-AWEZNQCLSA-N 1 0 381.226 2.887 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000150966398 551404733 /nfs/dbraw/zinc/40/47/33/551404733.db2.gz KJTAIMGGVBSOQM-CQSZACIVSA-N 1 0 382.258 2.597 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000153143577 551447509 /nfs/dbraw/zinc/44/75/09/551447509.db2.gz IWZLFSKTVMEQCD-CYBMUJFWSA-N 1 0 382.258 2.500 20 5 GFBDRO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(-n2ccnc2)cc1 ZINC000188082387 552434208 /nfs/dbraw/zinc/43/42/08/552434208.db2.gz RSJAIUWPHJIBPW-UHFFFAOYSA-N 1 0 375.182 2.753 20 5 GFBDRO C[C@H]1CSCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000190464751 552497755 /nfs/dbraw/zinc/49/77/55/552497755.db2.gz YJDGSQXLPIMXCH-SNVBAGLBSA-N 1 0 388.287 2.981 20 5 GFBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000192943064 552978417 /nfs/dbraw/zinc/97/84/17/552978417.db2.gz VFTXIUQNOKFCKI-UHFFFAOYSA-N 1 0 383.392 2.576 20 5 GFBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000236651692 553070347 /nfs/dbraw/zinc/07/03/47/553070347.db2.gz NUGOUXVQBIIIEN-LLVKDONJSA-N 1 0 384.285 2.896 20 5 GFBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000237316380 553076551 /nfs/dbraw/zinc/07/65/51/553076551.db2.gz VPSJRWKAMQAZLG-SECBINFHSA-N 1 0 382.269 2.522 20 5 GFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237397889 553076958 /nfs/dbraw/zinc/07/69/58/553076958.db2.gz IYSUGBCSMFQQOE-KCJUWKMLSA-N 1 0 382.269 2.792 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369540572 563216164 /nfs/dbraw/zinc/21/61/64/563216164.db2.gz ORXRPIVAFGFNCN-WBMJQRKESA-N 1 0 381.479 2.628 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369538670 563216623 /nfs/dbraw/zinc/21/66/23/563216623.db2.gz DMFWFSAWDWGKIQ-IINYFYTJSA-N 1 0 387.508 2.689 20 5 GFBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420451030 563263705 /nfs/dbraw/zinc/26/37/05/563263705.db2.gz BHHCWHPRRFMNFA-HNNXBMFYSA-N 1 0 383.857 2.789 20 5 GFBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420457201 563263803 /nfs/dbraw/zinc/26/38/03/563263803.db2.gz HSELFQJFGXHPHF-CQSZACIVSA-N 1 0 383.857 2.789 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868729 563274164 /nfs/dbraw/zinc/27/41/64/563274164.db2.gz XSCJNEFSCVERAB-ZJUUUORDSA-N 1 0 388.287 2.975 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373550643 563341652 /nfs/dbraw/zinc/34/16/52/563341652.db2.gz HVZOXKVQCQQHJC-IAQYHMDHSA-N 1 0 382.258 2.962 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423968069 563365794 /nfs/dbraw/zinc/36/57/94/563365794.db2.gz HQJKVABPEYSHMJ-CJNGLKHVSA-N 1 0 396.285 2.890 20 5 GFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000281150558 563367581 /nfs/dbraw/zinc/36/75/81/563367581.db2.gz KOJFXJWPSLGXDQ-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000374292892 563367582 /nfs/dbraw/zinc/36/75/82/563367582.db2.gz GHUVMQMJRKLVDR-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000376412187 563441273 /nfs/dbraw/zinc/44/12/73/563441273.db2.gz HDXCTLXHQIOTLU-BLLLJJGKSA-N 1 0 396.285 2.985 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000320280610 563446537 /nfs/dbraw/zinc/44/65/37/563446537.db2.gz NUERSXKARQJJRU-HNNXBMFYSA-N 1 0 381.226 2.887 20 5 GFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000330563120 563511296 /nfs/dbraw/zinc/51/12/96/563511296.db2.gz JURMAPWUJLTJGZ-NWDGAFQWSA-N 1 0 399.289 2.710 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405209061 563538152 /nfs/dbraw/zinc/53/81/52/563538152.db2.gz BVSBOKPMXLXKJJ-HZMBPMFUSA-N 1 0 375.878 2.695 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000331581266 563553901 /nfs/dbraw/zinc/55/39/01/563553901.db2.gz WPYTZOQNSXGLJK-VFZGTOFNSA-N 1 0 382.258 2.878 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332046522 563572484 /nfs/dbraw/zinc/57/24/84/563572484.db2.gz MKBGQIYKAQGVAC-LSDHHAIUSA-N 1 0 382.258 2.643 20 5 GFBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000414109653 563719394 /nfs/dbraw/zinc/71/93/94/563719394.db2.gz VBVUYSKYYLWXLQ-GFCCVEGCSA-N 1 0 380.242 2.740 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365407261 563782430 /nfs/dbraw/zinc/78/24/30/563782430.db2.gz VSGSAHYUQPTREW-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416480813 563835632 /nfs/dbraw/zinc/83/56/32/563835632.db2.gz AQSNTXGBXNQBAW-JTQLQIEISA-N 1 0 383.392 2.621 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000540172711 564240844 /nfs/dbraw/zinc/24/08/44/564240844.db2.gz SXJQHKFWGKQYOA-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000476633307 564349361 /nfs/dbraw/zinc/34/93/61/564349361.db2.gz KHLGEJDJIYASNP-UHFFFAOYSA-N 1 0 375.516 2.979 20 5 GFBDRO C[NH+](C)CC(C)(C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000453629231 564460458 /nfs/dbraw/zinc/46/04/58/564460458.db2.gz YOCIBSIHXWYPGZ-UHFFFAOYSA-N 1 0 377.226 2.629 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000480896150 564494784 /nfs/dbraw/zinc/49/47/84/564494784.db2.gz JGBCVGXMUNZHOA-BZNIZROVSA-N 1 0 383.495 2.934 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000518658883 564559930 /nfs/dbraw/zinc/55/99/30/564559930.db2.gz ZERAGMALEPVPRU-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO CC(C)(O)C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000573022610 564620224 /nfs/dbraw/zinc/62/02/24/564620224.db2.gz MPJPOCMADCDGAR-UHFFFAOYSA-N 1 0 390.221 2.935 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCOC(F)F)c1 ZINC000573371165 564634831 /nfs/dbraw/zinc/63/48/31/564634831.db2.gz QECSJSUUTQKLHO-UHFFFAOYSA-N 1 0 386.136 2.918 20 5 GFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000551312818 564646463 /nfs/dbraw/zinc/64/64/63/564646463.db2.gz BAQXPQZTBCTFNM-LLVKDONJSA-N 1 0 396.241 2.706 20 5 GFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000551312819 564646530 /nfs/dbraw/zinc/64/65/30/564646530.db2.gz BAQXPQZTBCTFNM-NSHDSACASA-N 1 0 396.241 2.706 20 5 GFBDRO O=C(CC[NH2+]CCCn1cc(Br)cn1)Nc1ccccc1[N+](=O)[O-] ZINC000583626785 564900621 /nfs/dbraw/zinc/90/06/21/564900621.db2.gz KAVZCEJONDIGPP-UHFFFAOYSA-N 1 0 396.245 2.562 20 5 GFBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000583993743 564916226 /nfs/dbraw/zinc/91/62/26/564916226.db2.gz UYTBKPDHEFVTSG-VIFPVBQESA-N 1 0 386.239 2.945 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(I)cc3[N+](=O)[O-])C2)C1 ZINC000558953038 564918853 /nfs/dbraw/zinc/91/88/53/564918853.db2.gz KLZALAIDLVNDBD-CQSZACIVSA-N 1 0 387.221 2.731 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000584081700 564919864 /nfs/dbraw/zinc/91/98/64/564919864.db2.gz HWMBXEXEZBOVBF-ZIAGYGMSSA-N 1 0 388.205 2.857 20 5 GFBDRO Cc1sc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467406841 564962378 /nfs/dbraw/zinc/96/23/78/564962378.db2.gz LHGYVSAMSMHCFZ-TXEJJXNPSA-N 1 0 375.516 2.611 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000561405441 564994039 /nfs/dbraw/zinc/99/40/39/564994039.db2.gz GWCABSUIQUCFLG-GFCCVEGCSA-N 1 0 387.221 2.526 20 5 GFBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037952 565016454 /nfs/dbraw/zinc/01/64/54/565016454.db2.gz FTHDXAFGFNIFOA-KGLIPLIRSA-N 1 0 390.221 2.840 20 5 GFBDRO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC000593735898 565359636 /nfs/dbraw/zinc/35/96/36/565359636.db2.gz QFUDCRYMUBOTLZ-XPTSAGLGSA-N 1 0 394.280 2.651 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000594971330 565438829 /nfs/dbraw/zinc/43/88/29/565438829.db2.gz FCFBFVQUGGMMQB-LLVKDONJSA-N 1 0 398.147 2.713 20 5 GFBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000599100936 565656624 /nfs/dbraw/zinc/65/66/24/565656624.db2.gz FSWWYWRHDDYKQU-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1Br ZINC000602516101 565852452 /nfs/dbraw/zinc/85/24/52/565852452.db2.gz HEAYIXIMJIORCG-JTQLQIEISA-N 1 0 398.286 2.967 20 5 GFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000602577464 565856412 /nfs/dbraw/zinc/85/64/12/565856412.db2.gz UVFXLAPZIKTBLF-UHFFFAOYSA-N 1 0 380.388 2.918 20 5 GFBDRO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602704461 565863246 /nfs/dbraw/zinc/86/32/46/565863246.db2.gz FKRYEPABRBQGJG-UHFFFAOYSA-N 1 0 380.388 2.918 20 5 GFBDRO C[C@@H]([NH2+]C(C)(C)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820403104 606706057 /nfs/dbraw/zinc/70/60/57/606706057.db2.gz HSERXIAKKODGEH-GFCCVEGCSA-N 1 0 382.428 2.711 20 5 GFBDRO C[C@@H](CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCCC1 ZINC000824400533 609605852 /nfs/dbraw/zinc/60/58/52/609605852.db2.gz JCJXEVMXSPUFIU-ZDUSSCGKSA-N 1 0 396.455 3.000 20 5 GFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830184742 660640581 /nfs/dbraw/zinc/64/05/81/660640581.db2.gz NFDPTWICKKCPGR-UHFFFAOYSA-N 1 0 385.262 2.700 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830434888 660656352 /nfs/dbraw/zinc/65/63/52/660656352.db2.gz NWAUAELCYSRJMP-VIFPVBQESA-N 1 0 382.269 2.522 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000832298940 660772137 /nfs/dbraw/zinc/77/21/37/660772137.db2.gz VLQVRUNXXUHDBO-UHFFFAOYSA-N 1 0 377.894 2.955 20 5 GFBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124459546 654776261 /nfs/dbraw/zinc/77/62/61/654776261.db2.gz OEHQHXKCZNXGKP-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000060949441 654834633 /nfs/dbraw/zinc/83/46/33/654834633.db2.gz ORKNBNIVRRDDEV-UHFFFAOYSA-N 1 0 377.894 2.954 20 5 GFBDRO CC[NH2+]CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000269203760 655001687 /nfs/dbraw/zinc/00/16/87/655001687.db2.gz ZMEAPEPLOHQTQW-UHFFFAOYSA-N 1 0 388.237 2.958 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101576291 655044822 /nfs/dbraw/zinc/04/48/22/655044822.db2.gz UTTLXUSSRIXTDU-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173923413 655185806 /nfs/dbraw/zinc/18/58/06/655185806.db2.gz UXHQQDGWBXMQQU-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173924530 655185973 /nfs/dbraw/zinc/18/59/73/655185973.db2.gz KOKJCECYCXHVCQ-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115585409 655239494 /nfs/dbraw/zinc/23/94/94/655239494.db2.gz RVIWRBLLRDPQOO-GFCCVEGCSA-N 1 0 375.878 2.519 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118994492 655286129 /nfs/dbraw/zinc/28/61/29/655286129.db2.gz PEJYZWKFPLTSQT-CJNGLKHVSA-N 1 0 396.285 2.843 20 5 GFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000178544976 655304584 /nfs/dbraw/zinc/30/45/84/655304584.db2.gz CCRXTQJXBRDDHR-VIFPVBQESA-N 1 0 384.223 2.508 20 5 GFBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119606363 655308765 /nfs/dbraw/zinc/30/87/65/655308765.db2.gz UWNHMHHPSWPXME-UHFFFAOYSA-N 1 0 383.495 2.977 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246063010 655428852 /nfs/dbraw/zinc/42/88/52/655428852.db2.gz DKDQKBIQBWZFTF-AAEUAGOBSA-N 1 0 375.878 2.599 20 5 GFBDRO C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000596177217 655514537 /nfs/dbraw/zinc/51/45/37/655514537.db2.gz CSHQKCNHYDRZFV-ZFWWWQNUSA-N 1 0 397.317 2.820 20 5 GFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732013203 655590578 /nfs/dbraw/zinc/59/05/78/655590578.db2.gz HSFPIMXSDARLAG-NSHDSACASA-N 1 0 377.413 2.558 20 5 GFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000763624433 656088384 /nfs/dbraw/zinc/08/83/84/656088384.db2.gz WRJXOSSFYOIRBV-UHFFFAOYSA-N 1 0 375.466 2.785 20 5 GFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161160 661240372 /nfs/dbraw/zinc/24/03/72/661240372.db2.gz KNMCRTUYWJHYFN-WPRPVWTQSA-N 1 0 375.198 2.521 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000784719618 657323769 /nfs/dbraw/zinc/32/37/69/657323769.db2.gz DGWWREKYPDPUOA-WCQYABFASA-N 1 0 389.905 2.955 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791421151 658095390 /nfs/dbraw/zinc/09/53/90/658095390.db2.gz ICDXNVYZWRSPEC-SECBINFHSA-N 1 0 382.269 2.616 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000795805200 658853245 /nfs/dbraw/zinc/85/32/45/658853245.db2.gz DUNSHHVIHOEZPF-UHFFFAOYSA-N 1 0 391.852 2.540 20 5 GFBDRO C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)(C)C[NH+](C)C ZINC000795879088 658866225 /nfs/dbraw/zinc/86/62/25/658866225.db2.gz BRZABQNUPQYLFN-SECBINFHSA-N 1 0 381.857 2.642 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000796117313 658893916 /nfs/dbraw/zinc/89/39/16/658893916.db2.gz XBJYWNBSJXKBFX-QWHCGFSZSA-N 1 0 387.889 2.804 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809444 659940696 /nfs/dbraw/zinc/94/06/96/659940696.db2.gz XZCAIRDUTPZTLI-RYUDHWBXSA-N 1 0 394.280 2.807 20 5 GFBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809828602 659945390 /nfs/dbraw/zinc/94/53/90/659945390.db2.gz OAOHIEJKKKJQPS-UHFFFAOYSA-N 1 0 393.868 2.786 20 5 GFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809847383 659948905 /nfs/dbraw/zinc/94/89/05/659948905.db2.gz RFJRIGWQJQFLLT-JTQLQIEISA-N 1 0 381.857 2.786 20 5 GFBDRO COC1CC[NH+](CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813474134 660055196 /nfs/dbraw/zinc/05/51/96/660055196.db2.gz NINNJMOPPVRKIX-UHFFFAOYSA-N 1 0 376.240 2.742 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000815003335 660100799 /nfs/dbraw/zinc/10/07/99/660100799.db2.gz OZBYVJZAFYQXNC-NSHDSACASA-N 1 0 393.868 2.786 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034805 660105172 /nfs/dbraw/zinc/10/51/72/660105172.db2.gz CEAICPGLJNFALJ-WDEREUQCSA-N 1 0 393.868 2.786 20 5 GFBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841956734 661318552 /nfs/dbraw/zinc/31/85/52/661318552.db2.gz BEHUERXEFLQZBV-NSHDSACASA-N 1 0 399.289 2.943 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000842481927 661341439 /nfs/dbraw/zinc/34/14/39/661341439.db2.gz MJOSXZNWJOUWBB-QWHCGFSZSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000851894391 661843828 /nfs/dbraw/zinc/84/38/28/661843828.db2.gz CGFRXZLVQQOAOX-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000856415293 662032660 /nfs/dbraw/zinc/03/26/60/662032660.db2.gz DSHVGZXMSHOGEP-UHFFFAOYSA-N 1 0 397.273 2.604 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCN(CCc2cnccn2)CC1 ZINC000866121628 662461072 /nfs/dbraw/zinc/46/10/72/662461072.db2.gz UOXBJEJXRAYKTQ-UHFFFAOYSA-N 1 0 392.257 2.512 20 5 GFBDRO CC(C)[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000870953730 662711406 /nfs/dbraw/zinc/71/14/06/662711406.db2.gz KXGVQTBWHNZSJF-UHFFFAOYSA-N 1 0 399.289 2.993 20 5 GFBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872022687 662754111 /nfs/dbraw/zinc/75/41/11/662754111.db2.gz YJPGSSKUYOUQIO-GFCCVEGCSA-N 1 0 387.527 2.781 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000881865249 663006860 /nfs/dbraw/zinc/00/68/60/663006860.db2.gz RYJDAXGSIMPTNE-UHFFFAOYSA-N 1 0 382.258 2.848 20 5 GFBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000882237155 663021934 /nfs/dbraw/zinc/02/19/34/663021934.db2.gz FSLXCGFRHYQMMF-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO CN(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883287734 663052421 /nfs/dbraw/zinc/05/24/21/663052421.db2.gz COMIRXQTLXXPDU-UHFFFAOYSA-N 1 0 385.262 2.593 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955245 663079578 /nfs/dbraw/zinc/07/95/78/663079578.db2.gz RNYNXVAMEXXDJH-NXEZZACHSA-N 1 0 394.280 2.807 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905429245 663871117 /nfs/dbraw/zinc/87/11/17/663871117.db2.gz YKLFRODAYYXZLA-CQSZACIVSA-N 1 0 387.274 2.893 20 5 GFBDRO Nc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000932272656 664817569 /nfs/dbraw/zinc/81/75/69/664817569.db2.gz JAEJOALCTIOQBJ-LBPRGKRZSA-N 1 0 397.273 2.640 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1 ZINC000932810412 664839555 /nfs/dbraw/zinc/83/95/55/664839555.db2.gz SOAQYQJQSXIMGE-INIZCTEOSA-N 1 0 395.257 2.537 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810902 720087452 /nfs/dbraw/zinc/08/74/52/720087452.db2.gz MFRVNEAYWPQANH-HRAATJIYSA-N 1 0 397.479 2.723 20 5 GFBDRO Cc1c(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971378 722124125 /nfs/dbraw/zinc/12/41/25/722124125.db2.gz BSDFNUYILYJDFA-AZUAARDMSA-N 1 0 397.479 2.729 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000093664250 551195976 /nfs/dbraw/zinc/19/59/76/551195976.db2.gz CIHOMCUGHTYKEK-CQSZACIVSA-N 1 0 384.274 2.511 20 5 GFBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000127994893 551345553 /nfs/dbraw/zinc/34/55/53/551345553.db2.gz BGEJNHVQFXKARV-CQSZACIVSA-N 1 0 387.267 2.820 20 5 GFBDRO CC[NH+]1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000150925327 551403932 /nfs/dbraw/zinc/40/39/32/551403932.db2.gz IREBZCDWGRFFEU-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)c1 ZINC000151279990 551410914 /nfs/dbraw/zinc/41/09/14/551410914.db2.gz JIZLHTDSMMPXTA-UHFFFAOYSA-N 1 0 379.214 2.619 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000152886094 551441477 /nfs/dbraw/zinc/44/14/77/551441477.db2.gz FXMQHFLEQKZEMG-HNNXBMFYSA-N 1 0 396.285 2.987 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000173514532 552087358 /nfs/dbraw/zinc/08/73/58/552087358.db2.gz LXIKPJGJBVGBSM-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO C[C@H]1CCC[N@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569566 552196482 /nfs/dbraw/zinc/19/64/82/552196482.db2.gz QBZLJLVFGHSOKV-LBPRGKRZSA-N 1 0 375.516 2.984 20 5 GFBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000180054423 552211110 /nfs/dbraw/zinc/21/11/10/552211110.db2.gz GQNCJYQWOJUVFK-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236607358 553069780 /nfs/dbraw/zinc/06/97/80/553069780.db2.gz RBAPCTKCIXKRRB-UHFFFAOYSA-N 1 0 393.241 2.662 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])n1 ZINC000237649025 553079887 /nfs/dbraw/zinc/07/98/87/553079887.db2.gz GMAIIUBHWGUCPU-UHFFFAOYSA-N 1 0 378.479 2.993 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261611928 553154123 /nfs/dbraw/zinc/15/41/23/553154123.db2.gz DTQADZIRDQPPIX-OAHLLOKOSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000371891608 563290175 /nfs/dbraw/zinc/29/01/75/563290175.db2.gz JYDCRUOTFPDURW-CZUORRHYSA-N 1 0 395.257 2.752 20 5 GFBDRO O=C(NCc1cnc2n1CCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000375391202 563402415 /nfs/dbraw/zinc/40/24/15/563402415.db2.gz MIMHXOMDTWXANM-UHFFFAOYSA-N 1 0 385.243 2.882 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000301688205 563410326 /nfs/dbraw/zinc/41/03/26/563410326.db2.gz VLOWALYWAVZLRZ-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000425410446 563420762 /nfs/dbraw/zinc/42/07/62/563420762.db2.gz XGGKZSDSGQYZIF-INIZCTEOSA-N 1 0 397.317 2.569 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@H]2C1 ZINC000376664255 563449959 /nfs/dbraw/zinc/44/99/59/563449959.db2.gz OSURHJAIKIVQTH-ZANVPECISA-N 1 0 386.221 2.663 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000322635650 563450072 /nfs/dbraw/zinc/45/00/72/563450072.db2.gz WUGCOEQMMKNFSW-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO O=[N+]([O-])c1nn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000284340054 563471796 /nfs/dbraw/zinc/47/17/96/563471796.db2.gz VGLWREQPYGRJBT-AWEZNQCLSA-N 1 0 395.257 2.845 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000393050865 563528025 /nfs/dbraw/zinc/52/80/25/563528025.db2.gz PPKLWVUZLJEALG-LSDHHAIUSA-N 1 0 387.889 2.852 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332046515 563572497 /nfs/dbraw/zinc/57/24/97/563572497.db2.gz MKBGQIYKAQGVAC-GJZGRUSLSA-N 1 0 382.258 2.643 20 5 GFBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000412018403 563644582 /nfs/dbraw/zinc/64/45/82/563644582.db2.gz BKLHBNOZJVPHNL-SNVBAGLBSA-N 1 0 386.246 2.843 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000290115184 563698823 /nfs/dbraw/zinc/69/88/23/563698823.db2.gz YCMDAWVBWGODNL-JTQLQIEISA-N 1 0 376.194 2.668 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077889 563735626 /nfs/dbraw/zinc/73/56/26/563735626.db2.gz KTXFBOJUNPAUMT-NEPJUHHUSA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)c(Br)c1 ZINC000415030223 563756816 /nfs/dbraw/zinc/75/68/16/563756816.db2.gz DQBZSASRHXDIOG-VIKVFOODSA-N 1 0 378.226 2.925 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)C1 ZINC000292077698 563772490 /nfs/dbraw/zinc/77/24/90/563772490.db2.gz QRLMXTVUUQVVPD-AWEZNQCLSA-N 1 0 394.280 2.618 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000564792170 564248816 /nfs/dbraw/zinc/24/88/16/564248816.db2.gz AMECSHLDRUZGJT-UHFFFAOYSA-N 1 0 386.832 2.993 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148553 564360450 /nfs/dbraw/zinc/36/04/50/564360450.db2.gz ZBJQFHMNLGAYCO-BETUJISGSA-N 1 0 389.905 2.895 20 5 GFBDRO CCC[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000512257424 564396138 /nfs/dbraw/zinc/39/61/38/564396138.db2.gz FNBKMIFJLJCMIA-HNNXBMFYSA-N 1 0 386.246 2.845 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc(Br)c2)c1 ZINC000569232451 564454934 /nfs/dbraw/zinc/45/49/34/564454934.db2.gz ZICRRQDZBAHUNW-MRXNPFEDSA-N 1 0 395.253 2.929 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[N@@H+](CCO)C2CCC2)c1 ZINC000570975452 564530641 /nfs/dbraw/zinc/53/06/41/564530641.db2.gz MKEDDFOPSZLUOD-UHFFFAOYSA-N 1 0 376.194 2.546 20 5 GFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804068 564610968 /nfs/dbraw/zinc/61/09/68/564610968.db2.gz PDQLUPHDMLCNEJ-LBPRGKRZSA-N 1 0 378.210 2.696 20 5 GFBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000572991175 564618360 /nfs/dbraw/zinc/61/83/60/564618360.db2.gz XNPZBHHGCZWIDN-LBPRGKRZSA-N 1 0 380.242 2.740 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576029160 564704762 /nfs/dbraw/zinc/70/47/62/564704762.db2.gz BGNPSVPKKCZPJN-NWDGAFQWSA-N 1 0 382.258 2.974 20 5 GFBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636565 564800813 /nfs/dbraw/zinc/80/08/13/564800813.db2.gz WEKWSWLVWYBILI-HZMBPMFUSA-N 1 0 390.221 2.840 20 5 GFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCn2cc(Br)cn2)n1 ZINC000556922956 564847207 /nfs/dbraw/zinc/84/72/07/564847207.db2.gz ZFDBBMIHOWOERO-OLZOCXBDSA-N 1 0 383.250 2.524 20 5 GFBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635274 564855710 /nfs/dbraw/zinc/85/57/10/564855710.db2.gz UCZSQMJREGJEET-RNCFNFMXSA-N 1 0 378.210 2.696 20 5 GFBDRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000495581123 564855867 /nfs/dbraw/zinc/85/58/67/564855867.db2.gz UWWXWHAOJQIENU-RIEGTJTDSA-N 1 0 387.889 2.520 20 5 GFBDRO C[C@H](CCc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000462792327 564858965 /nfs/dbraw/zinc/85/89/65/564858965.db2.gz UTVVDEOMMAHSAX-CYBMUJFWSA-N 1 0 383.495 2.546 20 5 GFBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053489 564867801 /nfs/dbraw/zinc/86/78/01/564867801.db2.gz JHTXRSUKBVREDZ-JOYOIKCWSA-N 1 0 381.230 2.996 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502526070 565001342 /nfs/dbraw/zinc/00/13/42/565001342.db2.gz DQHRFWGMCPCXSC-ZIAGYGMSSA-N 1 0 378.397 2.509 20 5 GFBDRO CC(C)[C@@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562071498 565017293 /nfs/dbraw/zinc/01/72/93/565017293.db2.gz BRIJTPWLLHZHHP-ZDUSSCGKSA-N 1 0 378.210 2.696 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccccc1Br ZINC000584525250 565085185 /nfs/dbraw/zinc/08/51/85/565085185.db2.gz ZFNMQJOHRFTZLV-AWEZNQCLSA-N 1 0 395.253 2.929 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390377 565273495 /nfs/dbraw/zinc/27/34/95/565273495.db2.gz HPOXESKWMZWKOO-CHWSQXEVSA-N 1 0 387.889 2.649 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789713 565421815 /nfs/dbraw/zinc/42/18/15/565421815.db2.gz KHFWXRLZABABMI-LLVKDONJSA-N 1 0 375.878 2.647 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000598981659 565652600 /nfs/dbraw/zinc/65/26/00/565652600.db2.gz ZUKFPHSKNWTVIF-UHFFFAOYSA-N 1 0 391.225 2.715 20 5 GFBDRO COCCN1CCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535611 565853949 /nfs/dbraw/zinc/85/39/49/565853949.db2.gz QRLTYNHCRJXYBF-JTQLQIEISA-N 1 0 378.292 2.619 20 5 GFBDRO Cc1c(Br)c(N2CCC([N@H+]3CCOC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603401208 565902211 /nfs/dbraw/zinc/90/22/11/565902211.db2.gz JIGQGUILVXBGCU-LLVKDONJSA-N 1 0 399.289 2.750 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603658872 565913164 /nfs/dbraw/zinc/91/31/64/565913164.db2.gz KCFSDJZTGXMIEI-NEPJUHHUSA-N 1 0 389.905 2.955 20 5 GFBDRO CCC[NH+]1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000603837625 565916654 /nfs/dbraw/zinc/91/66/54/565916654.db2.gz WWSBVRYFBKNULD-UHFFFAOYSA-N 1 0 375.210 2.731 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000609894290 566057191 /nfs/dbraw/zinc/05/71/91/566057191.db2.gz HUHMFWGIWWOGPE-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO CC[NH+](CC)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccsc1 ZINC000821180333 606698343 /nfs/dbraw/zinc/69/83/43/606698343.db2.gz BOEKRLPOZSLIOZ-ZDUSSCGKSA-N 1 0 388.457 2.726 20 5 GFBDRO Cc1ccccc1C[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822356243 606700098 /nfs/dbraw/zinc/70/00/98/606700098.db2.gz OUEQXWHCUQEVTP-UHFFFAOYSA-N 1 0 394.439 2.555 20 5 GFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000818338073 660223974 /nfs/dbraw/zinc/22/39/74/660223974.db2.gz ZIAJDUJHPSICSR-UHFFFAOYSA-N 1 0 385.262 2.748 20 5 GFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267959826 654954213 /nfs/dbraw/zinc/95/42/13/654954213.db2.gz ZOWAIZBUEIJPQZ-UHFFFAOYSA-N 1 0 376.226 2.957 20 5 GFBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268003279 654955600 /nfs/dbraw/zinc/95/56/00/654955600.db2.gz DPCHPNPRXGYJQG-JTQLQIEISA-N 1 0 381.376 2.559 20 5 GFBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132834 655017544 /nfs/dbraw/zinc/01/75/44/655017544.db2.gz FHNZSTMZKVMSSS-OAHLLOKOSA-N 1 0 397.317 2.569 20 5 GFBDRO C[N@H+](CCCO)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000093394836 655019343 /nfs/dbraw/zinc/01/93/43/655019343.db2.gz FKMXDABWUHGDDN-UHFFFAOYSA-N 1 0 386.290 2.636 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000101576287 655044905 /nfs/dbraw/zinc/04/49/05/655044905.db2.gz LYYBXFWELOIWCJ-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000273539160 655147096 /nfs/dbraw/zinc/14/70/96/655147096.db2.gz STTJTUSPNNDDCE-LLVKDONJSA-N 1 0 375.878 2.599 20 5 GFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746053056 655757925 /nfs/dbraw/zinc/75/79/25/655757925.db2.gz GRKBXDKMVVCTCV-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000751564860 655830967 /nfs/dbraw/zinc/83/09/67/655830967.db2.gz LXXDIVCNJZFAGF-JKSUJKDBSA-N 1 0 381.226 2.714 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000752234888 655841124 /nfs/dbraw/zinc/84/11/24/655841124.db2.gz NJYSDFKKEMHVFV-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cs1 ZINC000768799647 656251748 /nfs/dbraw/zinc/25/17/48/656251748.db2.gz VVEAWWWRIZTMMB-UHFFFAOYSA-N 1 0 381.479 2.731 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077253 657100791 /nfs/dbraw/zinc/10/07/91/657100791.db2.gz DBMPNCDDOZCFDR-JKSUJKDBSA-N 1 0 381.226 2.714 20 5 GFBDRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000788915412 657796951 /nfs/dbraw/zinc/79/69/51/657796951.db2.gz KSJUPDIHMROKGI-BLLLJJGKSA-N 1 0 383.495 2.934 20 5 GFBDRO CN(CCC[N@H+](C)Cc1ccco1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795752475 658846798 /nfs/dbraw/zinc/84/67/98/658846798.db2.gz OCMSJZAGXMPMRC-UHFFFAOYSA-N 1 0 386.250 2.558 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284554 658910137 /nfs/dbraw/zinc/91/01/37/658910137.db2.gz LXCZSWMRTXOMTB-SJORKVTESA-N 1 0 395.253 2.888 20 5 GFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000798176787 659079471 /nfs/dbraw/zinc/07/94/71/659079471.db2.gz UJOHBLVVFKQROC-UHFFFAOYSA-N 1 0 399.289 2.946 20 5 GFBDRO Cc1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1Br ZINC000804429555 659645884 /nfs/dbraw/zinc/64/58/84/659645884.db2.gz LWPFRKNPUCGTDM-JSGCOSHPSA-N 1 0 384.274 2.701 20 5 GFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000810121386 659963120 /nfs/dbraw/zinc/96/31/20/659963120.db2.gz WYFVXMOCTGHRPF-LBPRGKRZSA-N 1 0 377.894 2.955 20 5 GFBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810136753 659964079 /nfs/dbraw/zinc/96/40/79/659964079.db2.gz ITQQSLPTHYQYCF-SNVBAGLBSA-N 1 0 398.204 2.710 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000815070516 660109412 /nfs/dbraw/zinc/10/94/12/660109412.db2.gz SVCCVUOOBBRUSY-UHFFFAOYSA-N 1 0 375.878 2.793 20 5 GFBDRO C[C@@H](CCCC[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841994761 661319182 /nfs/dbraw/zinc/31/91/82/661319182.db2.gz KAVNBLSHOSTHDP-NSHDSACASA-N 1 0 399.289 2.943 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000842701796 661349881 /nfs/dbraw/zinc/34/98/81/661349881.db2.gz ZBLGJOPVJTYFNQ-UHFFFAOYSA-N 1 0 383.857 2.536 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866363589 662469063 /nfs/dbraw/zinc/46/90/63/662469063.db2.gz MRVLLSXHRFRESO-OLZOCXBDSA-N 1 0 384.274 2.889 20 5 GFBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000867349156 662544075 /nfs/dbraw/zinc/54/40/75/662544075.db2.gz OJCYUBJGBZDUOD-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO CCC1([NH+]2CCCC2)CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000872646580 662782550 /nfs/dbraw/zinc/78/25/50/662782550.db2.gz BZJGNRSFROCDPR-UHFFFAOYSA-N 1 0 386.294 2.852 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000878691575 662902521 /nfs/dbraw/zinc/90/25/21/662902521.db2.gz PEUVXMRNFSVFLN-AWEZNQCLSA-N 1 0 383.246 2.528 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000882128885 663017581 /nfs/dbraw/zinc/01/75/81/663017581.db2.gz ZLKHUNLNXGEWET-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000889718264 663259515 /nfs/dbraw/zinc/25/95/15/663259515.db2.gz JCLRBKMEBDUYQE-MRXNPFEDSA-N 1 0 397.273 2.595 20 5 GFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894366005 663458032 /nfs/dbraw/zinc/45/80/32/663458032.db2.gz JFQYHMGFCMSTOJ-UHFFFAOYSA-N 1 0 382.873 2.874 20 5 GFBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897585742 663612480 /nfs/dbraw/zinc/61/24/80/663612480.db2.gz VKQCMMGPHDHLDH-HNNXBMFYSA-N 1 0 394.230 2.569 20 5 GFBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897724855 663617387 /nfs/dbraw/zinc/61/73/87/663617387.db2.gz KYKNIJGXNYARRH-SECBINFHSA-N 1 0 394.230 2.617 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000900595519 663717569 /nfs/dbraw/zinc/71/75/69/663717569.db2.gz HDDIZHHHVRSCQJ-LLVKDONJSA-N 1 0 380.246 2.539 20 5 GFBDRO C[N@@H+]1CC[C@H](Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000904020562 663817715 /nfs/dbraw/zinc/81/77/15/663817715.db2.gz SBOMKIZXHIZGHR-SNVBAGLBSA-N 1 0 381.230 2.825 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905428415 663871105 /nfs/dbraw/zinc/87/11/05/663871105.db2.gz RDJVPATYEXPZDF-CQSZACIVSA-N 1 0 387.274 2.751 20 5 GFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932810847 664839429 /nfs/dbraw/zinc/83/94/29/664839429.db2.gz WWPAOECGXIZKAY-MRXNPFEDSA-N 1 0 395.257 2.537 20 5 GFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495591 664908835 /nfs/dbraw/zinc/90/88/35/664908835.db2.gz FBXRCXVOIWRQLW-IAGOWNOFSA-N 1 0 395.253 2.888 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c2c1CC[NH2+]C2 ZINC001164681284 719618729 /nfs/dbraw/zinc/61/87/29/719618729.db2.gz FXGQOZRAXQVAKM-UHFFFAOYSA-N 1 0 380.452 2.815 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808493 720085146 /nfs/dbraw/zinc/08/51/46/720085146.db2.gz HRMDUKUEFNNPDM-RDTXWAMCSA-N 1 0 380.876 2.828 20 5 GFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164722151 720344381 /nfs/dbraw/zinc/34/43/81/720344381.db2.gz FGXNCFKWYLONHQ-MOPGFXCFSA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721781 720373567 /nfs/dbraw/zinc/37/35/67/720373567.db2.gz BAPLPAKWXOVEEU-MOPGFXCFSA-N 1 0 376.420 2.786 20 5 GFBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837893 720509115 /nfs/dbraw/zinc/50/91/15/720509115.db2.gz QLVLKENBPBKETP-ZIFCJYIRSA-N 1 0 384.484 2.873 20 5 GFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867116 721049344 /nfs/dbraw/zinc/04/93/44/721049344.db2.gz HYQGGYWQVFCBDN-GJZGRUSLSA-N 1 0 389.843 2.518 20 5 GFBDRO Cc1c(Br)c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000542505505 532773763 /nfs/dbraw/zinc/77/37/63/532773763.db2.gz DNJAUQOZOKOHJH-QWRGUYRKSA-N 1 0 387.278 2.972 20 5 GFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](CO)C(C)(C)C ZINC000134410352 551385127 /nfs/dbraw/zinc/38/51/27/551385127.db2.gz SYNVVFZDMHUIGS-CYBMUJFWSA-N 1 0 388.262 2.635 20 5 GFBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000151724914 551419859 /nfs/dbraw/zinc/41/98/59/551419859.db2.gz QXCLRRKTKGYDQE-UHFFFAOYSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154786800 551482985 /nfs/dbraw/zinc/48/29/85/551482985.db2.gz FAZOZTYVNJQZPU-SMDDNHRTSA-N 1 0 382.258 2.595 20 5 GFBDRO C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000160590759 551583015 /nfs/dbraw/zinc/58/30/15/551583015.db2.gz IJZFRMULUWZESP-VIFPVBQESA-N 1 0 384.223 2.521 20 5 GFBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000162100420 551603856 /nfs/dbraw/zinc/60/38/56/551603856.db2.gz UNQHFCPODGCWIT-LBPRGKRZSA-N 1 0 383.495 2.902 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000173089073 551695596 /nfs/dbraw/zinc/69/55/96/551695596.db2.gz OYEKAGBGNHZEOH-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173669194 552090952 /nfs/dbraw/zinc/09/09/52/552090952.db2.gz JZCYKBHHIZQLNO-LBPRGKRZSA-N 1 0 375.878 2.743 20 5 GFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180570518 552229928 /nfs/dbraw/zinc/22/99/28/552229928.db2.gz CGDLLBCYJFBTIX-LBPRGKRZSA-N 1 0 382.258 2.915 20 5 GFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000188073661 552433926 /nfs/dbraw/zinc/43/39/26/552433926.db2.gz SCTXIYCTKUTNAI-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000190443570 552496383 /nfs/dbraw/zinc/49/63/83/552496383.db2.gz LHGNNMSZERZXBI-LLVKDONJSA-N 1 0 396.241 2.878 20 5 GFBDRO [NH3+]C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000238068865 553085515 /nfs/dbraw/zinc/08/55/15/553085515.db2.gz YIPMIWXZKSXFDE-OAHLLOKOSA-N 1 0 384.274 2.924 20 5 GFBDRO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000372745060 563315941 /nfs/dbraw/zinc/31/59/41/563315941.db2.gz VEOPFOJABJFDIP-HNNXBMFYSA-N 1 0 381.479 2.576 20 5 GFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000280266248 563329665 /nfs/dbraw/zinc/32/96/65/563329665.db2.gz CNENYHITOXCQKQ-WCQYABFASA-N 1 0 396.241 2.843 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000373180469 563330871 /nfs/dbraw/zinc/33/08/71/563330871.db2.gz USGDAPCDLOTMPR-HZMBPMFUSA-N 1 0 383.246 2.915 20 5 GFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374315732 563367943 /nfs/dbraw/zinc/36/79/43/563367943.db2.gz ZJEVFWHUBRQCJW-BBRMVZONSA-N 1 0 397.317 2.820 20 5 GFBDRO C[NH+]1CCC(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301141276 563393628 /nfs/dbraw/zinc/39/36/28/563393628.db2.gz IDNJHPLXMLHZDQ-UHFFFAOYSA-N 1 0 381.376 2.642 20 5 GFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301360537 563401448 /nfs/dbraw/zinc/40/14/48/563401448.db2.gz PZOVNYLJZAIQNQ-HNNXBMFYSA-N 1 0 397.317 2.964 20 5 GFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000375900969 563422484 /nfs/dbraw/zinc/42/24/84/563422484.db2.gz KLFRZZRZWGYGQY-DOMZBBRYSA-N 1 0 396.285 2.985 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378234330 563499813 /nfs/dbraw/zinc/49/98/13/563499813.db2.gz VHTZGEXKZHXBBU-GXTWGEPZSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285538968 563525647 /nfs/dbraw/zinc/52/56/47/563525647.db2.gz HUPVPQXJWQMBGL-XHDPSFHLSA-N 1 0 382.258 2.832 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332601870 563606609 /nfs/dbraw/zinc/60/66/09/563606609.db2.gz DBCKHSLDAFCTPC-ZYHUDNBSSA-N 1 0 383.246 2.881 20 5 GFBDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842525 563712614 /nfs/dbraw/zinc/71/26/14/563712614.db2.gz SAHLEEKTFVVYLG-INIZCTEOSA-N 1 0 397.273 2.825 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290589804 563714753 /nfs/dbraw/zinc/71/47/53/563714753.db2.gz OKRSEQHYTPWYMI-LBPRGKRZSA-N 1 0 382.258 2.819 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366643316 563816645 /nfs/dbraw/zinc/81/66/45/563816645.db2.gz YHGRCHPQWTWFFA-ZDUSSCGKSA-N 1 0 382.258 2.976 20 5 GFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446263526 563861736 /nfs/dbraw/zinc/86/17/36/563861736.db2.gz XQJHULIOVLVNNY-CQSZACIVSA-N 1 0 384.274 2.843 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000368110542 563863870 /nfs/dbraw/zinc/86/38/70/563863870.db2.gz UGCVDHXQBRNKIE-ZDUSSCGKSA-N 1 0 387.889 2.567 20 5 GFBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449443075 564186594 /nfs/dbraw/zinc/18/65/94/564186594.db2.gz PBZPTKYAMOIECG-CYBMUJFWSA-N 1 0 383.495 2.741 20 5 GFBDRO CCc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000539074941 564208427 /nfs/dbraw/zinc/20/84/27/564208427.db2.gz KZDXRVVSSXFVLP-GFCCVEGCSA-N 1 0 383.495 2.848 20 5 GFBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476611276 564348061 /nfs/dbraw/zinc/34/80/61/564348061.db2.gz YZRRQSIMTBXVOW-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO C[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000567284230 564364644 /nfs/dbraw/zinc/36/46/44/564364644.db2.gz IMEJBOFAHLMPAC-SNVBAGLBSA-N 1 0 389.237 2.772 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452113907 564393917 /nfs/dbraw/zinc/39/39/17/564393917.db2.gz IXSNJLYGUAQKTG-CYBMUJFWSA-N 1 0 399.289 2.710 20 5 GFBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ncc([N+](=O)[O-])cn1 ZINC000544847251 564401273 /nfs/dbraw/zinc/40/12/73/564401273.db2.gz KKOYINWHCGXXBG-UHFFFAOYSA-N 1 0 380.246 2.716 20 5 GFBDRO CC(C)[C@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520665697 564610369 /nfs/dbraw/zinc/61/03/69/564610369.db2.gz ZYDXJYCAGQSIHE-ZDUSSCGKSA-N 1 0 378.210 2.696 20 5 GFBDRO Cc1cc(Cl)cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000574696168 564685508 /nfs/dbraw/zinc/68/55/08/564685508.db2.gz PMEKLRVDSWPUED-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000525387738 564699867 /nfs/dbraw/zinc/69/98/67/564699867.db2.gz JCBXXSRADCUVJA-NWDGAFQWSA-N 1 0 375.878 2.742 20 5 GFBDRO CCC(O)(CC)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582091833 564830100 /nfs/dbraw/zinc/83/01/00/564830100.db2.gz NJQOBZJBQHPHRH-UHFFFAOYSA-N 1 0 378.210 2.840 20 5 GFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000558020776 564888774 /nfs/dbraw/zinc/88/87/74/564888774.db2.gz GHZUCKMCHGLSND-VIFPVBQESA-N 1 0 386.239 2.767 20 5 GFBDRO COc1ccc([C@@H](C[NH3+])Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)cc1 ZINC000584229963 564925861 /nfs/dbraw/zinc/92/58/61/564925861.db2.gz BCXYOJURLRUQRD-LBPRGKRZSA-N 1 0 396.241 2.579 20 5 GFBDRO Cc1sc(S(=O)(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000466970423 564952007 /nfs/dbraw/zinc/95/20/07/564952007.db2.gz CLRPEXSBICNMIS-UHFFFAOYSA-N 1 0 375.516 2.898 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2ncccc2O)c1 ZINC000562078683 565017833 /nfs/dbraw/zinc/01/78/33/565017833.db2.gz SAIJLBAKXQOMCD-UHFFFAOYSA-N 1 0 385.161 2.590 20 5 GFBDRO C[NH+](C)CCn1cc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000585808109 565111993 /nfs/dbraw/zinc/11/19/93/565111993.db2.gz BBMLRCCFDWHGOZ-UHFFFAOYSA-N 1 0 397.233 2.759 20 5 GFBDRO Cc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616059672 565187561 /nfs/dbraw/zinc/18/75/61/565187561.db2.gz PTVXUPQYQVXPFT-CQSZACIVSA-N 1 0 397.317 2.882 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592390566 565274302 /nfs/dbraw/zinc/27/43/02/565274302.db2.gz KBSZWBGPJOXBBF-CHWSQXEVSA-N 1 0 387.889 2.649 20 5 GFBDRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000595119306 565450359 /nfs/dbraw/zinc/45/03/59/565450359.db2.gz DMKNDXCWWQDRGV-SCZZXKLOSA-N 1 0 382.269 2.650 20 5 GFBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000595411309 565475013 /nfs/dbraw/zinc/47/50/13/565475013.db2.gz GNYOJJFUIVRLRT-NSHDSACASA-N 1 0 382.269 2.520 20 5 GFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596119965 565514306 /nfs/dbraw/zinc/51/43/06/565514306.db2.gz DVKDPABLBGPUPR-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000602491704 565850849 /nfs/dbraw/zinc/85/08/49/565850849.db2.gz RIDWVLYQXSNLKO-GFCCVEGCSA-N 1 0 382.258 2.819 20 5 GFBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602554590 565855355 /nfs/dbraw/zinc/85/53/55/565855355.db2.gz BRGLBUIFYIOLDF-WPRPVWTQSA-N 1 0 397.316 2.864 20 5 GFBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](C)N1CCOCC1 ZINC000602564053 565855557 /nfs/dbraw/zinc/85/55/57/565855557.db2.gz KQTXIYFXGHZXCY-ZJUUUORDSA-N 1 0 378.292 2.618 20 5 GFBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602638215 565859994 /nfs/dbraw/zinc/85/99/94/565859994.db2.gz NULIKURPCKBLIS-SNVBAGLBSA-N 1 0 376.276 2.767 20 5 GFBDRO CC1CC[NH+](CCCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736275117 599258306 /nfs/dbraw/zinc/25/83/06/599258306.db2.gz GWWUXWTWXXVFII-UHFFFAOYSA-N 1 0 396.455 2.857 20 5 GFBDRO Cc1ccc([C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000737320985 598246990 /nfs/dbraw/zinc/24/69/90/598246990.db2.gz XYHGLWWZHJNONS-MRXNPFEDSA-N 1 0 383.412 2.925 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826498479 607734387 /nfs/dbraw/zinc/73/43/87/607734387.db2.gz WQMDUFFPDVVGML-UHFFFAOYSA-N 1 0 385.472 2.867 20 5 GFBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665794 606199210 /nfs/dbraw/zinc/19/92/10/606199210.db2.gz GTDHLXBJDKUVIQ-ZFWWWQNUSA-N 1 0 394.439 2.635 20 5 GFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cccc1[N+](=O)[O-] ZINC000826241831 608467156 /nfs/dbraw/zinc/46/71/56/608467156.db2.gz QKTCLRGJNJQVGW-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826176588 608564379 /nfs/dbraw/zinc/56/43/79/608564379.db2.gz VRGCXMVRJGXOLH-GFCCVEGCSA-N 1 0 384.396 2.513 20 5 GFBDRO CN1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000267229413 654919248 /nfs/dbraw/zinc/91/92/48/654919248.db2.gz KUQVNEBLEQWZTN-UHFFFAOYSA-N 1 0 398.305 2.723 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132971880 654950452 /nfs/dbraw/zinc/95/04/52/654950452.db2.gz WAYUIGXCBNNKJG-HIFRSBDPSA-N 1 0 399.289 2.932 20 5 GFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269269158 655003582 /nfs/dbraw/zinc/00/35/82/655003582.db2.gz LPZWHKQSIIJZNQ-AWEZNQCLSA-N 1 0 376.226 2.990 20 5 GFBDRO NC(=O)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000135171746 655011205 /nfs/dbraw/zinc/01/12/05/655011205.db2.gz UQJHNQOKGOQLSY-HNNXBMFYSA-N 1 0 378.226 2.716 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000272571734 655116437 /nfs/dbraw/zinc/11/64/37/655116437.db2.gz FTNBBBMRBDPUHU-TVQRCGJNSA-N 1 0 386.221 2.663 20 5 GFBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000273468740 655144486 /nfs/dbraw/zinc/14/44/86/655144486.db2.gz RNWCJBUCPYTJPC-AWEZNQCLSA-N 1 0 381.479 2.801 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000839500773 661087979 /nfs/dbraw/zinc/08/79/79/661087979.db2.gz MGHMVFCLZPHUNM-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000119314461 655298223 /nfs/dbraw/zinc/29/82/23/655298223.db2.gz SJQUBMOIBVCMQB-UHFFFAOYSA-N 1 0 381.479 2.599 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cs1 ZINC000119446796 655303909 /nfs/dbraw/zinc/30/39/09/655303909.db2.gz HFQJVGLURSLFKV-OAHLLOKOSA-N 1 0 381.479 2.772 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000262135794 655444057 /nfs/dbraw/zinc/44/40/57/655444057.db2.gz DLQXBBHNVOYNTN-LBPRGKRZSA-N 1 0 381.841 2.635 20 5 GFBDRO Cc1cc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C)s1 ZINC000578370082 655477380 /nfs/dbraw/zinc/47/73/80/655477380.db2.gz PHDIAMGTCUCKPA-UHFFFAOYSA-N 1 0 383.495 2.642 20 5 GFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000755008444 655878361 /nfs/dbraw/zinc/87/83/61/655878361.db2.gz MTJLFZDZAJGWLK-LLVKDONJSA-N 1 0 386.221 2.805 20 5 GFBDRO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764189913 656104055 /nfs/dbraw/zinc/10/40/55/656104055.db2.gz ZQXXVNVQFJKYLF-ZFWWWQNUSA-N 1 0 397.317 2.820 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000841160240 661239984 /nfs/dbraw/zinc/23/99/84/661239984.db2.gz AJJPMFMKAVUAPF-XHVZSJERSA-N 1 0 383.246 2.948 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000779876852 656952541 /nfs/dbraw/zinc/95/25/41/656952541.db2.gz BFBGOGBFSGEIGZ-CYBMUJFWSA-N 1 0 389.905 2.957 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000779918470 656963865 /nfs/dbraw/zinc/96/38/65/656963865.db2.gz ULDZOEUWDXZZSR-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000789766153 657888651 /nfs/dbraw/zinc/88/86/51/657888651.db2.gz WCBJXVUZLNZAFD-UHFFFAOYSA-N 1 0 386.290 2.900 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795858362 658861148 /nfs/dbraw/zinc/86/11/48/658861148.db2.gz WLVGWCZIFQRKKG-WDEREUQCSA-N 1 0 393.868 2.881 20 5 GFBDRO CC1CC[NH+](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000803545440 659587368 /nfs/dbraw/zinc/58/73/68/659587368.db2.gz BQWJNGRDPPDHNB-UHFFFAOYSA-N 1 0 396.285 2.974 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809443 659940667 /nfs/dbraw/zinc/94/06/67/659940667.db2.gz XZCAIRDUTPZTLI-NWDGAFQWSA-N 1 0 394.280 2.807 20 5 GFBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813440756 660054232 /nfs/dbraw/zinc/05/42/32/660054232.db2.gz PMRZXHWLPFDHER-LLVKDONJSA-N 1 0 376.240 2.742 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000814988706 660100343 /nfs/dbraw/zinc/10/03/43/660100343.db2.gz SPXVPPDUXHGTID-MNOVXSKESA-N 1 0 393.868 2.786 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815018717 660101986 /nfs/dbraw/zinc/10/19/86/660101986.db2.gz YZMMGZGHDNXFRE-MFKMUULPSA-N 1 0 393.868 2.738 20 5 GFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045316 660106692 /nfs/dbraw/zinc/10/66/92/660106692.db2.gz QAVVBBGYOKIASK-MNOVXSKESA-N 1 0 391.852 2.635 20 5 GFBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546268 661295407 /nfs/dbraw/zinc/29/54/07/661295407.db2.gz KAOFEOWLODELLK-SNVBAGLBSA-N 1 0 396.296 2.912 20 5 GFBDRO [NH3+]C1CCC(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000841944861 661318284 /nfs/dbraw/zinc/31/82/84/661318284.db2.gz LUEGLPBYULQJKB-UHFFFAOYSA-N 1 0 397.273 2.695 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000842483738 661341605 /nfs/dbraw/zinc/34/16/05/661341605.db2.gz OWNKCJAVHDUDAR-ZIAGYGMSSA-N 1 0 387.889 2.852 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843474970 661382780 /nfs/dbraw/zinc/38/27/80/661382780.db2.gz YOSKCWJKIYPVIX-OAHLLOKOSA-N 1 0 386.221 2.712 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846229990 661539244 /nfs/dbraw/zinc/53/92/44/661539244.db2.gz CJFWUIBVPTWTJG-MFKMUULPSA-N 1 0 375.878 2.695 20 5 GFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855899947 662011909 /nfs/dbraw/zinc/01/19/09/662011909.db2.gz YIGPTXUJZKWAPQ-NSHDSACASA-N 1 0 385.262 2.603 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863651972 662342500 /nfs/dbraw/zinc/34/25/00/662342500.db2.gz NMXJVJNEQVNURF-AWEZNQCLSA-N 1 0 398.301 2.948 20 5 GFBDRO CN1CC[NH+](C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866212224 662464580 /nfs/dbraw/zinc/46/45/80/662464580.db2.gz PUMCVAJRZRJXRI-UHFFFAOYSA-N 1 0 383.290 2.574 20 5 GFBDRO CCN(CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)S(C)(=O)=O ZINC000872024853 662754060 /nfs/dbraw/zinc/75/40/60/662754060.db2.gz WOVANTLLKNFNSD-GFCCVEGCSA-N 1 0 375.516 2.639 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3ccc(Br)cc3)C2)c1 ZINC000877126223 662871456 /nfs/dbraw/zinc/87/14/56/662871456.db2.gz GQQWTIATVZMDNH-SSDMNJCBSA-N 1 0 381.230 2.581 20 5 GFBDRO CN1CC[NH+](C2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)CC1 ZINC000877747410 662882739 /nfs/dbraw/zinc/88/27/39/662882739.db2.gz KLGILOWANBYRCY-UHFFFAOYSA-N 1 0 397.317 2.569 20 5 GFBDRO CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000889718532 663259745 /nfs/dbraw/zinc/25/97/45/663259745.db2.gz FKLSYULVVVQVGO-ZDUSSCGKSA-N 1 0 385.262 2.593 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889725201 663261173 /nfs/dbraw/zinc/26/11/73/663261173.db2.gz MNCTYRRJJHYBME-LBPRGKRZSA-N 1 0 399.289 2.841 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892188735 663365149 /nfs/dbraw/zinc/36/51/49/663365149.db2.gz SKDOECIIAAYKQE-MPKXVKKWSA-N 1 0 397.273 2.545 20 5 GFBDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000896618177 663568115 /nfs/dbraw/zinc/56/81/15/663568115.db2.gz NGELCKXCSVPQOZ-SNVBAGLBSA-N 1 0 378.292 2.619 20 5 GFBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880728 663623523 /nfs/dbraw/zinc/62/35/23/663623523.db2.gz MWGDFUKDCBQWEX-SECBINFHSA-N 1 0 394.230 2.617 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(Cc1cc([N+](=O)[O-])ccc1Br)CCO2 ZINC000930823159 664779045 /nfs/dbraw/zinc/77/90/45/664779045.db2.gz DNVXLBBBAIOPFM-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO Nc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000931190419 664788075 /nfs/dbraw/zinc/78/80/75/664788075.db2.gz SEWVVULNMXTFFS-LBPRGKRZSA-N 1 0 397.273 2.640 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251825 664789237 /nfs/dbraw/zinc/78/92/37/664789237.db2.gz BOWOSHBOUNXWSM-QMTHXVAHSA-N 1 0 383.246 2.834 20 5 GFBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000935189281 664945362 /nfs/dbraw/zinc/94/53/62/664945362.db2.gz IRLQSDATZRZCDJ-UHFFFAOYSA-N 1 0 397.273 2.640 20 5 GFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620464 719059512 /nfs/dbraw/zinc/05/95/12/719059512.db2.gz FFAYVAMSXYDUEN-VQIMIIECSA-N 1 0 396.447 2.877 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806791 720071892 /nfs/dbraw/zinc/07/18/92/720071892.db2.gz DGWSPQAFRGJOKD-KDOFPFPSSA-N 1 0 380.876 2.828 20 5 GFBDRO CCOc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ccc1[N+](=O)[O-] ZINC001164811137 720148262 /nfs/dbraw/zinc/14/82/62/720148262.db2.gz LRDDBGFEXCXZIZ-UZLBHIALSA-N 1 0 390.484 2.573 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818463 720192937 /nfs/dbraw/zinc/19/29/37/720192937.db2.gz SWAFUSXNRQZWBO-HRAATJIYSA-N 1 0 397.479 2.723 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867500 721047394 /nfs/dbraw/zinc/04/73/94/721047394.db2.gz JHZSVLWRNZPLNL-HOTGVXAUSA-N 1 0 389.843 2.518 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867503 721047644 /nfs/dbraw/zinc/04/76/44/721047644.db2.gz JHZSVLWRNZPLNL-JKSUJKDBSA-N 1 0 389.843 2.518 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164763230 721182865 /nfs/dbraw/zinc/18/28/65/721182865.db2.gz DUEDFZDBPZUBJK-QZTJIDSGSA-N 1 0 392.463 2.835 20 5 GFBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935154 721888297 /nfs/dbraw/zinc/88/82/97/721888297.db2.gz WRMPSFQGLZTFDX-ZWKOTPCHSA-N 1 0 381.480 2.871 20 5 GFBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165054757 722020641 /nfs/dbraw/zinc/02/06/41/722020641.db2.gz BAQPAZABCGCJQA-UHFFFAOYSA-N 1 0 398.854 2.951 20 5 GFBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124457861 551314809 /nfs/dbraw/zinc/31/48/09/551314809.db2.gz FWWSTSJNDMGLFB-ZDUSSCGKSA-N 1 0 383.392 2.655 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151642689 551418737 /nfs/dbraw/zinc/41/87/37/551418737.db2.gz GOFTUDOLVNGGHF-CYBMUJFWSA-N 1 0 387.889 2.663 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000157276232 551536019 /nfs/dbraw/zinc/53/60/19/551536019.db2.gz JQMLCXAPBCMVLY-IAQYHMDHSA-N 1 0 382.258 2.914 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173246067 552080764 /nfs/dbraw/zinc/08/07/64/552080764.db2.gz HPBPPBHJEXYSIB-IINYFYTJSA-N 1 0 375.878 2.517 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173954080 552095706 /nfs/dbraw/zinc/09/57/06/552095706.db2.gz VDGKAGASKLDCAK-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188260724 552440882 /nfs/dbraw/zinc/44/08/82/552440882.db2.gz YCEGLRXJOSSSGS-UHFFFAOYSA-N 1 0 375.878 2.745 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC000191230008 552521938 /nfs/dbraw/zinc/52/19/38/552521938.db2.gz CQRVYBOQEMNFEA-JTQLQIEISA-N 1 0 389.886 2.939 20 5 GFBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000237326898 553076431 /nfs/dbraw/zinc/07/64/31/553076431.db2.gz FLTGIIMEJYVBOW-BDAKNGLRSA-N 1 0 382.269 2.650 20 5 GFBDRO CN(CCC[NH+]1CCCC1)c1c(I)cncc1[N+](=O)[O-] ZINC000418953497 563231590 /nfs/dbraw/zinc/23/15/90/563231590.db2.gz VANIJDJHJSCJNI-UHFFFAOYSA-N 1 0 390.225 2.517 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370382289 563241630 /nfs/dbraw/zinc/24/16/30/563241630.db2.gz RNCGACWNYWYNJB-LRDDRELGSA-N 1 0 381.479 2.628 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000372569333 563311266 /nfs/dbraw/zinc/31/12/66/563311266.db2.gz JNOVAIOYOAUDDI-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000372936016 563322822 /nfs/dbraw/zinc/32/28/22/563322822.db2.gz VBTDNUSCEYHXEY-CYBMUJFWSA-N 1 0 384.274 2.843 20 5 GFBDRO C[N@@H+]1CCC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301207029 563396568 /nfs/dbraw/zinc/39/65/68/563396568.db2.gz PRMOQWFYMVDCCN-SNVBAGLBSA-N 1 0 381.376 2.642 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301930882 563415938 /nfs/dbraw/zinc/41/59/38/563415938.db2.gz LFKWGTKEHHHCSI-RYUDHWBXSA-N 1 0 375.516 2.840 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000375915680 563423701 /nfs/dbraw/zinc/42/37/01/563423701.db2.gz ZNDWOTIBXZXELU-OAHLLOKOSA-N 1 0 398.257 2.939 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCSC1 ZINC000431492379 563561561 /nfs/dbraw/zinc/56/15/61/563561561.db2.gz CSVSLCUSEQTJBL-CQSZACIVSA-N 1 0 388.287 2.524 20 5 GFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432661074 563590458 /nfs/dbraw/zinc/59/04/58/563590458.db2.gz UFGACZNGLFFHBN-UHFFFAOYSA-N 1 0 388.181 2.612 20 5 GFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])sc2C1 ZINC000288834674 563658698 /nfs/dbraw/zinc/65/86/98/563658698.db2.gz VGDVKGMUHMKSKX-QMMMGPOBSA-N 1 0 397.254 2.882 20 5 GFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289836275 563688808 /nfs/dbraw/zinc/68/88/08/563688808.db2.gz LNSCAUWOHKNAIW-ZWNOBZJWSA-N 1 0 391.852 2.635 20 5 GFBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[C@H](O)CC1 ZINC000439305782 563722277 /nfs/dbraw/zinc/72/22/77/563722277.db2.gz WCXAAKRHOGEADU-UMSPYCQHSA-N 1 0 386.246 2.531 20 5 GFBDRO COCC[C@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000414477667 563743583 /nfs/dbraw/zinc/74/35/83/563743583.db2.gz BUCQEUQRUUEXAA-JTQLQIEISA-N 1 0 378.210 2.962 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000364279853 563748239 /nfs/dbraw/zinc/74/82/39/563748239.db2.gz OQAMXAYPKCGIEB-UHFFFAOYSA-N 1 0 390.267 2.565 20 5 GFBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000366825724 563820963 /nfs/dbraw/zinc/82/09/63/563820963.db2.gz QXXKVNWDGLLMLX-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000445079400 563842934 /nfs/dbraw/zinc/84/29/34/563842934.db2.gz WFRZTSHVGTVSPC-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000449374238 564181731 /nfs/dbraw/zinc/18/17/31/564181731.db2.gz DUEPJVJQOOOIPZ-UHFFFAOYSA-N 1 0 396.241 2.708 20 5 GFBDRO C[C@](O)(C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000563617867 564199323 /nfs/dbraw/zinc/19/93/23/564199323.db2.gz VFLSOVWHRSRIRX-NSHDSACASA-N 1 0 375.269 2.928 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Br)cc1 ZINC000564854087 564252724 /nfs/dbraw/zinc/25/27/24/564252724.db2.gz LPWQGMZBRXQQKC-HNNXBMFYSA-N 1 0 395.253 2.929 20 5 GFBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476580392 564346608 /nfs/dbraw/zinc/34/66/08/564346608.db2.gz UFGKSSBRNPZYOD-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480361108 564469189 /nfs/dbraw/zinc/46/91/89/564469189.db2.gz KNODOPWUCLSVOP-UHFFFAOYSA-N 1 0 384.285 2.864 20 5 GFBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516606385 564506984 /nfs/dbraw/zinc/50/69/84/564506984.db2.gz KBXUEGKXHSVAHQ-CYBMUJFWSA-N 1 0 378.210 2.696 20 5 GFBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000520124735 564597741 /nfs/dbraw/zinc/59/77/41/564597741.db2.gz AWXSURUQODZHRL-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000525387734 564700065 /nfs/dbraw/zinc/70/00/65/564700065.db2.gz JCBXXSRADCUVJA-NEPJUHHUSA-N 1 0 375.878 2.742 20 5 GFBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890451 564752863 /nfs/dbraw/zinc/75/28/63/564752863.db2.gz UXRCFTZGZJNVCV-WCQYABFASA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000555636566 564800677 /nfs/dbraw/zinc/80/06/77/564800677.db2.gz WEKWSWLVWYBILI-IINYFYTJSA-N 1 0 390.221 2.840 20 5 GFBDRO C[NH+](C)C[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583291617 564884300 /nfs/dbraw/zinc/88/43/00/564884300.db2.gz XLWOFTDSJGVZMX-LLVKDONJSA-N 1 0 389.237 2.583 20 5 GFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467798124 564973265 /nfs/dbraw/zinc/97/32/65/564973265.db2.gz LHCXQAVQCFGUFG-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000589314774 565161891 /nfs/dbraw/zinc/16/18/91/565161891.db2.gz SJIICNJYYGNWGW-GSJFWJNXSA-N 1 0 390.221 2.840 20 5 GFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593188456 565318635 /nfs/dbraw/zinc/31/86/35/565318635.db2.gz HXHFNSAFYQFFNL-IJLUTSLNSA-N 1 0 384.274 2.839 20 5 GFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000594712262 565410931 /nfs/dbraw/zinc/41/09/31/565410931.db2.gz ULAIMAAXSGPSCL-LLVKDONJSA-N 1 0 393.241 2.833 20 5 GFBDRO Cc1cncc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000594994875 565441390 /nfs/dbraw/zinc/44/13/90/565441390.db2.gz OCLPYGHSQOCSGS-UHFFFAOYSA-N 1 0 398.204 2.630 20 5 GFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000597716732 565572177 /nfs/dbraw/zinc/57/21/77/565572177.db2.gz SVNYRFOYYGNJSJ-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602165531 565827739 /nfs/dbraw/zinc/82/77/39/565827739.db2.gz CDJKVUIKOFNSQN-XBXGTLAGSA-N 1 0 382.258 2.643 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOC[C@@H]2CCOC2)cc1Br ZINC000602561283 565855396 /nfs/dbraw/zinc/85/53/96/565855396.db2.gz XNXIVRNFKIJHQN-JTQLQIEISA-N 1 0 379.276 2.952 20 5 GFBDRO COC(=O)CC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602591576 565856675 /nfs/dbraw/zinc/85/66/75/565856675.db2.gz ZWNMQKADNHOFBK-UHFFFAOYSA-N 1 0 393.259 2.621 20 5 GFBDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602654309 565861194 /nfs/dbraw/zinc/86/11/94/565861194.db2.gz LBBJSDGNOJDWMQ-UHFFFAOYSA-N 1 0 397.316 2.866 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000603640467 565912636 /nfs/dbraw/zinc/91/26/36/565912636.db2.gz DOKHJHRYFZCXOH-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000738360324 598944811 /nfs/dbraw/zinc/94/48/11/598944811.db2.gz VPHMMAQGSBKNFW-MRXNPFEDSA-N 1 0 379.424 2.851 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000738359644 598249409 /nfs/dbraw/zinc/24/94/09/598249409.db2.gz KZQUQTLPOIUBRM-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000821197414 599320382 /nfs/dbraw/zinc/32/03/82/599320382.db2.gz KVZALMGHPJCDPV-UHFFFAOYSA-N 1 0 382.428 2.624 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000823630474 599432137 /nfs/dbraw/zinc/43/21/37/599432137.db2.gz XLWLOBRLYURDDV-UHFFFAOYSA-N 1 0 379.424 2.983 20 5 GFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000820921516 606621331 /nfs/dbraw/zinc/62/13/31/606621331.db2.gz ZAKYMTIDAQLQNQ-BLLLJJGKSA-N 1 0 395.423 2.843 20 5 GFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000820921518 606621619 /nfs/dbraw/zinc/62/16/19/606621619.db2.gz ZAKYMTIDAQLQNQ-MLGOLLRUSA-N 1 0 395.423 2.843 20 5 GFBDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1[N+](=O)[O-] ZINC000826202986 608505853 /nfs/dbraw/zinc/50/58/53/608505853.db2.gz VGSQLAGPLRENJP-MRXNPFEDSA-N 1 0 380.408 2.951 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000124377924 654775533 /nfs/dbraw/zinc/77/55/33/654775533.db2.gz HJPTYXHPYFAIOE-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266320515 654871837 /nfs/dbraw/zinc/87/18/37/654871837.db2.gz QZOOPPPQRFTARZ-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000269001218 654994677 /nfs/dbraw/zinc/99/46/77/654994677.db2.gz PDHMLSAUVNDUQG-FZMZJTMJSA-N 1 0 382.258 2.914 20 5 GFBDRO Cc1nc2c(s1)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000273468743 655144434 /nfs/dbraw/zinc/14/44/34/655144434.db2.gz RNWCJBUCPYTJPC-CQSZACIVSA-N 1 0 381.479 2.801 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176084416 655234651 /nfs/dbraw/zinc/23/46/51/655234651.db2.gz IJZMKYBRXJYNKY-CQSZACIVSA-N 1 0 382.258 2.597 20 5 GFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839573482 661092912 /nfs/dbraw/zinc/09/29/12/661092912.db2.gz BALYTFXNGYMDDO-GFCCVEGCSA-N 1 0 386.290 2.634 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119585274 655307940 /nfs/dbraw/zinc/30/79/40/655307940.db2.gz XRWGVVAHPUMQLA-STQMWFEESA-N 1 0 375.516 2.693 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000292819435 655354826 /nfs/dbraw/zinc/35/48/26/655354826.db2.gz NVBZZSQCEOIPCI-MRXNPFEDSA-N 1 0 387.889 2.663 20 5 GFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293148187 655359325 /nfs/dbraw/zinc/35/93/25/655359325.db2.gz DLHLPDZSZJIPST-JKSUJKDBSA-N 1 0 384.274 2.652 20 5 GFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000578006564 655470942 /nfs/dbraw/zinc/47/09/42/655470942.db2.gz KBCWFDWYFXWMEJ-MRXNPFEDSA-N 1 0 395.253 2.929 20 5 GFBDRO C[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000596177214 655514520 /nfs/dbraw/zinc/51/45/20/655514520.db2.gz CSHQKCNHYDRZFV-DZGCQCFKSA-N 1 0 397.317 2.820 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000725822602 655527045 /nfs/dbraw/zinc/52/70/45/655527045.db2.gz HUIHPOXTXLIVTJ-NEPJUHHUSA-N 1 0 375.878 2.789 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000732568025 655598082 /nfs/dbraw/zinc/59/80/82/655598082.db2.gz YOESOAHQXIYNFU-UHFFFAOYSA-N 1 0 389.206 2.780 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000752231559 655841017 /nfs/dbraw/zinc/84/10/17/655841017.db2.gz JMEKTMOQLHYPOT-UHFFFAOYSA-N 1 0 375.878 2.711 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000752247949 655841359 /nfs/dbraw/zinc/84/13/59/655841359.db2.gz RQPBIESBBQYBLO-ZDUSSCGKSA-N 1 0 387.889 2.806 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752258802 655841780 /nfs/dbraw/zinc/84/17/80/655841780.db2.gz FSLUIUFOCIRZEP-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000754637706 655870675 /nfs/dbraw/zinc/87/06/75/655870675.db2.gz XJPMYUWUGTUAOT-LLVKDONJSA-N 1 0 386.221 2.807 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841161035 661240161 /nfs/dbraw/zinc/24/01/61/661240161.db2.gz HGLQVDINPRXTNH-UHFFFAOYSA-N 1 0 383.246 2.965 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000770427495 656319041 /nfs/dbraw/zinc/31/90/41/656319041.db2.gz PNNGSGJMXNRJGX-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000775592219 656651667 /nfs/dbraw/zinc/65/16/67/656651667.db2.gz GKZJPJQWTJAVHE-UHFFFAOYSA-N 1 0 377.894 2.954 20 5 GFBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421499 658094902 /nfs/dbraw/zinc/09/49/02/658094902.db2.gz NLBZHMPPBIYKPE-SECBINFHSA-N 1 0 384.285 2.910 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]2C1 ZINC000793927113 658458336 /nfs/dbraw/zinc/45/83/36/658458336.db2.gz GRAQFEZOMUVODK-ZJUUUORDSA-N 1 0 386.221 2.520 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000795956235 658876908 /nfs/dbraw/zinc/87/69/08/658876908.db2.gz WGBYNPHVRJKSRN-UHFFFAOYSA-N 1 0 391.852 2.540 20 5 GFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284552 658910015 /nfs/dbraw/zinc/91/00/15/658910015.db2.gz LXCZSWMRTXOMTB-IAGOWNOFSA-N 1 0 395.253 2.888 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805112893 659742149 /nfs/dbraw/zinc/74/21/49/659742149.db2.gz FIDRGKADEZDKOZ-JSGCOSHPSA-N 1 0 387.889 2.804 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815020267 660102455 /nfs/dbraw/zinc/10/24/55/660102455.db2.gz WAUZTDLLGJESGQ-WDEREUQCSA-N 1 0 393.868 2.881 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000841550481 661296842 /nfs/dbraw/zinc/29/68/42/661296842.db2.gz XJKJPHBZAIIKPD-LBPRGKRZSA-N 1 0 375.878 2.567 20 5 GFBDRO O=C(NCCC[NH2+]C1CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841918589 661317643 /nfs/dbraw/zinc/31/76/43/661317643.db2.gz PMAZDRHTFKVVDG-UHFFFAOYSA-N 1 0 397.273 2.567 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000842481083 661341381 /nfs/dbraw/zinc/34/13/81/661341381.db2.gz FWIACCFQPNUYCU-QWHCGFSZSA-N 1 0 387.889 2.852 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846231460 661539266 /nfs/dbraw/zinc/53/92/66/661539266.db2.gz LTUAMSICMNTXGB-ZWNOBZJWSA-N 1 0 375.878 2.695 20 5 GFBDRO CC(C)[C@H]([NH3+])CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000851678389 661828174 /nfs/dbraw/zinc/82/81/74/661828174.db2.gz XLQTWSRYHSFSDZ-CQSZACIVSA-N 1 0 399.289 2.798 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000851812011 661833699 /nfs/dbraw/zinc/83/36/99/661833699.db2.gz CWNVKSSLEZMUSF-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856257028 662027197 /nfs/dbraw/zinc/02/71/97/662027197.db2.gz RPQFORAVALXFDI-LBPRGKRZSA-N 1 0 388.251 2.573 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000862279656 662279210 /nfs/dbraw/zinc/27/92/10/662279210.db2.gz RQXNJZBUUWULBO-CHWSQXEVSA-N 1 0 376.356 2.859 20 5 GFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC000863920111 662349747 /nfs/dbraw/zinc/34/97/47/662349747.db2.gz CWGVZLWJSYQHQQ-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865048662 662396165 /nfs/dbraw/zinc/39/61/65/662396165.db2.gz ZTRAJROEVZLGOP-CYBMUJFWSA-N 1 0 384.274 2.748 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000865576265 662430133 /nfs/dbraw/zinc/43/01/33/662430133.db2.gz HOPIMKJNVZIFPK-AWEZNQCLSA-N 1 0 396.285 2.987 20 5 GFBDRO CC(C)[NH+]1CCC(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000866086045 662459650 /nfs/dbraw/zinc/45/96/50/662459650.db2.gz NDFOBEWTANAUHJ-UHFFFAOYSA-N 1 0 375.516 2.982 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866709935 662491089 /nfs/dbraw/zinc/49/10/89/662491089.db2.gz NMFVMGWDIVRYMS-ZFWWWQNUSA-N 1 0 396.285 2.843 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839567 662838108 /nfs/dbraw/zinc/83/81/08/662838108.db2.gz WYYVOKJDUSIWGG-VXGBXAGGSA-N 1 0 386.221 2.805 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839565 662838175 /nfs/dbraw/zinc/83/81/75/662838175.db2.gz WYYVOKJDUSIWGG-NWDGAFQWSA-N 1 0 386.221 2.805 20 5 GFBDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000876996913 662869445 /nfs/dbraw/zinc/86/94/45/662869445.db2.gz HYMAKIKVDKEARN-MRVPVSSYSA-N 1 0 378.248 2.739 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3cccc(Br)c3)C2)c1 ZINC000877084975 662870866 /nfs/dbraw/zinc/87/08/66/662870866.db2.gz KSVHUTHZWDUVNH-PIMMBPRGSA-N 1 0 381.230 2.581 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877356536 662874186 /nfs/dbraw/zinc/87/41/86/662874186.db2.gz SGEXOKJVJHMXCX-YUMQZZPRSA-N 1 0 396.163 2.567 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877360523 662874565 /nfs/dbraw/zinc/87/45/65/662874565.db2.gz MNCTWKMXJFJCRH-KCJUWKMLSA-N 1 0 396.163 2.567 20 5 GFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877366755 662874741 /nfs/dbraw/zinc/87/47/41/662874741.db2.gz BBYRYVVUHFRLTL-OPQQBVKSSA-N 1 0 377.388 2.671 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000881926465 663010039 /nfs/dbraw/zinc/01/00/39/663010039.db2.gz HWBSTZROJNPROE-ZDUSSCGKSA-N 1 0 387.889 2.663 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000882047265 663014853 /nfs/dbraw/zinc/01/48/53/663014853.db2.gz QDKJWPZQHCDRJK-LBPRGKRZSA-N 1 0 389.905 2.907 20 5 GFBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000883456803 663055401 /nfs/dbraw/zinc/05/54/01/663055401.db2.gz JPKJFOLSMUBOHG-MFKMUULPSA-N 1 0 385.262 2.639 20 5 GFBDRO O=C(NCCC1CC[NH2+]CC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892233372 663366761 /nfs/dbraw/zinc/36/67/61/663366761.db2.gz OQFZPBSTABFHFJ-UHFFFAOYSA-N 1 0 385.262 2.546 20 5 GFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000893800975 663425304 /nfs/dbraw/zinc/42/53/04/663425304.db2.gz RXZUHFDGUAHFKQ-CYBMUJFWSA-N 1 0 384.274 2.889 20 5 GFBDRO CC(C)(O)C[NH+]1CCC(NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000895610393 663520901 /nfs/dbraw/zinc/52/09/01/663520901.db2.gz AHDDPGYMRWWDEX-UHFFFAOYSA-N 1 0 386.290 2.682 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219743 663595192 /nfs/dbraw/zinc/59/51/92/663595192.db2.gz NOHJSBVHOURSGW-CHWSQXEVSA-N 1 0 388.237 2.532 20 5 GFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000905358739 663867243 /nfs/dbraw/zinc/86/72/43/663867243.db2.gz IZTGILVAEDXXES-OAHLLOKOSA-N 1 0 387.889 2.647 20 5 GFBDRO C[C@]1(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912374953 664283727 /nfs/dbraw/zinc/28/37/27/664283727.db2.gz RWXWQECZYNOPTM-INIZCTEOSA-N 1 0 382.258 2.500 20 5 GFBDRO COc1ccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000922803304 664615080 /nfs/dbraw/zinc/61/50/80/664615080.db2.gz UYGUONAEZHIHLS-UHFFFAOYSA-N 1 0 381.230 2.841 20 5 GFBDRO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000923438626 664630562 /nfs/dbraw/zinc/63/05/62/664630562.db2.gz ASSXUKOZHUZISZ-CQSZACIVSA-N 1 0 384.274 2.687 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000933366324 664860602 /nfs/dbraw/zinc/86/06/02/664860602.db2.gz BERBEQJWXDBJAI-CMPLNLGQSA-N 1 0 399.289 2.884 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000933437756 664863955 /nfs/dbraw/zinc/86/39/55/664863955.db2.gz FWIAVKFYRUZYDG-GXFFZTMASA-N 1 0 399.289 2.742 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164618477 719068337 /nfs/dbraw/zinc/06/83/37/719068337.db2.gz AUVMREUGGDZNMZ-QAPCUYQASA-N 1 0 383.408 2.999 20 5 GFBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837889 720509235 /nfs/dbraw/zinc/50/92/35/720509235.db2.gz QLVLKENBPBKETP-YQVWRLOYSA-N 1 0 384.484 2.873 20 5 GFBDRO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840574 720520132 /nfs/dbraw/zinc/52/01/32/720520132.db2.gz WJQFHHVQEYLUIG-FGTMMUONSA-N 1 0 384.484 2.873 20 5 GFBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770899 721298496 /nfs/dbraw/zinc/29/84/96/721298496.db2.gz XCUUNLVLLKVRAB-UHFFFAOYSA-N 1 0 391.781 2.979 20 5 GFBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164792946 721496388 /nfs/dbraw/zinc/49/63/88/721496388.db2.gz VWCORTBUFSHBQN-UHFFFAOYSA-N 1 0 382.468 2.848 20 5 GFBDRO COc1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165026864 721812265 /nfs/dbraw/zinc/81/22/65/721812265.db2.gz RUUJNSBURIFOKC-BHYGNILZSA-N 1 0 398.467 2.525 20 5 GFBDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121125394 551227789 /nfs/dbraw/zinc/22/77/89/551227789.db2.gz NXPREXWTHVNJJE-GFCCVEGCSA-N 1 0 383.495 2.913 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122400083 551297515 /nfs/dbraw/zinc/29/75/15/551297515.db2.gz HBZAUZNCFMGFML-OCCSQVGLSA-N 1 0 387.889 2.661 20 5 GFBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000127563713 551342069 /nfs/dbraw/zinc/34/20/69/551342069.db2.gz MPFPOYJDHSPWNU-ZYHUDNBSSA-N 1 0 382.258 2.641 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000164072325 551623904 /nfs/dbraw/zinc/62/39/04/551623904.db2.gz COBJBFIJPIUEHK-TZMCWYRMSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173633337 552089932 /nfs/dbraw/zinc/08/99/32/552089932.db2.gz PQMMNEUJLXPXOW-CYBMUJFWSA-N 1 0 387.889 2.745 20 5 GFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178461020 552170584 /nfs/dbraw/zinc/17/05/84/552170584.db2.gz JBNWCUURTBIFTL-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000181500427 552258251 /nfs/dbraw/zinc/25/82/51/552258251.db2.gz WDUNQNVTUXZRKI-CYBMUJFWSA-N 1 0 383.495 2.936 20 5 GFBDRO O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CCC[NH2+]CC1 ZINC000237810096 553082397 /nfs/dbraw/zinc/08/23/97/553082397.db2.gz BRVIUIXJLZUCIY-UHFFFAOYSA-N 1 0 384.223 2.523 20 5 GFBDRO CN1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000295200325 563234950 /nfs/dbraw/zinc/23/49/50/563234950.db2.gz SKQPYNRFKVCPKT-JOYOIKCWSA-N 1 0 394.280 2.616 20 5 GFBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295233228 563237797 /nfs/dbraw/zinc/23/77/97/563237797.db2.gz BWACTJBCPJVLLH-NSHDSACASA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C2CC2)C1 ZINC000295253892 563238248 /nfs/dbraw/zinc/23/82/48/563238248.db2.gz FINTZLBHMMICOH-LLVKDONJSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCC2(O)CCC2)c1 ZINC000421381292 563308465 /nfs/dbraw/zinc/30/84/65/563308465.db2.gz KGVIWEINCFANTR-UHFFFAOYSA-N 1 0 390.221 2.984 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000425408136 563420564 /nfs/dbraw/zinc/42/05/64/563420564.db2.gz SHWZBPCFRKYGDQ-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@H]21 ZINC000376729791 563452154 /nfs/dbraw/zinc/45/21/54/563452154.db2.gz STWQBZUJRSBWNJ-TVQRCGJNSA-N 1 0 386.221 2.663 20 5 GFBDRO O=C(Nc1cnccc1-n1ccnn1)c1cccc([N+](=O)[O-])c1Br ZINC000377440869 563475393 /nfs/dbraw/zinc/47/53/93/563475393.db2.gz CKRLORSDJXYJAM-UHFFFAOYSA-N 1 0 389.169 2.585 20 5 GFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000330563119 563510976 /nfs/dbraw/zinc/51/09/76/563510976.db2.gz JURMAPWUJLTJGZ-NEPJUHHUSA-N 1 0 399.289 2.710 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000408001174 563541379 /nfs/dbraw/zinc/54/13/79/563541379.db2.gz AVIAMLCLYAENOC-PWSUYJOCSA-N 1 0 382.258 2.974 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000331581261 563553449 /nfs/dbraw/zinc/55/34/49/563553449.db2.gz WPYTZOQNSXGLJK-RFAUZJTJSA-N 1 0 382.258 2.878 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332103489 563576348 /nfs/dbraw/zinc/57/63/48/563576348.db2.gz ZAQAZGHVGLPCHJ-SWLSCSKDSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000289136659 563669205 /nfs/dbraw/zinc/66/92/05/563669205.db2.gz FGVMVIHCCRRVKY-UWVGGRQHSA-N 1 0 378.479 2.987 20 5 GFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000365103502 563774049 /nfs/dbraw/zinc/77/40/49/563774049.db2.gz BOCBNPZJCWJOQK-UHFFFAOYSA-N 1 0 381.479 2.599 20 5 GFBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365539519 563786015 /nfs/dbraw/zinc/78/60/15/563786015.db2.gz PZRFOVKVSAYLHG-KCQAQPDRSA-N 1 0 394.269 2.914 20 5 GFBDRO COCC[N@H+](C)CCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443449745 563805775 /nfs/dbraw/zinc/80/57/75/563805775.db2.gz UDWNPYOWVAJPBW-UHFFFAOYSA-N 1 0 397.273 2.708 20 5 GFBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416480814 563835869 /nfs/dbraw/zinc/83/58/69/563835869.db2.gz AQSNTXGBXNQBAW-SNVBAGLBSA-N 1 0 383.392 2.621 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367288232 563839252 /nfs/dbraw/zinc/83/92/52/563839252.db2.gz WIXHZRFMFWVYDD-MRXNPFEDSA-N 1 0 382.258 2.502 20 5 GFBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543121 563848088 /nfs/dbraw/zinc/84/80/88/563848088.db2.gz XWPVFFUTEDHDLG-OCCSQVGLSA-N 1 0 382.258 2.848 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000537941808 564178521 /nfs/dbraw/zinc/17/85/21/564178521.db2.gz DMLSKVHMMQKPGZ-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000450266600 564225053 /nfs/dbraw/zinc/22/50/53/564225053.db2.gz RVNPGKIPCFVWAH-CHWSQXEVSA-N 1 0 377.388 2.731 20 5 GFBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000473953803 564259638 /nfs/dbraw/zinc/25/96/38/564259638.db2.gz VHSWFQUHAYILLL-CQSZACIVSA-N 1 0 377.894 2.893 20 5 GFBDRO C[C@@H]([N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000570038933 564488578 /nfs/dbraw/zinc/48/85/78/564488578.db2.gz JEQIHUBNDZZRJZ-SECBINFHSA-N 1 0 378.210 2.791 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000571927358 564572869 /nfs/dbraw/zinc/57/28/69/564572869.db2.gz ABUYMSKBXCRYOR-SMDDNHRTSA-N 1 0 390.221 2.840 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000550707616 564629844 /nfs/dbraw/zinc/62/98/44/564629844.db2.gz UBOWISBKPLVLFK-HNNXBMFYSA-N 1 0 382.258 2.832 20 5 GFBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000487953348 564699659 /nfs/dbraw/zinc/69/96/59/564699659.db2.gz KFUWVKXNRGQHNM-OAHLLOKOSA-N 1 0 399.289 2.568 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000525387739 564699743 /nfs/dbraw/zinc/69/97/43/564699743.db2.gz JCBXXSRADCUVJA-RYUDHWBXSA-N 1 0 375.878 2.742 20 5 GFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552882819 564703555 /nfs/dbraw/zinc/70/35/55/564703555.db2.gz AYYOTHUQQYKVRC-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000577303233 564733552 /nfs/dbraw/zinc/73/35/52/564733552.db2.gz LLJICJQOAYLBJT-COLVAYQJSA-N 1 0 386.905 2.553 20 5 GFBDRO Cc1cc(Cl)ccc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000463740968 564888811 /nfs/dbraw/zinc/88/88/11/564888811.db2.gz HJNUPNKXVGBXRG-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO CN(CC[N@H+](C)C1CC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460329 564901948 /nfs/dbraw/zinc/90/19/48/564901948.db2.gz XRQRGYXRKZLGNN-UHFFFAOYSA-N 1 0 389.237 2.725 20 5 GFBDRO CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000613916373 565085602 /nfs/dbraw/zinc/08/56/02/565085602.db2.gz AHZGZMLHTAHTAT-STQMWFEESA-N 1 0 387.303 2.768 20 5 GFBDRO CC(C)[C@H](CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584689920 565091878 /nfs/dbraw/zinc/09/18/78/565091878.db2.gz LYVKWNBAPIORRA-NSHDSACASA-N 1 0 378.210 2.554 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[N@@H+](CCCO)C2CC2)c1 ZINC000589254329 565157693 /nfs/dbraw/zinc/15/76/93/565157693.db2.gz SIEIKQMNLDJHEU-UHFFFAOYSA-N 1 0 376.194 2.546 20 5 GFBDRO CC(C)[NH2+][C@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000591364564 565226909 /nfs/dbraw/zinc/22/69/09/565226909.db2.gz GXCOXPJQHWIMTK-JTQLQIEISA-N 1 0 390.225 2.561 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789686 565421342 /nfs/dbraw/zinc/42/13/42/565421342.db2.gz KBVNFTNQQRKIDE-NSHDSACASA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595116546 565448925 /nfs/dbraw/zinc/44/89/25/565448925.db2.gz RQJXITKQWULPDJ-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO C[C@]1(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC[NH2+]C1 ZINC000595991832 565504716 /nfs/dbraw/zinc/50/47/16/565504716.db2.gz LSJPFRNFWGZYJN-HNNXBMFYSA-N 1 0 384.223 2.569 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000602480646 565850938 /nfs/dbraw/zinc/85/09/38/565850938.db2.gz HZZUKOJMLJWPQN-CYBMUJFWSA-N 1 0 382.258 2.962 20 5 GFBDRO O=C1C[C@@H]([C@H]2CCCCN2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493002 565851049 /nfs/dbraw/zinc/85/10/49/565851049.db2.gz GOGKOTVRORWJTD-BXKDBHETSA-N 1 0 388.287 2.909 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000602541666 565853864 /nfs/dbraw/zinc/85/38/64/565853864.db2.gz QPKQPLBZMBLDSQ-PWSUYJOCSA-N 1 0 379.766 2.776 20 5 GFBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](C)N1CCOCC1 ZINC000602564048 565855036 /nfs/dbraw/zinc/85/50/36/565855036.db2.gz KQTXIYFXGHZXCY-UWVGGRQHSA-N 1 0 378.292 2.618 20 5 GFBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602638214 565859099 /nfs/dbraw/zinc/85/90/99/565859099.db2.gz NULIKURPCKBLIS-JTQLQIEISA-N 1 0 376.276 2.767 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000603975472 565920403 /nfs/dbraw/zinc/92/04/03/565920403.db2.gz CHRZBWHUKZILKM-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000822060990 599392589 /nfs/dbraw/zinc/39/25/89/599392589.db2.gz KJFSZVOEDREJLI-QWHCGFSZSA-N 1 0 395.423 2.761 20 5 GFBDRO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCCC1 ZINC000824426507 608370572 /nfs/dbraw/zinc/37/05/72/608370572.db2.gz GTLSLSIVKIIKNM-CYBMUJFWSA-N 1 0 396.455 2.857 20 5 GFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccsc1 ZINC000825427528 660426779 /nfs/dbraw/zinc/42/67/79/660426779.db2.gz CRFAWGURMHWJMO-LBPRGKRZSA-N 1 0 399.270 2.847 20 5 GFBDRO C[NH+](C)CCC[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000827855913 660519716 /nfs/dbraw/zinc/51/97/16/660519716.db2.gz KFBFRUJNPJUQKK-ZDUSSCGKSA-N 1 0 386.290 2.900 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Cl ZINC000830002432 660629391 /nfs/dbraw/zinc/62/93/91/660629391.db2.gz KDUPTIGFECWDMO-GHMZBOCLSA-N 1 0 394.280 2.807 20 5 GFBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000061035317 654835633 /nfs/dbraw/zinc/83/56/33/654835633.db2.gz JHKWMYKAPCARQL-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266209498 654863300 /nfs/dbraw/zinc/86/33/00/654863300.db2.gz MJEMUEQAKOKGJR-LLVKDONJSA-N 1 0 377.413 2.512 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266320512 654871829 /nfs/dbraw/zinc/87/18/29/654871829.db2.gz QZOOPPPQRFTARZ-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000267194321 654916506 /nfs/dbraw/zinc/91/65/06/654916506.db2.gz DSMVXDQABLXJHK-UHFFFAOYSA-N 1 0 399.289 2.834 20 5 GFBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(Br)ccc3[N+](=O)[O-])C2)CC1 ZINC000268854066 654989312 /nfs/dbraw/zinc/98/93/12/654989312.db2.gz YSEMJDOBBJGYBU-CQSZACIVSA-N 1 0 383.290 2.574 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000269317790 655005690 /nfs/dbraw/zinc/00/56/90/655005690.db2.gz XZUIXAIUTJADFW-LBPRGKRZSA-N 1 0 375.878 2.519 20 5 GFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272562712 655116481 /nfs/dbraw/zinc/11/64/81/655116481.db2.gz FCHDQJDSMPDZAA-NSHDSACASA-N 1 0 383.857 2.789 20 5 GFBDRO CC(C)C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000110127314 655155486 /nfs/dbraw/zinc/15/54/86/655155486.db2.gz DCXKWNWRPHSTET-LLVKDONJSA-N 1 0 379.429 2.979 20 5 GFBDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178655952 655307177 /nfs/dbraw/zinc/30/71/77/655307177.db2.gz AVXSVNVGCXFGIR-NSHDSACASA-N 1 0 377.413 2.510 20 5 GFBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000178744496 655308995 /nfs/dbraw/zinc/30/89/95/655308995.db2.gz ISNROSRWTBEYRW-SECBINFHSA-N 1 0 384.223 2.569 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cs1 ZINC000120118765 655328253 /nfs/dbraw/zinc/32/82/53/655328253.db2.gz DBKWMZKYSLZTJI-ZDUSSCGKSA-N 1 0 379.463 2.830 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522381 655351965 /nfs/dbraw/zinc/35/19/65/655351965.db2.gz WKJXTEFRBHZQKK-GDBMZVCRSA-N 1 0 382.873 2.672 20 5 GFBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000293912900 655362610 /nfs/dbraw/zinc/36/26/10/655362610.db2.gz SAJXJMJTNBYEOI-QMMMGPOBSA-N 1 0 378.654 2.938 20 5 GFBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577376347 655458170 /nfs/dbraw/zinc/45/81/70/655458170.db2.gz YITRBEMXQCPNDS-JTQLQIEISA-N 1 0 386.193 2.574 20 5 GFBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000749568748 655805880 /nfs/dbraw/zinc/80/58/80/655805880.db2.gz SKYOTBRICBTTOQ-SECBINFHSA-N 1 0 376.638 2.835 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000762280838 656037988 /nfs/dbraw/zinc/03/79/88/656037988.db2.gz VUSXYPZCVZLBRW-LLVKDONJSA-N 1 0 375.878 2.567 20 5 GFBDRO CC(C)[N@H+](C)Cc1cccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000840950271 661216929 /nfs/dbraw/zinc/21/69/29/661216929.db2.gz GOQUMSBYXWHGBL-UHFFFAOYSA-N 1 0 383.495 2.975 20 5 GFBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770380003 656317953 /nfs/dbraw/zinc/31/79/53/656317953.db2.gz MLHUUOAKWXJVAD-RISCZKNCSA-N 1 0 382.258 2.848 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000841526960 661290745 /nfs/dbraw/zinc/29/07/45/661290745.db2.gz FUUKNVOOJKDCST-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000783702630 657252456 /nfs/dbraw/zinc/25/24/56/657252456.db2.gz XIRYTRRNMZQUGW-LBPRGKRZSA-N 1 0 386.290 2.634 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000784706444 657322880 /nfs/dbraw/zinc/32/28/80/657322880.db2.gz DBPXEUWKPAKGFB-LBPRGKRZSA-N 1 0 375.878 2.708 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719544 657323849 /nfs/dbraw/zinc/32/38/49/657323849.db2.gz CBGSBJMMZARICT-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791421153 658095005 /nfs/dbraw/zinc/09/50/05/658095005.db2.gz ICDXNVYZWRSPEC-VIFPVBQESA-N 1 0 382.269 2.616 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000809814527 659941252 /nfs/dbraw/zinc/94/12/52/659941252.db2.gz PFTFKFVSFAPLGB-QMMMGPOBSA-N 1 0 382.269 2.663 20 5 GFBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814996266 660100631 /nfs/dbraw/zinc/10/06/31/660100631.db2.gz NQZWTXYNRDYHSP-UHFFFAOYSA-N 1 0 393.868 2.929 20 5 GFBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815029263 660103949 /nfs/dbraw/zinc/10/39/49/660103949.db2.gz PTSSEJNWLRRXIB-UHFFFAOYSA-N 1 0 391.852 2.636 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br ZINC000815290666 660119943 /nfs/dbraw/zinc/11/99/43/660119943.db2.gz MNDPTECGCQSCTQ-HZPDHXFCSA-N 1 0 385.258 2.767 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br ZINC000815290667 660119963 /nfs/dbraw/zinc/11/99/63/660119963.db2.gz MNDPTECGCQSCTQ-JKSUJKDBSA-N 1 0 385.258 2.767 20 5 GFBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000817147978 660183655 /nfs/dbraw/zinc/18/36/55/660183655.db2.gz YYJVWULUJUDGPK-UHFFFAOYSA-N 1 0 379.841 2.538 20 5 GFBDRO C[NH2+]C[C@H](C)c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000842579994 661344147 /nfs/dbraw/zinc/34/41/47/661344147.db2.gz RLGPLFWKULUZNB-ZETCQYMHSA-N 1 0 388.165 2.572 20 5 GFBDRO O=[N+]([O-])c1ccc(I)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000842641209 661347274 /nfs/dbraw/zinc/34/72/74/661347274.db2.gz NTOANVFZMJNAIE-SNVBAGLBSA-N 1 0 386.149 2.674 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000842863444 661357756 /nfs/dbraw/zinc/35/77/56/661357756.db2.gz JSJXHRBCPJRLAA-HAQNSBGRSA-N 1 0 375.878 2.600 20 5 GFBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843514222 661383933 /nfs/dbraw/zinc/38/39/33/661383933.db2.gz NIQBDZBOZKPEGC-LBPRGKRZSA-N 1 0 386.221 2.901 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000846231455 661539249 /nfs/dbraw/zinc/53/92/49/661539249.db2.gz LTUAMSICMNTXGB-GWCFXTLKSA-N 1 0 375.878 2.695 20 5 GFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCCC2 ZINC000850519142 661780551 /nfs/dbraw/zinc/78/05/51/661780551.db2.gz XWSBPXXURPMXOF-AWEZNQCLSA-N 1 0 380.388 2.929 20 5 GFBDRO C[NH+](C)[C@@H]1CCc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000857901168 662094371 /nfs/dbraw/zinc/09/43/71/662094371.db2.gz HQZUSFJLLLBLPH-CYBMUJFWSA-N 1 0 381.479 2.728 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000864883450 662389465 /nfs/dbraw/zinc/38/94/65/662389465.db2.gz AAUGYPNZPGDTCZ-ZIAGYGMSSA-N 1 0 382.258 2.643 20 5 GFBDRO C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000864932170 662391551 /nfs/dbraw/zinc/39/15/51/662391551.db2.gz VCEAEMSYTPDHSU-GFCCVEGCSA-N 1 0 384.274 2.748 20 5 GFBDRO CC[NH+]1CCC(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864994659 662394066 /nfs/dbraw/zinc/39/40/66/662394066.db2.gz VRDALGYZBDERKJ-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000865060321 662396804 /nfs/dbraw/zinc/39/68/04/662396804.db2.gz ZKXXHLNHXVTKOS-AWEZNQCLSA-N 1 0 396.285 2.987 20 5 GFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310483 662541278 /nfs/dbraw/zinc/54/12/78/662541278.db2.gz ZPFIEJHGXWKIOA-GZMMTYOYSA-N 1 0 382.269 2.615 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC1CC[NH+](C2CC2)CC1 ZINC000867851254 662582644 /nfs/dbraw/zinc/58/26/44/662582644.db2.gz QMJAKBUDELTJMK-UHFFFAOYSA-N 1 0 396.285 2.890 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000873227196 662804163 /nfs/dbraw/zinc/80/41/63/662804163.db2.gz IAWXDEUBPNSYFZ-WPRPVWTQSA-N 1 0 382.180 2.926 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874833454 662837876 /nfs/dbraw/zinc/83/78/76/662837876.db2.gz NBGVBAMHFFSCFH-ZIAGYGMSSA-N 1 0 382.258 2.974 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000878691576 662902704 /nfs/dbraw/zinc/90/27/04/662902704.db2.gz PEUVXMRNFSVFLN-CQSZACIVSA-N 1 0 383.246 2.528 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000879271631 662922141 /nfs/dbraw/zinc/92/21/41/662922141.db2.gz HIKRGEUALJPHNK-SJORKVTESA-N 1 0 395.253 2.888 20 5 GFBDRO CC[NH+]1CCN(CCNc2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881796661 663003775 /nfs/dbraw/zinc/00/37/75/663003775.db2.gz FLTJGOQZJNBJEW-UHFFFAOYSA-N 1 0 375.242 2.546 20 5 GFBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000882489894 663029057 /nfs/dbraw/zinc/02/90/57/663029057.db2.gz WKPGTQDNFJCCEK-SECBINFHSA-N 1 0 376.638 2.835 20 5 GFBDRO CC1([NH+]2CCC2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000882506392 663029612 /nfs/dbraw/zinc/02/96/12/663029612.db2.gz WQCFAGLUWLIGGR-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905426771 663870786 /nfs/dbraw/zinc/87/07/86/663870786.db2.gz JWCSYZZPJMBJJR-DOTOQJQBSA-N 1 0 395.253 2.932 20 5 GFBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603337 664294381 /nfs/dbraw/zinc/29/43/81/664294381.db2.gz SWKHUKMNNDAPKG-OLZOCXBDSA-N 1 0 382.258 2.960 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925763644 664674565 /nfs/dbraw/zinc/67/45/65/664674565.db2.gz SUQPIKFAIZJZCZ-SOUVJXGZSA-N 1 0 384.274 2.604 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC([NH+]3CCOCC3)CC2)c1 ZINC000931034856 664783766 /nfs/dbraw/zinc/78/37/66/664783766.db2.gz ACABATURGMFEAC-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO CN1CC[NH+](C2CCN(Cc3cc([N+](=O)[O-])ccc3Br)CC2)CC1 ZINC000931550395 664798303 /nfs/dbraw/zinc/79/83/03/664798303.db2.gz WDEPQJKQYYBJCU-UHFFFAOYSA-N 1 0 397.317 2.569 20 5 GFBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000932718429 664832943 /nfs/dbraw/zinc/83/29/43/664832943.db2.gz CKYRAAJNNSQDHP-UHFFFAOYSA-N 1 0 399.289 2.743 20 5 GFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624368 719080812 /nfs/dbraw/zinc/08/08/12/719080812.db2.gz LKUBNAYIWWUZFL-NVXWUHKLSA-N 1 0 388.855 2.982 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630156 719087447 /nfs/dbraw/zinc/08/74/47/719087447.db2.gz VQBIXOXRPNTEIJ-WBVHZDCISA-N 1 0 388.855 2.982 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812264 720073459 /nfs/dbraw/zinc/07/34/59/720073459.db2.gz QBGDZHQYHUKYDK-RDTXWAMCSA-N 1 0 380.876 2.828 20 5 GFBDRO Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164836992 720722419 /nfs/dbraw/zinc/72/24/19/720722419.db2.gz CMDPACPRNSFPSP-SFHVURJKSA-N 1 0 397.479 2.953 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@H]3C2)cn1 ZINC001164762110 721115916 /nfs/dbraw/zinc/11/59/16/721115916.db2.gz BYAMSYIXXAHPNX-DLBZAZTESA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982516 722124675 /nfs/dbraw/zinc/12/46/75/722124675.db2.gz WVKOIBBBNUAFOY-RTBURBONSA-N 1 0 397.479 2.729 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000359978409 209208697 /nfs/dbraw/zinc/20/86/97/209208697.db2.gz ZTAUQSFCAGYBFF-HUUCEWRRSA-N 1 0 378.812 2.968 20 5 GFBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000359874151 209197625 /nfs/dbraw/zinc/19/76/25/209197625.db2.gz MKVHHYCJBWSWAW-UHFFFAOYSA-N 1 0 375.454 2.736 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000056125550 551177185 /nfs/dbraw/zinc/17/71/85/551177185.db2.gz SYYVPJIFPQDJSX-GFCCVEGCSA-N 1 0 375.878 2.649 20 5 GFBDRO CN1CC[NH+]([C@@H]2CCCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127037989 551335968 /nfs/dbraw/zinc/33/59/68/551335968.db2.gz RKLZHLCFZSVHOD-OAHLLOKOSA-N 1 0 397.317 2.964 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000151188346 551409044 /nfs/dbraw/zinc/40/90/44/551409044.db2.gz SRUDNRKSJBNSSX-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000152452846 551433144 /nfs/dbraw/zinc/43/31/44/551433144.db2.gz FHODZMDJSFNAKQ-GFCCVEGCSA-N 1 0 383.495 2.902 20 5 GFBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163313614 551618416 /nfs/dbraw/zinc/61/84/16/551618416.db2.gz VAVNLGBMAOXPCF-JTQLQIEISA-N 1 0 383.392 2.622 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000173631558 552089394 /nfs/dbraw/zinc/08/93/94/552089394.db2.gz MLGLRQCSLNBKPK-ZDUSSCGKSA-N 1 0 387.889 2.745 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CC[NH+](CC2CC2)CC1 ZINC000175966433 552133257 /nfs/dbraw/zinc/13/32/57/552133257.db2.gz CDKSAECACAUKRB-UHFFFAOYSA-N 1 0 396.285 2.890 20 5 GFBDRO C[NH+](C)CCCC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179619528 552197614 /nfs/dbraw/zinc/19/76/14/552197614.db2.gz SWNNUHNBZZMEHX-UHFFFAOYSA-N 1 0 375.516 2.618 20 5 GFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc2c(cc1Br)OCCO2 ZINC000180463216 552226789 /nfs/dbraw/zinc/22/67/89/552226789.db2.gz WCBHJIIWTGTSBE-JTQLQIEISA-N 1 0 397.229 2.676 20 5 GFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1([NH+](C)C)CCC1 ZINC000186972075 552403323 /nfs/dbraw/zinc/40/33/23/552403323.db2.gz PYNNFSWPXYWEBT-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000236799478 553071581 /nfs/dbraw/zinc/07/15/81/553071581.db2.gz NUGOUXVQBIIIEN-NSHDSACASA-N 1 0 384.285 2.896 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246165001 553103320 /nfs/dbraw/zinc/10/33/20/553103320.db2.gz MCMJQCIIGFPDAZ-WCQYABFASA-N 1 0 375.878 2.599 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248197922 553128430 /nfs/dbraw/zinc/12/84/30/553128430.db2.gz XRKBWHMZCOEPHM-XHDPSFHLSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261892647 553162359 /nfs/dbraw/zinc/16/23/59/553162359.db2.gz NWNIHPHPSQCEAF-GHMZBOCLSA-N 1 0 377.242 2.951 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)c1 ZINC000369783782 563224785 /nfs/dbraw/zinc/22/47/85/563224785.db2.gz WSDLUPYBHXCDNN-HZPDHXFCSA-N 1 0 395.257 2.752 20 5 GFBDRO CN1CCC2(CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1=O ZINC000369798002 563225640 /nfs/dbraw/zinc/22/56/40/563225640.db2.gz AMCGVXPRKXVAGC-UHFFFAOYSA-N 1 0 382.258 2.802 20 5 GFBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420763702 563284819 /nfs/dbraw/zinc/28/48/19/563284819.db2.gz JOWXIXFPRZDKHD-JTQLQIEISA-N 1 0 382.269 2.616 20 5 GFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301214504 563396529 /nfs/dbraw/zinc/39/65/29/563396529.db2.gz ZCWGJDFUMJVEJG-HNNXBMFYSA-N 1 0 397.317 2.964 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425065130 563402623 /nfs/dbraw/zinc/40/26/23/563402623.db2.gz KEOZQEAVOFKUHE-XHDPSFHLSA-N 1 0 382.258 2.832 20 5 GFBDRO O=C(NCc1cnc2n1CCCC2)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000375388144 563402774 /nfs/dbraw/zinc/40/27/74/563402774.db2.gz PIYRVBJAWLSWCI-UHFFFAOYSA-N 1 0 379.214 2.820 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301667873 563409660 /nfs/dbraw/zinc/40/96/60/563409660.db2.gz MKECTXWIQNJQEL-ZDUSSCGKSA-N 1 0 384.274 2.906 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301930884 563415991 /nfs/dbraw/zinc/41/59/91/563415991.db2.gz LFKWGTKEHHHCSI-TXEJJXNPSA-N 1 0 375.516 2.840 20 5 GFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000330557335 563511109 /nfs/dbraw/zinc/51/11/09/563511109.db2.gz WPQXDJKUTYMXMW-OLZOCXBDSA-N 1 0 377.388 2.731 20 5 GFBDRO C[NH+]1CCC(C)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000330776246 563520898 /nfs/dbraw/zinc/52/08/98/563520898.db2.gz IRFJNNAABMTXJC-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO C[NH+]1CCC(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000286228507 563552847 /nfs/dbraw/zinc/55/28/47/563552847.db2.gz MAJYIGJUNPFCLB-UHFFFAOYSA-N 1 0 382.258 2.584 20 5 GFBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000332234152 563585684 /nfs/dbraw/zinc/58/56/84/563585684.db2.gz QFZDPFXHFANNCL-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO Cc1c(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cnn1C ZINC000289515529 563677213 /nfs/dbraw/zinc/67/72/13/563677213.db2.gz NIGAMIQKJQIECH-UHFFFAOYSA-N 1 0 386.193 2.531 20 5 GFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289836271 563688677 /nfs/dbraw/zinc/68/86/77/563688677.db2.gz LNSCAUWOHKNAIW-MFKMUULPSA-N 1 0 391.852 2.635 20 5 GFBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291406598 563742552 /nfs/dbraw/zinc/74/25/52/563742552.db2.gz FEENLUKGHGHUJN-UHFFFAOYSA-N 1 0 389.283 2.659 20 5 GFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449415949 564185962 /nfs/dbraw/zinc/18/59/62/564185962.db2.gz QMISSBQPDVPKEK-LBPRGKRZSA-N 1 0 376.194 2.857 20 5 GFBDRO CC[N@H+](CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000472238072 564217369 /nfs/dbraw/zinc/21/73/69/564217369.db2.gz FQPSZHAITHHONX-UHFFFAOYSA-N 1 0 383.246 2.955 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000564315475 564229075 /nfs/dbraw/zinc/22/90/75/564229075.db2.gz TVZXOICCNAUAQO-UHFFFAOYSA-N 1 0 383.857 2.617 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc(Br)c1 ZINC000567678666 564381915 /nfs/dbraw/zinc/38/19/15/564381915.db2.gz YZYQPSMWCXURFC-CQSZACIVSA-N 1 0 381.226 2.887 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571638252 564559958 /nfs/dbraw/zinc/55/99/58/564559958.db2.gz ANACBPRZJUZWRD-VXGBXAGGSA-N 1 0 382.258 2.819 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573841044 564656140 /nfs/dbraw/zinc/65/61/40/564656140.db2.gz GAVVUCULAXMYBZ-NEPJUHHUSA-N 1 0 382.258 2.819 20 5 GFBDRO C[N@@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000573858629 564657102 /nfs/dbraw/zinc/65/71/02/564657102.db2.gz ZWEZPVPDFNRUBG-UHFFFAOYSA-N 1 0 389.237 2.725 20 5 GFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000524264937 564679070 /nfs/dbraw/zinc/67/90/70/564679070.db2.gz JJOKWIAXAFGSOF-CQSZACIVSA-N 1 0 399.289 2.712 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000458225781 564694740 /nfs/dbraw/zinc/69/47/40/564694740.db2.gz SBEQXEKFJDDMFF-LBPRGKRZSA-N 1 0 384.274 2.748 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356505 564835267 /nfs/dbraw/zinc/83/52/67/564835267.db2.gz IAEWUKGDNUHUIW-CABZTGNLSA-N 1 0 396.296 2.862 20 5 GFBDRO Cc1sc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467406842 564962368 /nfs/dbraw/zinc/96/23/68/564962368.db2.gz LHGYVSAMSMHCFZ-VXGBXAGGSA-N 1 0 375.516 2.611 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000501491006 564981110 /nfs/dbraw/zinc/98/11/10/564981110.db2.gz LDUBVBXJTMZTDZ-OAHLLOKOSA-N 1 0 380.853 2.779 20 5 GFBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000503591980 565023936 /nfs/dbraw/zinc/02/39/36/565023936.db2.gz KWBDMVXBVCBMGN-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO CS[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000537925163 565064369 /nfs/dbraw/zinc/06/43/69/565064369.db2.gz MKCHNQRMBZPVMO-UKRRQHHQSA-N 1 0 387.889 2.521 20 5 GFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1COC[C@H]1O ZINC000589188697 565155027 /nfs/dbraw/zinc/15/50/27/565155027.db2.gz HIEDQZPMTKTJMT-HUUCEWRRSA-N 1 0 397.225 2.809 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591840673 565241522 /nfs/dbraw/zinc/24/15/22/565241522.db2.gz BZHLTPDMJQZIJX-HNNXBMFYSA-N 1 0 384.274 2.654 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c(I)c1 ZINC000592357157 565271170 /nfs/dbraw/zinc/27/11/70/565271170.db2.gz RMEZVZBKGJSFBD-JTQLQIEISA-N 1 0 386.149 2.674 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592569038 565282123 /nfs/dbraw/zinc/28/21/23/565282123.db2.gz WIEVBZWVZPMTRT-LBPRGKRZSA-N 1 0 382.258 2.691 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC2(CO)CCC2)c1 ZINC000593693276 565357443 /nfs/dbraw/zinc/35/74/43/565357443.db2.gz KJQYOGCCDNVICM-UHFFFAOYSA-N 1 0 390.221 2.842 20 5 GFBDRO CC1(C)C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000594953885 565436914 /nfs/dbraw/zinc/43/69/14/565436914.db2.gz KGJKGQSLUMVYHS-NSHDSACASA-N 1 0 376.194 2.857 20 5 GFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596111224 565514052 /nfs/dbraw/zinc/51/40/52/565514052.db2.gz YDXPNNADQXGICA-CQSZACIVSA-N 1 0 399.289 2.712 20 5 GFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714842 565571830 /nfs/dbraw/zinc/57/18/30/565571830.db2.gz KDMAYWQHCGDHDW-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCc2cc(F)cc(Br)c2C1 ZINC000599684209 565696581 /nfs/dbraw/zinc/69/65/81/565696581.db2.gz WFHHTXVOSUBQMU-UHFFFAOYSA-N 1 0 396.216 2.716 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000602491705 565850918 /nfs/dbraw/zinc/85/09/18/565850918.db2.gz RIDWVLYQXSNLKO-LBPRGKRZSA-N 1 0 382.258 2.819 20 5 GFBDRO COC1CCN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602586897 565856297 /nfs/dbraw/zinc/85/62/97/565856297.db2.gz FAQZQNSSBSZULM-UHFFFAOYSA-N 1 0 378.292 2.619 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1Br ZINC000602584233 565856339 /nfs/dbraw/zinc/85/63/39/565856339.db2.gz YSSUCEINBWBBCB-RNCFNFMXSA-N 1 0 377.260 2.847 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603408377 565903619 /nfs/dbraw/zinc/90/36/19/565903619.db2.gz NIBYUQHYMUQTLY-UHFFFAOYSA-N 1 0 385.262 2.808 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000603975470 565920760 /nfs/dbraw/zinc/92/07/60/565920760.db2.gz CHRZBWHUKZILKM-NEPJUHHUSA-N 1 0 375.878 2.789 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135167 566068296 /nfs/dbraw/zinc/06/82/96/566068296.db2.gz LWFGSBSDSAUNPN-YPMHNXCESA-N 1 0 375.878 2.742 20 5 GFBDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000736197625 599306942 /nfs/dbraw/zinc/30/69/42/599306942.db2.gz BMFOZOKKNMZKJT-AWEZNQCLSA-N 1 0 379.424 2.658 20 5 GFBDRO CC[NH+](CC)Cc1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821199152 607164495 /nfs/dbraw/zinc/16/44/95/607164495.db2.gz ZZKXVZDGJIVPCC-UHFFFAOYSA-N 1 0 382.428 2.624 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000826497645 608800147 /nfs/dbraw/zinc/80/01/47/608800147.db2.gz OJLPUCIKYBGNLD-UHFFFAOYSA-N 1 0 380.412 2.552 20 5 GFBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000819912537 660274507 /nfs/dbraw/zinc/27/45/07/660274507.db2.gz TVEXZXQJINYADK-TVQRCGJNSA-N 1 0 394.280 2.616 20 5 GFBDRO COCC(C)(C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000823457403 660372778 /nfs/dbraw/zinc/37/27/78/660372778.db2.gz YTQJLBCNOOPELO-UHFFFAOYSA-N 1 0 386.290 2.900 20 5 GFBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029964471 654581107 /nfs/dbraw/zinc/58/11/07/654581107.db2.gz FLQOIUNBRDTCIM-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000032441134 654603080 /nfs/dbraw/zinc/60/30/80/654603080.db2.gz DOKHJHRYFZCXOH-NEPJUHHUSA-N 1 0 375.878 2.789 20 5 GFBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@@H+]1C1CC1 ZINC000267908116 654951480 /nfs/dbraw/zinc/95/14/80/654951480.db2.gz BYMHPGWUOFEGAR-WPRPVWTQSA-N 1 0 386.221 2.851 20 5 GFBDRO CC[NH+](CC)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267915838 654951912 /nfs/dbraw/zinc/95/19/12/654951912.db2.gz HGQWMJXZASUUPX-UHFFFAOYSA-N 1 0 376.226 2.958 20 5 GFBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000270173322 655036150 /nfs/dbraw/zinc/03/61/50/655036150.db2.gz DEUBKXSIRPSLDB-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000108369141 655131742 /nfs/dbraw/zinc/13/17/42/655131742.db2.gz HHNXNOAFELPUFK-UHFFFAOYSA-N 1 0 399.289 2.758 20 5 GFBDRO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000273495761 655145170 /nfs/dbraw/zinc/14/51/70/655145170.db2.gz OFDNMGVXDSOMJG-UHFFFAOYSA-N 1 0 384.841 2.820 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000273525556 655146401 /nfs/dbraw/zinc/14/64/01/655146401.db2.gz PHBJGIBFXCEXBU-NSHDSACASA-N 1 0 375.878 2.599 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115585411 655239601 /nfs/dbraw/zinc/23/96/01/655239601.db2.gz RVIWRBLLRDPQOO-LBPRGKRZSA-N 1 0 375.878 2.519 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOCC(F)F)c1 ZINC000289425466 655348876 /nfs/dbraw/zinc/34/88/76/655348876.db2.gz DATYVZOXKPKMOL-UHFFFAOYSA-N 1 0 386.136 2.571 20 5 GFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000289437413 655349204 /nfs/dbraw/zinc/34/92/04/655349204.db2.gz FOZQNSGQLSAPKF-BXKDBHETSA-N 1 0 376.194 2.857 20 5 GFBDRO CC(C)C[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593202986 655511981 /nfs/dbraw/zinc/51/19/81/655511981.db2.gz BLIHMGPNUGQEOQ-UHFFFAOYSA-N 1 0 386.290 2.994 20 5 GFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731984521 655590390 /nfs/dbraw/zinc/59/03/90/655590390.db2.gz LIGMVPXJUOJHTG-LLVKDONJSA-N 1 0 377.413 2.735 20 5 GFBDRO Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000735487674 655647994 /nfs/dbraw/zinc/64/79/94/655647994.db2.gz UXJWXNYCALJEKQ-SECBINFHSA-N 1 0 376.467 2.951 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000740893719 655700412 /nfs/dbraw/zinc/70/04/12/655700412.db2.gz BSWAOAOUZUOSSU-DGCLKSJQSA-N 1 0 375.878 2.742 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000841161940 661240391 /nfs/dbraw/zinc/24/03/91/661240391.db2.gz QYDDMFRAILMCCD-OUAUKWLOSA-N 1 0 383.246 2.867 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000770427386 656319106 /nfs/dbraw/zinc/31/91/06/656319106.db2.gz NNCUTIQPCFCHBU-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000841455413 661267106 /nfs/dbraw/zinc/26/71/06/661267106.db2.gz QUGOXERYVAPXMS-UHFFFAOYSA-N 1 0 376.638 2.835 20 5 GFBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000775592230 656651859 /nfs/dbraw/zinc/65/18/59/656651859.db2.gz HDLGUEUAQCYXDC-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO C[NH+](C)[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccsc1 ZINC000778236350 656871085 /nfs/dbraw/zinc/87/10/85/656871085.db2.gz ZNBAJKFUUZVQRM-CYBMUJFWSA-N 1 0 377.451 2.694 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000779885233 656955537 /nfs/dbraw/zinc/95/55/37/656955537.db2.gz QUIGNKMUJVMFIE-CYBMUJFWSA-N 1 0 389.905 2.955 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719542 657324067 /nfs/dbraw/zinc/32/40/67/657324067.db2.gz CBGSBJMMZARICT-NEPJUHHUSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1Br ZINC000787897710 657618745 /nfs/dbraw/zinc/61/87/45/657618745.db2.gz AAKODAMVKQAVTO-ZDUSSCGKSA-N 1 0 384.274 2.824 20 5 GFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796113162 658893473 /nfs/dbraw/zinc/89/34/73/658893473.db2.gz HHETWOZOSVNEEH-JQWIXIFHSA-N 1 0 391.852 2.635 20 5 GFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[NH+]1CCC(C)CC1 ZINC000798166325 659077918 /nfs/dbraw/zinc/07/79/18/659077918.db2.gz VSBDPOAJPTZZDD-LLVKDONJSA-N 1 0 385.262 2.603 20 5 GFBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000798223084 659082775 /nfs/dbraw/zinc/08/27/75/659082775.db2.gz DZJVPLXZSZEOMX-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000806925990 659844706 /nfs/dbraw/zinc/84/47/06/659844706.db2.gz UZZRNDRKVKHVGB-UHFFFAOYSA-N 1 0 382.258 2.976 20 5 GFBDRO CC(C)[NH+](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000814980408 660099652 /nfs/dbraw/zinc/09/96/52/660099652.db2.gz MLIIYGFCDMXZJY-UHFFFAOYSA-N 1 0 381.857 2.784 20 5 GFBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000841982014 661318991 /nfs/dbraw/zinc/31/89/91/661318991.db2.gz MULOVODEEUZVDM-QWRGUYRKSA-N 1 0 397.273 2.695 20 5 GFBDRO C[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000856739424 662040336 /nfs/dbraw/zinc/04/03/36/662040336.db2.gz UMVANKGGQUMGTA-ZFWWWQNUSA-N 1 0 397.317 2.820 20 5 GFBDRO C[N@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CCC1 ZINC000863914805 662349907 /nfs/dbraw/zinc/34/99/07/662349907.db2.gz VZTITHSKCNYVNF-UHFFFAOYSA-N 1 0 382.258 2.726 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000865605564 662431993 /nfs/dbraw/zinc/43/19/93/662431993.db2.gz WWYALKWMKIMAAW-CYBMUJFWSA-N 1 0 382.258 2.500 20 5 GFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309049 662541108 /nfs/dbraw/zinc/54/11/08/662541108.db2.gz PZNWAIRIMJZNGJ-PSASIEDQSA-N 1 0 382.269 2.615 20 5 GFBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000872031941 662754395 /nfs/dbraw/zinc/75/43/95/662754395.db2.gz VTFWPBSAZYMWLY-GFCCVEGCSA-N 1 0 387.527 2.639 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874833453 662837850 /nfs/dbraw/zinc/83/78/50/662837850.db2.gz NBGVBAMHFFSCFH-UONOGXRCSA-N 1 0 382.258 2.974 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOc3cccc(Br)c3)C2)c1 ZINC000876958435 662868664 /nfs/dbraw/zinc/86/86/64/662868664.db2.gz CXHDUUNPNYJLIU-UHFFFAOYSA-N 1 0 381.230 2.926 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C(F)(F)F ZINC000877366309 662874716 /nfs/dbraw/zinc/87/47/16/662874716.db2.gz VEWZJUCTKQPVDZ-XVKPBYJWSA-N 1 0 396.163 2.567 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883330288 663053482 /nfs/dbraw/zinc/05/34/82/663053482.db2.gz BMLVODOPHFVCMT-LBPRGKRZSA-N 1 0 399.289 2.888 20 5 GFBDRO CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000889726744 663261415 /nfs/dbraw/zinc/26/14/15/663261415.db2.gz UVORQEHNRXDPJO-AWEZNQCLSA-N 1 0 397.273 2.735 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnc(Br)cn3)CC2)cc1 ZINC000895407918 663512548 /nfs/dbraw/zinc/51/25/48/663512548.db2.gz JCJVVHZFYJFVDX-UHFFFAOYSA-N 1 0 392.257 2.906 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000925761624 664674395 /nfs/dbraw/zinc/67/43/95/664674395.db2.gz DADHVIWSOURQQK-RBSFLKMASA-N 1 0 384.274 2.604 20 5 GFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930613062 664774442 /nfs/dbraw/zinc/77/44/42/664774442.db2.gz CVDXOBNSEIGXOZ-UHFFFAOYSA-N 1 0 386.290 2.682 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCCCCO)CC2)c1Br ZINC000931494736 664796381 /nfs/dbraw/zinc/79/63/81/664796381.db2.gz PNFWZAVBWVTVFJ-UHFFFAOYSA-N 1 0 386.290 2.638 20 5 GFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935941754 665000450 /nfs/dbraw/zinc/00/04/50/665000450.db2.gz SSCXCLBZCHXCFS-ZYHUDNBSSA-N 1 0 397.273 2.638 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811093 720107288 /nfs/dbraw/zinc/10/72/88/720107288.db2.gz LJIFZLVQFDMZSF-HRAATJIYSA-N 1 0 397.479 2.723 20 5 GFBDRO c1cnc2c(c1)ccc1ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742360 720654801 /nfs/dbraw/zinc/65/48/01/720654801.db2.gz MZZCZBPOSMLTFY-RBUKOAKNSA-N 1 0 398.470 2.915 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000152518511 551434738 /nfs/dbraw/zinc/43/47/38/551434738.db2.gz NXFXXMSRNIMYLY-UHFFFAOYSA-N 1 0 382.258 2.643 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173669180 552091097 /nfs/dbraw/zinc/09/10/97/552091097.db2.gz JZCYKBHHIZQLNO-GFCCVEGCSA-N 1 0 375.878 2.743 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000175333926 552119538 /nfs/dbraw/zinc/11/95/38/552119538.db2.gz ILPCWVRWFYSMBM-CYBMUJFWSA-N 1 0 383.495 2.845 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176727990 552145050 /nfs/dbraw/zinc/14/50/50/552145050.db2.gz CMPILVRBIXHKPV-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183290915 552304921 /nfs/dbraw/zinc/30/49/21/552304921.db2.gz AZXCBIAHLAOAIT-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cnn1C ZINC000183327377 552306133 /nfs/dbraw/zinc/30/61/33/552306133.db2.gz ILHVXIRORHHIIM-SECBINFHSA-N 1 0 396.245 2.689 20 5 GFBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186314226 552384883 /nfs/dbraw/zinc/38/48/83/552384883.db2.gz WJYMXWHTIQOLGF-UHFFFAOYSA-N 1 0 375.878 2.601 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188229769 552439636 /nfs/dbraw/zinc/43/96/36/552439636.db2.gz KKSFGEOQTCXNEJ-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO CC(C)(O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000189908676 552482582 /nfs/dbraw/zinc/48/25/82/552482582.db2.gz FKNHOUAYYSOVIT-UHFFFAOYSA-N 1 0 386.246 2.531 20 5 GFBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236655026 553070581 /nfs/dbraw/zinc/07/05/81/553070581.db2.gz VWGHRHYYNQPAHM-GFCCVEGCSA-N 1 0 383.392 2.608 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245677319 553094874 /nfs/dbraw/zinc/09/48/74/553094874.db2.gz IGXHHLZZXSNEAR-NHYWBVRUSA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000250083874 553147356 /nfs/dbraw/zinc/14/73/56/553147356.db2.gz CTJSFABXMGITEP-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261551808 553153513 /nfs/dbraw/zinc/15/35/13/553153513.db2.gz YIXVORKPQFJHGH-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000370337017 563240608 /nfs/dbraw/zinc/24/06/08/563240608.db2.gz DPNPDBYILMWLPB-CQSZACIVSA-N 1 0 382.258 2.597 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373066620 563327822 /nfs/dbraw/zinc/32/78/22/563327822.db2.gz TWRMWPWSZYQCKS-KWQFWETISA-N 1 0 388.649 2.835 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000374096041 563361188 /nfs/dbraw/zinc/36/11/88/563361188.db2.gz WBHRMWYOULKGAX-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO C[NH+]1CCC(CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301231681 563397211 /nfs/dbraw/zinc/39/72/11/563397211.db2.gz IASGPNJYRPBFPB-UHFFFAOYSA-N 1 0 377.413 2.735 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000301494857 563404976 /nfs/dbraw/zinc/40/49/76/563404976.db2.gz AFPOHUFASITRMI-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000425411355 563421771 /nfs/dbraw/zinc/42/17/71/563421771.db2.gz ARTCHVMXTVZGFH-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302677818 563427786 /nfs/dbraw/zinc/42/77/86/563427786.db2.gz NMNIVTDNPWFIGO-ZDUSSCGKSA-N 1 0 384.274 2.824 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@H]2C1 ZINC000376664252 563450212 /nfs/dbraw/zinc/45/02/12/563450212.db2.gz OSURHJAIKIVQTH-RNCFNFMXSA-N 1 0 386.221 2.663 20 5 GFBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000427765478 563474526 /nfs/dbraw/zinc/47/45/26/563474526.db2.gz VQWFEKAOHQLBHD-CYBMUJFWSA-N 1 0 381.479 2.728 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285097814 563503055 /nfs/dbraw/zinc/50/30/55/563503055.db2.gz KYGYKAOXJHNPKV-UHFFFAOYSA-N 1 0 393.868 2.881 20 5 GFBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292374470 563784102 /nfs/dbraw/zinc/78/41/02/563784102.db2.gz ZIAJXHASEGGZRW-GFCCVEGCSA-N 1 0 390.267 2.868 20 5 GFBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416557181 563847509 /nfs/dbraw/zinc/84/75/09/563847509.db2.gz GRSXDCBRVFAHOP-UHFFFAOYSA-N 1 0 383.495 2.550 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000368110539 563864111 /nfs/dbraw/zinc/86/41/11/563864111.db2.gz UGCVDHXQBRNKIE-CYBMUJFWSA-N 1 0 387.889 2.567 20 5 GFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1[NH+](C)C ZINC000542509315 564316619 /nfs/dbraw/zinc/31/66/19/564316619.db2.gz VSFBOGGYCSWZIR-MNOVXSKESA-N 1 0 375.292 2.543 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccc(Br)c1 ZINC000567678665 564382531 /nfs/dbraw/zinc/38/25/31/564382531.db2.gz YZYQPSMWCXURFC-AWEZNQCLSA-N 1 0 381.226 2.887 20 5 GFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000571316426 564545475 /nfs/dbraw/zinc/54/54/75/564545475.db2.gz ZMDDIYUYBIWURZ-INIZCTEOSA-N 1 0 395.253 2.929 20 5 GFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCO[C@H]21 ZINC000519079596 564569135 /nfs/dbraw/zinc/56/91/35/564569135.db2.gz PCTQICAEAOXHIT-VCTAVGKDSA-N 1 0 398.257 2.699 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000572703269 564606081 /nfs/dbraw/zinc/60/60/81/564606081.db2.gz JXXMLUNONZMCII-MVWJERBFSA-N 1 0 383.246 2.867 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000520778134 564613156 /nfs/dbraw/zinc/61/31/56/564613156.db2.gz ZNDUSOWAHUJZNC-CYBMUJFWSA-N 1 0 387.889 2.806 20 5 GFBDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000577303237 564733751 /nfs/dbraw/zinc/73/37/51/564733751.db2.gz LLJICJQOAYLBJT-NZVBXONLSA-N 1 0 386.905 2.553 20 5 GFBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580743603 564771913 /nfs/dbraw/zinc/77/19/13/564771913.db2.gz GAUACKVAJZYUHF-JQWIXIFHSA-N 1 0 390.221 2.962 20 5 GFBDRO C[C@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCCOC1 ZINC000554972042 564780168 /nfs/dbraw/zinc/78/01/68/564780168.db2.gz UHNFPLSROYANEQ-ZDUSSCGKSA-N 1 0 376.194 2.858 20 5 GFBDRO Cc1cc(Cl)ccc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000463740592 564888740 /nfs/dbraw/zinc/88/87/40/564888740.db2.gz DSHRZOBCHHILPL-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO C[N@H+](CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000536377853 565035938 /nfs/dbraw/zinc/03/59/38/565035938.db2.gz JTKLSIIHJFWGCR-UHFFFAOYSA-N 1 0 396.241 2.530 20 5 GFBDRO CCN1CCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309141 565160561 /nfs/dbraw/zinc/16/05/61/565160561.db2.gz DSVVCBYKLZEMEP-ZDUSSCGKSA-N 1 0 389.237 2.773 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570447 565282140 /nfs/dbraw/zinc/28/21/40/565282140.db2.gz KBONPVMPIPSXGP-CQSZACIVSA-N 1 0 382.258 2.691 20 5 GFBDRO CN(CC[NH+]1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593883476 565366347 /nfs/dbraw/zinc/36/63/47/565366347.db2.gz NJAPRTCTNFGRKH-UHFFFAOYSA-N 1 0 384.274 2.844 20 5 GFBDRO CC(C)C[NH2+]C1(CO)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596254680 565517128 /nfs/dbraw/zinc/51/71/28/565517128.db2.gz RMWQLEFURAZTRP-UHFFFAOYSA-N 1 0 386.290 2.934 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599413545 565677367 /nfs/dbraw/zinc/67/73/67/565677367.db2.gz ZTQSZEISDLVIRS-GFCCVEGCSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000600474519 565731620 /nfs/dbraw/zinc/73/16/20/565731620.db2.gz XSQOWCZZTVDIDB-GFCCVEGCSA-N 1 0 386.239 2.966 20 5 GFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600473112 565731871 /nfs/dbraw/zinc/73/18/71/565731871.db2.gz QTDAZRHRSYUVNC-LBPRGKRZSA-N 1 0 386.239 2.668 20 5 GFBDRO Cn1ncc(Br)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000601292107 565774162 /nfs/dbraw/zinc/77/41/62/565774162.db2.gz KNKFOOJSEYBSNK-NWDGAFQWSA-N 1 0 383.250 2.561 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601556173 565791239 /nfs/dbraw/zinc/79/12/39/565791239.db2.gz KCURXINSAFAJLI-DOMZBBRYSA-N 1 0 382.258 2.500 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](O)COc2ccccc2)cc1Br ZINC000602511914 565852893 /nfs/dbraw/zinc/85/28/93/565852893.db2.gz VNSNNYOJJVJCDF-JTQLQIEISA-N 1 0 387.255 2.948 20 5 GFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602554587 565855448 /nfs/dbraw/zinc/85/54/48/565855448.db2.gz BRGLBUIFYIOLDF-PSASIEDQSA-N 1 0 397.316 2.864 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000602584234 565856684 /nfs/dbraw/zinc/85/66/84/565856684.db2.gz YSSUCEINBWBBCB-TVQRCGJNSA-N 1 0 377.260 2.847 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000610576897 566089053 /nfs/dbraw/zinc/08/90/53/566089053.db2.gz DHHJYMKWPSDYRD-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611083700 566113838 /nfs/dbraw/zinc/11/38/38/566113838.db2.gz WSJUXUSWHQRTBJ-UHFFFAOYSA-N 1 0 383.495 2.845 20 5 GFBDRO CC(C)C[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000735835510 599263657 /nfs/dbraw/zinc/26/36/57/599263657.db2.gz JEGMWJQYKFPVCN-UHFFFAOYSA-N 1 0 396.455 2.855 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000822229598 606417248 /nfs/dbraw/zinc/41/72/48/606417248.db2.gz XWCRGCZDIFCUAN-CHWSQXEVSA-N 1 0 395.423 2.761 20 5 GFBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262482 606451413 /nfs/dbraw/zinc/45/14/13/606451413.db2.gz WVEHTPDDTIZOGW-GFCCVEGCSA-N 1 0 382.428 2.609 20 5 GFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820225582 607083684 /nfs/dbraw/zinc/08/36/84/607083684.db2.gz LZJRMNSGLGDVOL-CHWSQXEVSA-N 1 0 395.423 2.843 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1[N+](=O)[O-] ZINC000826283259 608308573 /nfs/dbraw/zinc/30/85/73/608308573.db2.gz NOLRUTRMNSQHOK-GFCCVEGCSA-N 1 0 378.396 2.582 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826499020 608726298 /nfs/dbraw/zinc/72/62/98/608726298.db2.gz RYQBVZNKCWOPBZ-UHFFFAOYSA-N 1 0 386.437 2.880 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000818429665 660225734 /nfs/dbraw/zinc/22/57/34/660225734.db2.gz APMQDNZOCNJXFG-GFCCVEGCSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000830021805 660630873 /nfs/dbraw/zinc/63/08/73/660630873.db2.gz JEZOMSOFLUJPIN-ZBFHGGJFSA-N 1 0 383.901 2.877 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000831200395 660703161 /nfs/dbraw/zinc/70/31/61/660703161.db2.gz CFULCQGQBVIWKJ-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000267494825 654931416 /nfs/dbraw/zinc/93/14/16/654931416.db2.gz XYDJMDDWMXVIEU-LBPRGKRZSA-N 1 0 382.258 2.915 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132972066 654950423 /nfs/dbraw/zinc/95/04/23/654950423.db2.gz WAYUIGXCBNNKJG-ZFWWWQNUSA-N 1 0 399.289 2.932 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000272571736 655116348 /nfs/dbraw/zinc/11/63/48/655116348.db2.gz FTNBBBMRBDPUHU-ZANVPECISA-N 1 0 386.221 2.663 20 5 GFBDRO CSc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000275081224 655215727 /nfs/dbraw/zinc/21/57/27/655215727.db2.gz FHJUHGIDHSLXPR-GDBMZVCRSA-N 1 0 381.523 2.969 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+](C2CC2)CC1 ZINC000176126904 655235897 /nfs/dbraw/zinc/23/58/97/655235897.db2.gz DRTFXSQJLDEQCS-UHFFFAOYSA-N 1 0 382.258 2.597 20 5 GFBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000177999691 655294676 /nfs/dbraw/zinc/29/46/76/655294676.db2.gz ASTOWRREKHNBEN-GFCCVEGCSA-N 1 0 383.495 2.902 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120226906 655331813 /nfs/dbraw/zinc/33/18/13/655331813.db2.gz XTDNQQPYRIQZGR-ZDUSSCGKSA-N 1 0 389.905 2.895 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)C1 ZINC000293616144 655360045 /nfs/dbraw/zinc/36/00/45/655360045.db2.gz DCVBQUDWCBEJSM-HNNXBMFYSA-N 1 0 386.221 2.664 20 5 GFBDRO C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000596177215 655514558 /nfs/dbraw/zinc/51/45/58/655514558.db2.gz CSHQKCNHYDRZFV-HIFRSBDPSA-N 1 0 397.317 2.820 20 5 GFBDRO C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000731978944 655590437 /nfs/dbraw/zinc/59/04/37/655590437.db2.gz DDRPEMVPMOEJDK-LLVKDONJSA-N 1 0 377.413 2.735 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743376883 655728290 /nfs/dbraw/zinc/72/82/90/655728290.db2.gz NHUCHYQHVBKUJP-AWEZNQCLSA-N 1 0 394.273 2.718 20 5 GFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000755008447 655878312 /nfs/dbraw/zinc/87/83/12/655878312.db2.gz MTJLFZDZAJGWLK-NSHDSACASA-N 1 0 386.221 2.805 20 5 GFBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC(C)C ZINC000759270329 655951602 /nfs/dbraw/zinc/95/16/02/655951602.db2.gz VJUZFEDSWHHINF-ZDUSSCGKSA-N 1 0 375.466 2.769 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000769525051 656279414 /nfs/dbraw/zinc/27/94/14/656279414.db2.gz ONBTWWJBNZWJCJ-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719545 657324133 /nfs/dbraw/zinc/32/41/33/657324133.db2.gz CBGSBJMMZARICT-RYUDHWBXSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000798160509 659076948 /nfs/dbraw/zinc/07/69/48/659076948.db2.gz KWHPOCMQEWPYOJ-QWRGUYRKSA-N 1 0 385.262 2.603 20 5 GFBDRO Cc1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1Br ZINC000804429554 659645680 /nfs/dbraw/zinc/64/56/80/659645680.db2.gz LWPFRKNPUCGTDM-GXTWGEPZSA-N 1 0 384.274 2.701 20 5 GFBDRO CC[NH+](CC)CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000806272678 659828125 /nfs/dbraw/zinc/82/81/25/659828125.db2.gz JLEBCYIRMWOBFW-UHFFFAOYSA-N 1 0 399.289 2.767 20 5 GFBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809830268 659946131 /nfs/dbraw/zinc/94/61/31/659946131.db2.gz QEZGTZUMVXUURC-UHFFFAOYSA-N 1 0 396.296 2.864 20 5 GFBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506408 660010882 /nfs/dbraw/zinc/01/08/82/660010882.db2.gz SJLRSMSWBDQRPB-GFCCVEGCSA-N 1 0 396.296 2.805 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000813614425 660058288 /nfs/dbraw/zinc/05/82/88/660058288.db2.gz JCAYXZBKHQRSSQ-QMMMGPOBSA-N 1 0 391.222 2.884 20 5 GFBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000817149847 660183906 /nfs/dbraw/zinc/18/39/06/660183906.db2.gz IJJJBNMLWADQRG-VIFPVBQESA-N 1 0 382.269 2.616 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842482919 661341591 /nfs/dbraw/zinc/34/15/91/661341591.db2.gz XJOOOXRECIQYPY-GXTWGEPZSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000846038729 661526357 /nfs/dbraw/zinc/52/63/57/661526357.db2.gz PVKPUJDNJHPLMS-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856727392 662038859 /nfs/dbraw/zinc/03/88/59/662038859.db2.gz LXQXYAJQVFLYQU-AWEZNQCLSA-N 1 0 399.289 2.712 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867813721 662579574 /nfs/dbraw/zinc/57/95/74/662579574.db2.gz YMCAGBCHKRJDIC-CYBMUJFWSA-N 1 0 384.274 2.843 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cn1 ZINC000877129003 662871454 /nfs/dbraw/zinc/87/14/54/662871454.db2.gz GNPLAANCJQKCHF-BFYDXBDKSA-N 1 0 380.539 2.928 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000887930774 663170735 /nfs/dbraw/zinc/17/07/35/663170735.db2.gz WLQUFJCGMSVENM-WBMJQRKESA-N 1 0 382.258 2.689 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725903 663260982 /nfs/dbraw/zinc/26/09/82/663260982.db2.gz RGLVTIYCOOPLJN-FZMZJTMJSA-N 1 0 399.289 2.839 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892584939 663377989 /nfs/dbraw/zinc/37/79/89/663377989.db2.gz RUIRSRXQCIHLJU-ZOZIMZAQSA-N 1 0 397.273 2.687 20 5 GFBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000895610998 663520807 /nfs/dbraw/zinc/52/08/07/663520807.db2.gz NZJKMTLTLNWVIY-CHWSQXEVSA-N 1 0 391.287 2.803 20 5 GFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913285276 664331257 /nfs/dbraw/zinc/33/12/57/664331257.db2.gz SAZVHKMXMMYJAP-IYBDPMFKSA-N 1 0 382.258 2.771 20 5 GFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000930450630 664770806 /nfs/dbraw/zinc/77/08/06/664770806.db2.gz IBRSLMLJUHZRKQ-UHFFFAOYSA-N 1 0 399.289 2.886 20 5 GFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572625 664829147 /nfs/dbraw/zinc/82/91/47/664829147.db2.gz QAZXPIHOEBNOTO-GZMMTYOYSA-N 1 0 377.203 2.949 20 5 GFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935975010 665002054 /nfs/dbraw/zinc/00/20/54/665002054.db2.gz DWJAYRPLLQBDFZ-GWCFXTLKSA-N 1 0 397.273 2.638 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)CC1 ZINC001164614207 719021422 /nfs/dbraw/zinc/02/14/22/719021422.db2.gz PPJPITQWJZYLGX-UHFFFAOYSA-N 1 0 376.457 2.542 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164618473 719068400 /nfs/dbraw/zinc/06/84/00/719068400.db2.gz AUVMREUGGDZNMZ-CRAIPNDOSA-N 1 0 383.408 2.999 20 5 GFBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697642 719897536 /nfs/dbraw/zinc/89/75/36/719897536.db2.gz MKTAACRIHYAMJQ-UHFFFAOYSA-N 1 0 389.481 2.505 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816407 720100783 /nfs/dbraw/zinc/10/07/83/720100783.db2.gz YQWIFOZWLJXTIN-KBXCAEBGSA-N 1 0 380.876 2.828 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164763229 721182709 /nfs/dbraw/zinc/18/27/09/721182709.db2.gz DUEDFZDBPZUBJK-MSOLQXFVSA-N 1 0 392.463 2.835 20 5 GFBDRO COc1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165026867 721812331 /nfs/dbraw/zinc/81/23/31/721812331.db2.gz RUUJNSBURIFOKC-XIRDDKMYSA-N 1 0 398.467 2.525 20 5 GFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982513 722124174 /nfs/dbraw/zinc/12/41/74/722124174.db2.gz WVKOIBBBNUAFOY-OALUTQOASA-N 1 0 397.479 2.729 20 5 GFBDRO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)O ZINC000289640415 563681625 /nfs/dbraw/zinc/68/16/25/563681625.db2.gz XPQQILJMKUOIBK-ZJUUUORDSA-N 1 0 378.210 2.696 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000146245833 551397476 /nfs/dbraw/zinc/39/74/76/551397476.db2.gz AMUJTDULLAKEHY-CYBMUJFWSA-N 1 0 387.889 2.806 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153003202 551444715 /nfs/dbraw/zinc/44/47/15/551444715.db2.gz OOKSFJCNZQZLQK-ABAIWWIYSA-N 1 0 384.274 2.698 20 5 GFBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000154625232 551479525 /nfs/dbraw/zinc/47/95/25/551479525.db2.gz LYASSYYYURZSEP-VIFPVBQESA-N 1 0 386.239 2.673 20 5 GFBDRO NC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000161982406 551601929 /nfs/dbraw/zinc/60/19/29/551601929.db2.gz WARATPBFKYNFGH-OAHLLOKOSA-N 1 0 378.226 2.716 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255769 552081045 /nfs/dbraw/zinc/08/10/45/552081045.db2.gz NLZCDYLQYYRBJR-YPMHNXCESA-N 1 0 375.878 2.599 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173665518 552090697 /nfs/dbraw/zinc/09/06/97/552090697.db2.gz OPESJXSWRRTPHM-ZDUSSCGKSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176672259 552143461 /nfs/dbraw/zinc/14/34/61/552143461.db2.gz NBWUMTGPGUIRTH-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO [NH3+]C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000237877186 553083544 /nfs/dbraw/zinc/08/35/44/553083544.db2.gz YIPMIWXZKSXFDE-HNNXBMFYSA-N 1 0 384.274 2.924 20 5 GFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246138372 553102876 /nfs/dbraw/zinc/10/28/76/553102876.db2.gz FAZOZTYVNJQZPU-FZMZJTMJSA-N 1 0 382.258 2.595 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248142516 553127619 /nfs/dbraw/zinc/12/76/19/553127619.db2.gz PUUPAJKRMHBPCW-CZUORRHYSA-N 1 0 396.285 2.843 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261611922 553154119 /nfs/dbraw/zinc/15/41/19/553154119.db2.gz DTQADZIRDQPPIX-HNNXBMFYSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C(NC1CC[NH2+]CC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000262507302 553171911 /nfs/dbraw/zinc/17/19/11/553171911.db2.gz IANXIEFTNUIQKY-UHFFFAOYSA-N 1 0 384.223 2.569 20 5 GFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295484754 563250461 /nfs/dbraw/zinc/25/04/61/563250461.db2.gz CJJCUEABFCDXDO-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371236703 563268847 /nfs/dbraw/zinc/26/88/47/563268847.db2.gz QONHFNABBKUDGU-XHDPSFHLSA-N 1 0 382.258 2.962 20 5 GFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371383125 563276070 /nfs/dbraw/zinc/27/60/70/563276070.db2.gz CFJFAAVRMWJBOQ-UHFFFAOYSA-N 1 0 399.289 2.691 20 5 GFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000280266238 563329934 /nfs/dbraw/zinc/32/99/34/563329934.db2.gz CNENYHITOXCQKQ-AAEUAGOBSA-N 1 0 396.241 2.843 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422557353 563343418 /nfs/dbraw/zinc/34/34/18/563343418.db2.gz VSWJGBXVZOVLDA-BBBLOLIVSA-N 1 0 396.296 2.896 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000422639134 563345451 /nfs/dbraw/zinc/34/54/51/563345451.db2.gz SEMDJQXZFFGFPV-IJLUTSLNSA-N 1 0 399.289 2.601 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591365 563408215 /nfs/dbraw/zinc/40/82/15/563408215.db2.gz QUKOYYRSGWOFFE-MNOVXSKESA-N 1 0 377.413 2.876 20 5 GFBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3Br)C2)CC1 ZINC000302666356 563427741 /nfs/dbraw/zinc/42/77/41/563427741.db2.gz JNEMKRYXLBRFSO-AWEZNQCLSA-N 1 0 397.317 2.882 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000284459344 563476213 /nfs/dbraw/zinc/47/62/13/563476213.db2.gz WLAFZJLAKUHSEZ-SNVBAGLBSA-N 1 0 381.230 2.928 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383383617 563517064 /nfs/dbraw/zinc/51/70/64/563517064.db2.gz ODOOOUVXXVKEAD-PHIMTYICSA-N 1 0 387.221 2.635 20 5 GFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000430715400 563548224 /nfs/dbraw/zinc/54/82/24/563548224.db2.gz ACEUDTMOXHWWKE-CQSZACIVSA-N 1 0 384.274 2.794 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332650317 563609712 /nfs/dbraw/zinc/60/97/12/563609712.db2.gz LDYTXTBHFRAURA-OAHLLOKOSA-N 1 0 396.285 2.987 20 5 GFBDRO C[C@@H](CO)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289588367 563680144 /nfs/dbraw/zinc/68/01/44/563680144.db2.gz TYGAYHGKYZQGJB-SNVBAGLBSA-N 1 0 378.210 2.698 20 5 GFBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289640404 563681552 /nfs/dbraw/zinc/68/15/52/563681552.db2.gz XPQQILJMKUOIBK-UWVGGRQHSA-N 1 0 378.210 2.696 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363647275 563729528 /nfs/dbraw/zinc/72/95/28/563729528.db2.gz UHGPQPBOSMKXST-HZUKXOBISA-N 1 0 394.269 2.914 20 5 GFBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000364124477 563743952 /nfs/dbraw/zinc/74/39/52/563743952.db2.gz ZFENWIXWCSBGJC-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000291733752 563756536 /nfs/dbraw/zinc/75/65/36/563756536.db2.gz CKVZYITYFCNZHX-UHFFFAOYSA-N 1 0 376.240 2.742 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCSC1 ZINC000293266273 563806182 /nfs/dbraw/zinc/80/61/82/563806182.db2.gz QHQNWZMAUNCUGM-CQSZACIVSA-N 1 0 377.388 2.781 20 5 GFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccncc2Br)CC1 ZINC000294019905 563830155 /nfs/dbraw/zinc/83/01/55/563830155.db2.gz KQNJFNZNORNYML-UHFFFAOYSA-N 1 0 391.225 2.715 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000449599529 564190621 /nfs/dbraw/zinc/19/06/21/564190621.db2.gz GUTRQDVEISBWOM-SMDDNHRTSA-N 1 0 390.221 2.840 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000539044866 564208886 /nfs/dbraw/zinc/20/88/86/564208886.db2.gz XONLDTHTXWOFNC-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)cc(Cl)c1 ZINC000451902741 564364608 /nfs/dbraw/zinc/36/46/08/564364608.db2.gz CQILDZONKUYXIA-MRXNPFEDSA-N 1 0 386.235 2.561 20 5 GFBDRO NC(=O)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478779021 564415665 /nfs/dbraw/zinc/41/56/65/564415665.db2.gz VWECPTMIZFBHBO-OAHLLOKOSA-N 1 0 378.226 2.716 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cc(Cl)cs2)c([N+](=O)[O-])c1 ZINC000569291142 564456821 /nfs/dbraw/zinc/45/68/21/564456821.db2.gz UQVADFNQCJTRAZ-UHFFFAOYSA-N 1 0 389.886 2.679 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000481217989 564505819 /nfs/dbraw/zinc/50/58/19/564505819.db2.gz HDJJPVKZHQEXLA-MRXNPFEDSA-N 1 0 387.889 2.571 20 5 GFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000547792908 564511336 /nfs/dbraw/zinc/51/13/36/564511336.db2.gz LWLPKFXEQSMFEQ-STQMWFEESA-N 1 0 387.303 2.768 20 5 GFBDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000570917453 564527206 /nfs/dbraw/zinc/52/72/06/564527206.db2.gz FCFKZUZQODJEEC-LBPRGKRZSA-N 1 0 383.495 2.865 20 5 GFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H]2CCO[C@H]21 ZINC000519079591 564569328 /nfs/dbraw/zinc/56/93/28/564569328.db2.gz PCTQICAEAOXHIT-COLVAYQJSA-N 1 0 398.257 2.699 20 5 GFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCn2cc(Br)cn2)n1 ZINC000490270672 564767346 /nfs/dbraw/zinc/76/73/46/564767346.db2.gz GIORYYGVHKWXSZ-UONOGXRCSA-N 1 0 397.277 2.914 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356506 564835361 /nfs/dbraw/zinc/83/53/61/564835361.db2.gz IAEWUKGDNUHUIW-JOYOIKCWSA-N 1 0 396.296 2.862 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000498871465 564911147 /nfs/dbraw/zinc/91/11/47/564911147.db2.gz CZPWOAUHJDGLJL-LLVKDONJSA-N 1 0 375.878 2.599 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000467068819 564954670 /nfs/dbraw/zinc/95/46/70/564954670.db2.gz MWPKTNKUMIYTHN-JSGCOSHPSA-N 1 0 385.511 2.602 20 5 GFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000467784203 564972740 /nfs/dbraw/zinc/97/27/40/564972740.db2.gz LFLQXXKSGAAUHD-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO C[NH+](C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cc1Br ZINC000561700940 565006430 /nfs/dbraw/zinc/00/64/30/565006430.db2.gz ILYQRPKFSLRZNN-UHFFFAOYSA-N 1 0 396.245 2.700 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592391051 565273482 /nfs/dbraw/zinc/27/34/82/565273482.db2.gz SAGKGQSJAGAOSM-QWHCGFSZSA-N 1 0 387.889 2.649 20 5 GFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000595041476 565444518 /nfs/dbraw/zinc/44/45/18/565444518.db2.gz LXJQHFOFGIMYLC-NSHDSACASA-N 1 0 396.241 2.878 20 5 GFBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000600472166 565731762 /nfs/dbraw/zinc/73/17/62/565731762.db2.gz MYWXXMRIWCXHKM-LBPRGKRZSA-N 1 0 386.239 2.668 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC/C=C\c2ccc(Br)cc2)c1 ZINC000600747628 565747797 /nfs/dbraw/zinc/74/77/97/565747797.db2.gz QEHSDQGSPKDTOQ-SWQCVOCJSA-N 1 0 395.257 2.608 20 5 GFBDRO CSc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538310 565854084 /nfs/dbraw/zinc/85/40/84/565854084.db2.gz CBDNRUCBYJCZCO-GHMZBOCLSA-N 1 0 377.388 2.916 20 5 GFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602554588 565855521 /nfs/dbraw/zinc/85/55/21/565855521.db2.gz BRGLBUIFYIOLDF-SCZZXKLOSA-N 1 0 397.316 2.864 20 5 GFBDRO CCNC(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602633608 565859302 /nfs/dbraw/zinc/85/93/02/565859302.db2.gz ZPJWXVNAFHSMRF-UHFFFAOYSA-N 1 0 376.276 2.815 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCO)c1ccccc1Br ZINC000602804921 565868803 /nfs/dbraw/zinc/86/88/03/565868803.db2.gz INVVIDGKFGGRBJ-CQSZACIVSA-N 1 0 383.246 2.576 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267831 598869725 /nfs/dbraw/zinc/86/97/25/598869725.db2.gz PKKRBUGVYPVJEI-HUUCEWRRSA-N 1 0 385.472 2.866 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000826497884 607734391 /nfs/dbraw/zinc/73/43/91/607734391.db2.gz XQCHQPUZNWIOOC-UHFFFAOYSA-N 1 0 385.472 2.867 20 5 GFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820227100 607011931 /nfs/dbraw/zinc/01/19/31/607011931.db2.gz YIRPBNOQBXFRIH-QWHCGFSZSA-N 1 0 395.423 2.843 20 5 GFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820226343 607085445 /nfs/dbraw/zinc/08/54/45/607085445.db2.gz UXUNWSASSRESTD-STQMWFEESA-N 1 0 395.423 2.843 20 5 GFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820226341 607085457 /nfs/dbraw/zinc/08/54/57/607085457.db2.gz UXUNWSASSRESTD-QWHCGFSZSA-N 1 0 395.423 2.843 20 5 GFBDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826176284 608553807 /nfs/dbraw/zinc/55/38/07/608553807.db2.gz IYWSRYXAZMIUQE-CYBMUJFWSA-N 1 0 398.423 2.822 20 5 GFBDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826283723 608553977 /nfs/dbraw/zinc/55/39/77/608553977.db2.gz YRQVXHYBLTUCSF-LLVKDONJSA-N 1 0 399.411 2.582 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827264640 660486904 /nfs/dbraw/zinc/48/69/04/660486904.db2.gz CXSMYEXHSFYCRW-NHYWBVRUSA-N 1 0 382.258 2.832 20 5 GFBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831000644 660689962 /nfs/dbraw/zinc/68/99/62/660689962.db2.gz BXVYISUZMUKBAK-UHFFFAOYSA-N 1 0 396.296 2.864 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000032441135 654603209 /nfs/dbraw/zinc/60/32/09/654603209.db2.gz DOKHJHRYFZCXOH-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940683 654953407 /nfs/dbraw/zinc/95/34/07/654953407.db2.gz RWHCHPGLQPFBNA-CABZTGNLSA-N 1 0 388.237 2.909 20 5 GFBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(Br)ccc3[N+](=O)[O-])C2)CC1 ZINC000268854064 654989110 /nfs/dbraw/zinc/98/91/10/654989110.db2.gz YSEMJDOBBJGYBU-AWEZNQCLSA-N 1 0 383.290 2.574 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151751932 655054039 /nfs/dbraw/zinc/05/40/39/655054039.db2.gz OLINMTXYNVRLQI-UHFFFAOYSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272533618 655115782 /nfs/dbraw/zinc/11/57/82/655115782.db2.gz RBJZRYWIPOYISU-XHDPSFHLSA-N 1 0 382.258 2.832 20 5 GFBDRO C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272652806 655118023 /nfs/dbraw/zinc/11/80/23/655118023.db2.gz AVKBGBHXNOYZMV-SNVBAGLBSA-N 1 0 375.397 2.653 20 5 GFBDRO CC(C)C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000110127311 655155393 /nfs/dbraw/zinc/15/53/93/655155393.db2.gz DCXKWNWRPHSTET-NSHDSACASA-N 1 0 379.429 2.979 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1Br ZINC000839497308 661087693 /nfs/dbraw/zinc/08/76/93/661087693.db2.gz HEOOPGHZERKJJS-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289245428 655344897 /nfs/dbraw/zinc/34/48/97/655344897.db2.gz WSHYEXPQQKUHLA-VIFPVBQESA-N 1 0 382.269 2.616 20 5 GFBDRO Cc1nccnc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000292913917 655357020 /nfs/dbraw/zinc/35/70/20/655357020.db2.gz FOPLROTZLQPRHL-UHFFFAOYSA-N 1 0 398.204 2.630 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574870043 655432514 /nfs/dbraw/zinc/43/25/14/655432514.db2.gz QTIVMTSZPAJGNM-INIZCTEOSA-N 1 0 382.258 2.502 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCC[NH+]1CCCCC1 ZINC000731919560 655589351 /nfs/dbraw/zinc/58/93/51/655589351.db2.gz YGTCMVDBZCSVAK-UHFFFAOYSA-N 1 0 377.413 2.879 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000740893721 655700408 /nfs/dbraw/zinc/70/04/08/655700408.db2.gz BSWAOAOUZUOSSU-YPMHNXCESA-N 1 0 375.878 2.742 20 5 GFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000755006833 655878344 /nfs/dbraw/zinc/87/83/44/655878344.db2.gz GSKKTPUUJHWBQS-ZDUSSCGKSA-N 1 0 386.221 2.663 20 5 GFBDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000755098792 655879485 /nfs/dbraw/zinc/87/94/85/655879485.db2.gz DCJPCQADFZIVDD-UHFFFAOYSA-N 1 0 381.479 2.946 20 5 GFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765499090 656144154 /nfs/dbraw/zinc/14/41/54/656144154.db2.gz GMDFTSPPIVNAFZ-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000765508510 656144468 /nfs/dbraw/zinc/14/44/68/656144468.db2.gz YQWWRAPSEBIUFN-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160741 661240024 /nfs/dbraw/zinc/24/00/24/661240024.db2.gz FWLPVLIRKNSQAK-KWQFWETISA-N 1 0 387.234 2.592 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000775596588 656653205 /nfs/dbraw/zinc/65/32/05/656653205.db2.gz VZXQVPBLJBCDEY-DGCLKSJQSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000784714909 657323431 /nfs/dbraw/zinc/32/34/31/657323431.db2.gz PJZSMSAPYJRKEQ-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421501 658095280 /nfs/dbraw/zinc/09/52/80/658095280.db2.gz NLBZHMPPBIYKPE-VIFPVBQESA-N 1 0 384.285 2.910 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284553 658910116 /nfs/dbraw/zinc/91/01/16/658910116.db2.gz LXCZSWMRTXOMTB-IRXDYDNUSA-N 1 0 395.253 2.888 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1Cl ZINC000798226432 659086032 /nfs/dbraw/zinc/08/60/32/659086032.db2.gz MAPYIWKVTXPYDI-LLVKDONJSA-N 1 0 391.852 2.636 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000805111314 659741309 /nfs/dbraw/zinc/74/13/09/659741309.db2.gz UITQVUYOGDRDKT-OCCSQVGLSA-N 1 0 387.889 2.804 20 5 GFBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829168 659945664 /nfs/dbraw/zinc/94/56/64/659945664.db2.gz WUQRSSYTCBFWDH-UHFFFAOYSA-N 1 0 384.285 2.862 20 5 GFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815002576 660100532 /nfs/dbraw/zinc/10/05/32/660100532.db2.gz HKSUKCRSEABWIU-UHFFFAOYSA-N 1 0 393.868 2.930 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815020264 660102489 /nfs/dbraw/zinc/10/24/89/660102489.db2.gz WAUZTDLLGJESGQ-GHMZBOCLSA-N 1 0 393.868 2.881 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815020265 660102586 /nfs/dbraw/zinc/10/25/86/660102586.db2.gz WAUZTDLLGJESGQ-MNOVXSKESA-N 1 0 393.868 2.881 20 5 GFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841954537 661318549 /nfs/dbraw/zinc/31/85/49/661318549.db2.gz SXKWIZMDHCFKKA-NSHDSACASA-N 1 0 399.289 2.798 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842482921 661341595 /nfs/dbraw/zinc/34/15/95/661341595.db2.gz XJOOOXRECIQYPY-OCCSQVGLSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000842891991 661358959 /nfs/dbraw/zinc/35/89/59/661358959.db2.gz BBUMVNRLGIFJOM-QWHCGFSZSA-N 1 0 387.889 2.567 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC12CCOCC2 ZINC000843125465 661370270 /nfs/dbraw/zinc/37/02/70/661370270.db2.gz XGEIIVONCNQVQT-ZDUSSCGKSA-N 1 0 384.274 2.545 20 5 GFBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000846233554 661539648 /nfs/dbraw/zinc/53/96/48/661539648.db2.gz OSHPQOOOFZHTRS-UHFFFAOYSA-N 1 0 383.857 2.755 20 5 GFBDRO C[C@H]1CC[N@H+](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000848053620 661622907 /nfs/dbraw/zinc/62/29/07/661622907.db2.gz SFZQWOFZJMZKEG-NSHDSACASA-N 1 0 382.258 2.584 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849411204 661718214 /nfs/dbraw/zinc/71/82/14/661718214.db2.gz AUCGWAXXDYZYHS-JTQLQIEISA-N 1 0 393.868 2.786 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855161112 661973891 /nfs/dbraw/zinc/97/38/91/661973891.db2.gz LBWLYULTJHSBQF-JTQLQIEISA-N 1 0 385.262 2.603 20 5 GFBDRO O=[N+]([O-])c1nc(Br)n(Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000865388718 662418281 /nfs/dbraw/zinc/41/82/81/662418281.db2.gz BISYSRPWSLLDNV-UHFFFAOYSA-N 1 0 380.246 2.983 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866193510 662463930 /nfs/dbraw/zinc/46/39/30/662463930.db2.gz MZERYMUWNCIHCL-ZDUSSCGKSA-N 1 0 384.274 2.700 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000873227194 662804125 /nfs/dbraw/zinc/80/41/25/662804125.db2.gz IAWXDEUBPNSYFZ-SCZZXKLOSA-N 1 0 382.180 2.926 20 5 GFBDRO CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000920045114 664521188 /nfs/dbraw/zinc/52/11/88/664521188.db2.gz RDAQIRJLAPSWIE-CYBMUJFWSA-N 1 0 375.516 2.691 20 5 GFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085662 664722274 /nfs/dbraw/zinc/72/22/74/664722274.db2.gz JLYBXCSTGLEUBD-ZFWWWQNUSA-N 1 0 387.864 2.626 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251824 664789303 /nfs/dbraw/zinc/78/93/03/664789303.db2.gz BOWOSHBOUNXWSM-IINYFYTJSA-N 1 0 383.246 2.834 20 5 GFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000935368879 664956962 /nfs/dbraw/zinc/95/69/62/664956962.db2.gz UZMHKUOHDBOCAL-ZBFHGGJFSA-N 1 0 381.523 2.969 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630155 719085562 /nfs/dbraw/zinc/08/55/62/719085562.db2.gz VQBIXOXRPNTEIJ-RDJZCZTQSA-N 1 0 388.855 2.982 20 5 GFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625853 719112886 /nfs/dbraw/zinc/11/28/86/719112886.db2.gz HEMJMSQGHWOHRG-VQIMIIECSA-N 1 0 396.447 2.877 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809061 720106286 /nfs/dbraw/zinc/10/62/86/720106286.db2.gz GNVVAOJTOOKDDH-HRAATJIYSA-N 1 0 397.479 2.723 20 5 GFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838468 720529278 /nfs/dbraw/zinc/52/92/78/720529278.db2.gz OADWRNZXEZSAKD-UWWQBHOKSA-N 1 0 388.447 2.703 20 5 GFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164736516 720579106 /nfs/dbraw/zinc/57/91/06/720579106.db2.gz MPSXYUJCASDRNT-UHFFFAOYSA-N 1 0 392.463 2.998 20 5 GFBDRO Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164836990 720723402 /nfs/dbraw/zinc/72/34/02/720723402.db2.gz CMDPACPRNSFPSP-GOSISDBHSA-N 1 0 397.479 2.953 20 5 GFBDRO Cc1cc(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164767252 721104779 /nfs/dbraw/zinc/10/47/79/721104779.db2.gz LZZFVVAORYWLOU-LSDHHAIUSA-N 1 0 390.875 2.643 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@@H]3C2)cn1 ZINC001164762114 721118791 /nfs/dbraw/zinc/11/87/91/721118791.db2.gz BYAMSYIXXAHPNX-SJORKVTESA-N 1 0 392.463 2.835 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768960 721119978 /nfs/dbraw/zinc/11/99/78/721119978.db2.gz OMJVTLHBDXJWJC-MSOLQXFVSA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024818 721809703 /nfs/dbraw/zinc/80/97/03/721809703.db2.gz KQBRNPXKYWAJFP-RYQLBKOJSA-N 1 0 382.468 2.825 20 5 GFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[NH+](C2CCCC2)CC1 ZINC001165029928 721853376 /nfs/dbraw/zinc/85/33/76/721853376.db2.gz QVBPIVUSXAZZKY-UHFFFAOYSA-N 1 0 382.848 2.885 20 5 GFBDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123281453 551304398 /nfs/dbraw/zinc/30/43/98/551304398.db2.gz RAOQRGXGXNIBDB-UHFFFAOYSA-N 1 0 383.495 2.895 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000124721601 551317077 /nfs/dbraw/zinc/31/70/77/551317077.db2.gz ULXNMLSPEFEGRV-NSHDSACASA-N 1 0 382.258 2.500 20 5 GFBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000127995122 551345695 /nfs/dbraw/zinc/34/56/95/551345695.db2.gz BGEJNHVQFXKARV-AWEZNQCLSA-N 1 0 387.267 2.820 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000130926788 551370623 /nfs/dbraw/zinc/37/06/23/551370623.db2.gz DNBKEJRILATLCK-GFCCVEGCSA-N 1 0 375.878 2.647 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000155117650 551491889 /nfs/dbraw/zinc/49/18/89/551491889.db2.gz UENOVDBZVOLMFR-GFCCVEGCSA-N 1 0 381.230 2.835 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000161968006 551600999 /nfs/dbraw/zinc/60/09/99/551600999.db2.gz WETZIZSEPQSUTE-HNNXBMFYSA-N 1 0 381.479 2.602 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000164096222 551624059 /nfs/dbraw/zinc/62/40/59/551624059.db2.gz VXFWDBWZQDGUPD-ABAIWWIYSA-N 1 0 382.258 2.914 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000181510264 552258707 /nfs/dbraw/zinc/25/87/07/552258707.db2.gz GWYGGCKBAJPQGL-ZDUSSCGKSA-N 1 0 383.495 2.902 20 5 GFBDRO C[NH+](C)CCn1ccc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000182501697 552286105 /nfs/dbraw/zinc/28/61/05/552286105.db2.gz MCBNBUTZNVQUDP-UHFFFAOYSA-N 1 0 383.861 2.737 20 5 GFBDRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185312901 552361087 /nfs/dbraw/zinc/36/10/87/552361087.db2.gz XDUNXHIFKDEBNJ-LBPRGKRZSA-N 1 0 388.262 2.635 20 5 GFBDRO C[N@H+](CCn1cc(Br)cc([N+](=O)[O-])c1=O)Cc1ccc(F)cc1 ZINC000185695275 552369148 /nfs/dbraw/zinc/36/91/48/552369148.db2.gz SZSLLAJJNGXGHQ-UHFFFAOYSA-N 1 0 384.205 2.790 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246178779 553104018 /nfs/dbraw/zinc/10/40/18/553104018.db2.gz NDQINJMZJKLJSC-CMPLNLGQSA-N 1 0 375.878 2.660 20 5 GFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000280264313 563329739 /nfs/dbraw/zinc/32/97/39/563329739.db2.gz CHKJJMXRNOHVOU-RISCZKNCSA-N 1 0 396.241 2.843 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2cnc3n2CCCC3)c1 ZINC000375104454 563390392 /nfs/dbraw/zinc/39/03/92/563390392.db2.gz HAZRVRUSMUPLMI-UHFFFAOYSA-N 1 0 384.845 2.568 20 5 GFBDRO O=C(N[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000378350361 563503969 /nfs/dbraw/zinc/50/39/69/563503969.db2.gz RRWQXWXKOOTYQC-ZDUSSCGKSA-N 1 0 382.258 2.848 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330551712 563510084 /nfs/dbraw/zinc/51/00/84/563510084.db2.gz SKJMRAACYTUBNX-QWHCGFSZSA-N 1 0 377.388 2.731 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085112 563735916 /nfs/dbraw/zinc/73/59/16/563735916.db2.gz ZIGZBAQYCZGUOA-NEPJUHHUSA-N 1 0 375.878 2.647 20 5 GFBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440367122 563739771 /nfs/dbraw/zinc/73/97/71/563739771.db2.gz UYQAHRYDLDLNBH-JTQLQIEISA-N 1 0 382.269 2.664 20 5 GFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416556061 563847912 /nfs/dbraw/zinc/84/79/12/563847912.db2.gz FWIISMADNBZQTP-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000447244700 563877881 /nfs/dbraw/zinc/87/78/81/563877881.db2.gz KNMYQDYJHSAWHP-UBHAPETDSA-N 1 0 394.280 2.650 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000539092762 564209764 /nfs/dbraw/zinc/20/97/64/564209764.db2.gz ADAVKTDQRXJKDY-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000564158828 564222608 /nfs/dbraw/zinc/22/26/08/564222608.db2.gz AZPLKJUWBSCHKP-UHFFFAOYSA-N 1 0 396.245 2.514 20 5 GFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000474785171 564289339 /nfs/dbraw/zinc/28/93/39/564289339.db2.gz WZQBZDZWUSKHEC-ZDUSSCGKSA-N 1 0 387.278 2.689 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000515757734 564486764 /nfs/dbraw/zinc/48/67/64/564486764.db2.gz SARGYVVTNGIHTL-LBPRGKRZSA-N 1 0 389.905 2.957 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000480896152 564494865 /nfs/dbraw/zinc/49/48/65/564494865.db2.gz JGBCVGXMUNZHOA-ZBEGNZNMSA-N 1 0 383.495 2.934 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000520663189 564608975 /nfs/dbraw/zinc/60/89/75/564608975.db2.gz HCXPRYPGNMAJSX-CYBMUJFWSA-N 1 0 389.237 2.725 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000487103178 564675945 /nfs/dbraw/zinc/67/59/45/564675945.db2.gz MFNFNAXAHYHGOJ-RYUDHWBXSA-N 1 0 375.878 2.708 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccsc2Br)c1 ZINC000575252990 564695563 /nfs/dbraw/zinc/69/55/63/564695563.db2.gz SCGUMHJHGMZWPM-GFCCVEGCSA-N 1 0 387.255 2.948 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000525894687 564712205 /nfs/dbraw/zinc/71/22/05/564712205.db2.gz UZGMQMKWHRRYRH-NSHDSACASA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000581423936 564801584 /nfs/dbraw/zinc/80/15/84/564801584.db2.gz ZZJBAWRRPLGVLF-NSHDSACASA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(CNCCC[NH+]2CCCC2)c1 ZINC000581696237 564814838 /nfs/dbraw/zinc/81/48/38/564814838.db2.gz ZPSBOBUMGVVNGM-UHFFFAOYSA-N 1 0 389.237 2.775 20 5 GFBDRO CN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000582072652 564829104 /nfs/dbraw/zinc/82/91/04/564829104.db2.gz CECWKGXSCUGIQA-AWEZNQCLSA-N 1 0 381.479 2.554 20 5 GFBDRO COC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000583528461 564895903 /nfs/dbraw/zinc/89/59/03/564895903.db2.gz VXGYEAGQGMCEBK-ZDUSSCGKSA-N 1 0 378.210 2.960 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000584052987 564918683 /nfs/dbraw/zinc/91/86/83/564918683.db2.gz POGDFKOIIZXSCP-OLZOCXBDSA-N 1 0 387.889 2.567 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000584081698 564920120 /nfs/dbraw/zinc/92/01/20/564920120.db2.gz HWMBXEXEZBOVBF-KGLIPLIRSA-N 1 0 388.205 2.857 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000467394562 564961970 /nfs/dbraw/zinc/96/19/70/564961970.db2.gz PPIIEXJWNXEZID-SCRDCRAPSA-N 1 0 387.527 2.991 20 5 GFBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501180504 564973165 /nfs/dbraw/zinc/97/31/65/564973165.db2.gz UGHKKPCSIMSVOK-UHFFFAOYSA-N 1 0 396.296 2.864 20 5 GFBDRO C[C@H]1CC[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562035084 565016583 /nfs/dbraw/zinc/01/65/83/565016583.db2.gz HCHCUXRBAQPXAU-NSHDSACASA-N 1 0 389.237 2.725 20 5 GFBDRO CS[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000614977802 565140539 /nfs/dbraw/zinc/14/05/39/565140539.db2.gz LFDUJVTUQNYRPO-OLZOCXBDSA-N 1 0 387.303 2.768 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000590167418 565179527 /nfs/dbraw/zinc/17/95/27/565179527.db2.gz FQZXXJJTPMQZPI-UHFFFAOYSA-N 1 0 375.878 2.793 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(OC(F)F)ccc2Br)c1 ZINC000592366001 565272914 /nfs/dbraw/zinc/27/29/14/565272914.db2.gz PXNWTGAAMZBZTQ-UHFFFAOYSA-N 1 0 391.172 2.945 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592391050 565273966 /nfs/dbraw/zinc/27/39/66/565273966.db2.gz SAGKGQSJAGAOSM-OLZOCXBDSA-N 1 0 387.889 2.649 20 5 GFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599976962 565709375 /nfs/dbraw/zinc/70/93/75/565709375.db2.gz FNHBGHQLGZZADA-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000601496761 565787473 /nfs/dbraw/zinc/78/74/73/565787473.db2.gz KOMADLYQLPOOHZ-UHFFFAOYSA-N 1 0 387.527 2.994 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290631 565837673 /nfs/dbraw/zinc/83/76/73/565837673.db2.gz IFLFNCWPWMYAQR-YPMHNXCESA-N 1 0 382.258 2.914 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000602541627 565854064 /nfs/dbraw/zinc/85/40/64/565854064.db2.gz QKDBRAGKCMMXMX-JOYOIKCWSA-N 1 0 377.388 2.916 20 5 GFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602716908 565864735 /nfs/dbraw/zinc/86/47/35/565864735.db2.gz UYFDPHBXUIQESY-LLVKDONJSA-N 1 0 392.319 2.961 20 5 GFBDRO CN(CCCC[NH+]1CCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000603423963 565904393 /nfs/dbraw/zinc/90/43/93/565904393.db2.gz SGFMGHUFXHVISH-UHFFFAOYSA-N 1 0 375.516 2.762 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000604019162 565921988 /nfs/dbraw/zinc/92/19/88/565921988.db2.gz KEPYOOKMXCLTCK-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609196204 566032037 /nfs/dbraw/zinc/03/20/37/566032037.db2.gz FWSWMLGHMPZWHQ-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCC3)CCOCC2)c(Br)c1 ZINC000610512468 566085079 /nfs/dbraw/zinc/08/50/79/566085079.db2.gz GHVQEIARUZQJSF-UHFFFAOYSA-N 1 0 385.262 2.809 20 5 GFBDRO CC[C@@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611336019 566126022 /nfs/dbraw/zinc/12/60/22/566126022.db2.gz OTAIPKKSSSWCBP-ZDUSSCGKSA-N 1 0 383.495 2.546 20 5 GFBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000736841948 598830200 /nfs/dbraw/zinc/83/02/00/598830200.db2.gz JZIWRGIXRFIOPX-UHFFFAOYSA-N 1 0 393.451 2.876 20 5 GFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821597918 599107274 /nfs/dbraw/zinc/10/72/74/599107274.db2.gz LGGIFHKHTPYVFJ-INIZCTEOSA-N 1 0 393.451 2.733 20 5 GFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738373724 598580723 /nfs/dbraw/zinc/58/07/23/598580723.db2.gz GEXVKIFBQVUAGU-AWEZNQCLSA-N 1 0 386.460 2.627 20 5 GFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000822060983 599392551 /nfs/dbraw/zinc/39/25/51/599392551.db2.gz KJFSZVOEDREJLI-CHWSQXEVSA-N 1 0 395.423 2.761 20 5 GFBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821619391 606045040 /nfs/dbraw/zinc/04/50/40/606045040.db2.gz VCNLXPGFARDZDA-QGZVFWFLSA-N 1 0 393.451 2.876 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821580998 606473782 /nfs/dbraw/zinc/47/37/82/606473782.db2.gz AQSTZKOOXZLYKD-NWDGAFQWSA-N 1 0 382.428 2.608 20 5 GFBDRO C[C@@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820664510 606716210 /nfs/dbraw/zinc/71/62/10/606716210.db2.gz AZUXKOPIKUBEFS-HIFRSBDPSA-N 1 0 394.439 2.635 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823639509 607001431 /nfs/dbraw/zinc/00/14/31/607001431.db2.gz BKFPIJQUUSPQRM-UHFFFAOYSA-N 1 0 379.424 2.534 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000817863592 660211027 /nfs/dbraw/zinc/21/10/27/660211027.db2.gz GKXHIRYPNPROIH-WCQGTBRESA-N 1 0 375.878 2.551 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431086 660226174 /nfs/dbraw/zinc/22/61/74/660226174.db2.gz XNLSSDWLHSLOPR-LBPRGKRZSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000822788230 660354346 /nfs/dbraw/zinc/35/43/46/660354346.db2.gz DFZPTOPVKPFZKN-GHMZBOCLSA-N 1 0 391.225 2.769 20 5 GFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825765221 660441187 /nfs/dbraw/zinc/44/11/87/660441187.db2.gz VFDMDNCNTZAJDM-PHIMTYICSA-N 1 0 385.262 2.745 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827142455 660480512 /nfs/dbraw/zinc/48/05/12/660480512.db2.gz GWESZNZZTZUFLZ-LBPRGKRZSA-N 1 0 399.289 2.850 20 5 GFBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)C2)CC1 ZINC000827353676 660490988 /nfs/dbraw/zinc/49/09/88/660490988.db2.gz HDILPEGHTLKCSS-LBPRGKRZSA-N 1 0 397.273 2.556 20 5 GFBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)[NH+]1CCCCC1 ZINC000828348474 660544436 /nfs/dbraw/zinc/54/44/36/660544436.db2.gz IFJDPFHENLYHJN-NSHDSACASA-N 1 0 385.262 2.747 20 5 GFBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000830021797 660630865 /nfs/dbraw/zinc/63/08/65/660630865.db2.gz JEZOMSOFLUJPIN-GDBMZVCRSA-N 1 0 383.901 2.877 20 5 GFBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000267627903 654938773 /nfs/dbraw/zinc/93/87/73/654938773.db2.gz MZPMCNJJFRPRBG-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267905538 654951244 /nfs/dbraw/zinc/95/12/44/654951244.db2.gz AODIURARDVTGEI-UHFFFAOYSA-N 1 0 388.237 2.910 20 5 GFBDRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132835 655017711 /nfs/dbraw/zinc/01/77/11/655017711.db2.gz FHNZSTMZKVMSSS-HNNXBMFYSA-N 1 0 397.317 2.569 20 5 GFBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000110561030 655156925 /nfs/dbraw/zinc/15/69/25/655156925.db2.gz WWSRNGUHVBNTLZ-GFCCVEGCSA-N 1 0 386.290 2.886 20 5 GFBDRO CC(C)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000176198197 655239547 /nfs/dbraw/zinc/23/95/47/655239547.db2.gz LUZJZENFNMLNFO-UHFFFAOYSA-N 1 0 384.274 2.700 20 5 GFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119662676 655310680 /nfs/dbraw/zinc/31/06/80/655310680.db2.gz VHCWDPWTLTUQDH-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237014779 655425372 /nfs/dbraw/zinc/42/53/72/655425372.db2.gz FWYCKXYFTJYUGH-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000578071369 655472051 /nfs/dbraw/zinc/47/20/51/655472051.db2.gz VIQLNXVXROILRX-HAQNSBGRSA-N 1 0 384.274 2.781 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000752234783 655841121 /nfs/dbraw/zinc/84/11/21/655841121.db2.gz IKSLNGZEBJATFB-GFCCVEGCSA-N 1 0 389.905 2.957 20 5 GFBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752250538 655841374 /nfs/dbraw/zinc/84/13/74/655841374.db2.gz IORMZPOBHQYVBE-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160737 661240194 /nfs/dbraw/zinc/24/01/94/661240194.db2.gz FWLPVLIRKNSQAK-GZMMTYOYSA-N 1 0 387.234 2.592 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000841504207 661277268 /nfs/dbraw/zinc/27/72/68/661277268.db2.gz DIYUWCLSMAPHIF-LBPRGKRZSA-N 1 0 381.841 2.635 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000790935741 658046911 /nfs/dbraw/zinc/04/69/11/658046911.db2.gz IPUGTTCRRIZCAY-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795911094 658870718 /nfs/dbraw/zinc/87/07/18/658870718.db2.gz BBVPEONIBRQMCT-JTQLQIEISA-N 1 0 393.868 2.738 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164285 659077451 /nfs/dbraw/zinc/07/74/51/659077451.db2.gz JFDJYLNKDMQHMW-MNOVXSKESA-N 1 0 385.262 2.603 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCCC1 ZINC000798225594 659084603 /nfs/dbraw/zinc/08/46/03/659084603.db2.gz CJMHFCXLPGGKSH-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809807185 659939994 /nfs/dbraw/zinc/93/99/94/659939994.db2.gz LNFNHVCOUILPMF-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823235 659943687 /nfs/dbraw/zinc/94/36/87/659943687.db2.gz JDWGZGFHRYPSCZ-JTQLQIEISA-N 1 0 379.841 2.540 20 5 GFBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000817149844 660183947 /nfs/dbraw/zinc/18/39/47/660183947.db2.gz IJJJBNMLWADQRG-SECBINFHSA-N 1 0 382.269 2.616 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843097396 661367755 /nfs/dbraw/zinc/36/77/55/661367755.db2.gz YVUJCZGFPLTWLO-HZPDHXFCSA-N 1 0 381.226 2.714 20 5 GFBDRO CC(C)C[N@H+](C)CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000845585080 661482131 /nfs/dbraw/zinc/48/21/31/661482131.db2.gz XMZOEJGQUPOQCE-UHFFFAOYSA-N 1 0 379.429 2.981 20 5 GFBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351710 662241763 /nfs/dbraw/zinc/24/17/63/662241763.db2.gz VINUWQGXVGEKCL-ZFWWWQNUSA-N 1 0 387.230 2.623 20 5 GFBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000866458045 662474563 /nfs/dbraw/zinc/47/45/63/662474563.db2.gz XMYFGBZMPQJKFB-PWSUYJOCSA-N 1 0 382.258 2.641 20 5 GFBDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000867744593 662571877 /nfs/dbraw/zinc/57/18/77/662571877.db2.gz ZLIFURVBNHKQEZ-UHFFFAOYSA-N 1 0 375.878 2.789 20 5 GFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839566 662838219 /nfs/dbraw/zinc/83/82/19/662838219.db2.gz WYYVOKJDUSIWGG-RYUDHWBXSA-N 1 0 386.221 2.805 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000881931853 663010189 /nfs/dbraw/zinc/01/01/89/663010189.db2.gz DGTLUSOEDPSHGP-RYUDHWBXSA-N 1 0 375.878 2.660 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000889715514 663258063 /nfs/dbraw/zinc/25/80/63/663258063.db2.gz FUCWSKHNQVEQIM-GXTWGEPZSA-N 1 0 397.273 2.593 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000889715516 663258151 /nfs/dbraw/zinc/25/81/51/663258151.db2.gz FUCWSKHNQVEQIM-OCCSQVGLSA-N 1 0 397.273 2.593 20 5 GFBDRO CC1(CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000892057863 663360736 /nfs/dbraw/zinc/36/07/36/663360736.db2.gz QTHCYJHTZMRSMF-UHFFFAOYSA-N 1 0 385.262 2.546 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892188736 663365182 /nfs/dbraw/zinc/36/51/82/663365182.db2.gz SKDOECIIAAYKQE-SCDSUCTJSA-N 1 0 397.273 2.545 20 5 GFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC000913281633 664331361 /nfs/dbraw/zinc/33/13/61/664331361.db2.gz BHDIEOPJAWPWBX-HOTGVXAUSA-N 1 0 382.258 2.771 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000929714695 664756433 /nfs/dbraw/zinc/75/64/33/664756433.db2.gz NKBKLURRNPZUNR-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO CC[NH+]1CCN(CC(C)(C)NCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000930663210 664775361 /nfs/dbraw/zinc/77/53/61/664775361.db2.gz GDMZVWFZXPVUHI-UHFFFAOYSA-N 1 0 399.333 2.863 20 5 GFBDRO Nc1c(Br)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000931190418 664787938 /nfs/dbraw/zinc/78/79/38/664787938.db2.gz SEWVVULNMXTFFS-GFCCVEGCSA-N 1 0 397.273 2.640 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813793 720146260 /nfs/dbraw/zinc/14/62/60/720146260.db2.gz QQEMUMGKFALODT-FOIQADDNSA-N 1 0 385.468 2.656 20 5 GFBDRO CCOc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)ccc1[N+](=O)[O-] ZINC001164811135 720147410 /nfs/dbraw/zinc/14/74/10/720147410.db2.gz LRDDBGFEXCXZIZ-OXJNMPFZSA-N 1 0 390.484 2.573 20 5 GFBDRO c1cnc2c(c1)ccc1ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742353 720652825 /nfs/dbraw/zinc/65/28/25/720652825.db2.gz MZZCZBPOSMLTFY-MOPGFXCFSA-N 1 0 398.470 2.915 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871466 721075394 /nfs/dbraw/zinc/07/53/94/721075394.db2.gz YYSXCMJTKVCCFO-HZPDHXFCSA-N 1 0 389.843 2.518 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001165021513 721822538 /nfs/dbraw/zinc/82/25/38/721822538.db2.gz FXDJYPBDFGTQCY-LSBZLQRGSA-N 1 0 382.468 2.704 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000126136701 551326293 /nfs/dbraw/zinc/32/62/93/551326293.db2.gz JBVJQUNGPGVHMV-OLZOCXBDSA-N 1 0 382.258 2.974 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000152886213 551441718 /nfs/dbraw/zinc/44/17/18/551441718.db2.gz FXMQHFLEQKZEMG-OAHLLOKOSA-N 1 0 396.285 2.987 20 5 GFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000157130228 551533824 /nfs/dbraw/zinc/53/38/24/551533824.db2.gz KPDPEXVPBXGBBZ-LBPRGKRZSA-N 1 0 386.239 2.800 20 5 GFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000172518812 551680793 /nfs/dbraw/zinc/68/07/93/551680793.db2.gz RLMWLIRXQXEKJA-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173850450 552094236 /nfs/dbraw/zinc/09/42/36/552094236.db2.gz ISHBPAISEJNVMR-CYBMUJFWSA-N 1 0 399.289 2.712 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180046748 552210705 /nfs/dbraw/zinc/21/07/05/552210705.db2.gz UAJPTFJLFCVBKU-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc2c(cc1Br)OCCO2 ZINC000180463237 552226557 /nfs/dbraw/zinc/22/65/57/552226557.db2.gz WCBHJIIWTGTSBE-SNVBAGLBSA-N 1 0 397.229 2.676 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183290932 552305167 /nfs/dbraw/zinc/30/51/67/552305167.db2.gz AZXCBIAHLAOAIT-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000370790091 563255737 /nfs/dbraw/zinc/25/57/37/563255737.db2.gz YUKIZXLOWDIEDJ-UHFFFAOYSA-N 1 0 382.258 2.643 20 5 GFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301373787 563401508 /nfs/dbraw/zinc/40/15/08/563401508.db2.gz USEYCFTZLWFPRI-OAHLLOKOSA-N 1 0 397.317 2.964 20 5 GFBDRO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301909114 563415370 /nfs/dbraw/zinc/41/53/70/563415370.db2.gz FJRBZTVTVGLCCS-CYBMUJFWSA-N 1 0 399.289 2.834 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000425418045 563421764 /nfs/dbraw/zinc/42/17/64/563421764.db2.gz ILHIJSSDYZOQQT-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@@H]2C1 ZINC000376664254 563450037 /nfs/dbraw/zinc/45/00/37/563450037.db2.gz OSURHJAIKIVQTH-TVQRCGJNSA-N 1 0 386.221 2.663 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225499 563498774 /nfs/dbraw/zinc/49/87/74/563498774.db2.gz LGWHUCBMTDWBHD-GXTWGEPZSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378234332 563499842 /nfs/dbraw/zinc/49/98/42/563499842.db2.gz VHTZGEXKZHXBBU-JSGCOSHPSA-N 1 0 387.889 2.709 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330551710 563510105 /nfs/dbraw/zinc/51/01/05/563510105.db2.gz SKJMRAACYTUBNX-CHWSQXEVSA-N 1 0 377.388 2.731 20 5 GFBDRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330551713 563510393 /nfs/dbraw/zinc/51/03/93/563510393.db2.gz SKJMRAACYTUBNX-STQMWFEESA-N 1 0 377.388 2.731 20 5 GFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330878658 563525444 /nfs/dbraw/zinc/52/54/44/563525444.db2.gz LNZSBMJTFYSBBB-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405209064 563538022 /nfs/dbraw/zinc/53/80/22/563538022.db2.gz BVSBOKPMXLXKJJ-YGRLFVJLSA-N 1 0 375.878 2.695 20 5 GFBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000331940303 563568322 /nfs/dbraw/zinc/56/83/22/563568322.db2.gz MVTXYOFZWCBLRP-HOTGVXAUSA-N 1 0 383.901 2.829 20 5 GFBDRO Cc1c(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332215255 563583978 /nfs/dbraw/zinc/58/39/78/563583978.db2.gz KMAKOCSSMIXWLD-MNOVXSKESA-N 1 0 383.246 2.739 20 5 GFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363927010 563737210 /nfs/dbraw/zinc/73/72/10/563737210.db2.gz ZVZSDSVPVXBZLY-HNNXBMFYSA-N 1 0 397.317 2.962 20 5 GFBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000365105330 563773730 /nfs/dbraw/zinc/77/37/30/563773730.db2.gz OURNCZYBDODTGT-HOCLYGCPSA-N 1 0 382.258 2.630 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365407262 563782366 /nfs/dbraw/zinc/78/23/66/563782366.db2.gz VSGSAHYUQPTREW-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000367258270 563838675 /nfs/dbraw/zinc/83/86/75/563838675.db2.gz BZESWJRDWXTEIB-UHFFFAOYSA-N 1 0 382.258 2.976 20 5 GFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCc2sccc21 ZINC000540174368 564240833 /nfs/dbraw/zinc/24/08/33/564240833.db2.gz SAJWEVYXKOXWIU-CYBMUJFWSA-N 1 0 381.479 2.602 20 5 GFBDRO CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000542768379 564325735 /nfs/dbraw/zinc/32/57/35/564325735.db2.gz CQZAKDXVKQFJKX-HOTGVXAUSA-N 1 0 381.523 2.725 20 5 GFBDRO CC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000451842979 564358707 /nfs/dbraw/zinc/35/87/07/564358707.db2.gz NFUPOPACZZLSJD-GFCCVEGCSA-N 1 0 399.289 2.712 20 5 GFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ncc(I)s2)c1 ZINC000512061510 564390845 /nfs/dbraw/zinc/39/08/45/564390845.db2.gz YJZFWTMDXSKWBD-UHFFFAOYSA-N 1 0 389.218 2.988 20 5 GFBDRO COCC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000570011291 564487514 /nfs/dbraw/zinc/48/75/14/564487514.db2.gz BHARNHVNWLAXHD-UHFFFAOYSA-N 1 0 376.194 2.858 20 5 GFBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000521404813 564626293 /nfs/dbraw/zinc/62/62/93/564626293.db2.gz PQQOSPQMHDTXLI-GFCCVEGCSA-N 1 0 396.241 2.576 20 5 GFBDRO COc1ccncc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000554368348 564758931 /nfs/dbraw/zinc/75/89/31/564758931.db2.gz IJBYXMQDDLNBPT-UHFFFAOYSA-N 1 0 380.198 2.620 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490026828 564760212 /nfs/dbraw/zinc/76/02/12/564760212.db2.gz AQZNJWYWYGWIFN-AWEZNQCLSA-N 1 0 394.280 2.666 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000554936131 564778038 /nfs/dbraw/zinc/77/80/38/564778038.db2.gz NYBVYVOBQAVOBJ-SMDDNHRTSA-N 1 0 390.221 2.792 20 5 GFBDRO Cc1cc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Br ZINC000558476227 564902644 /nfs/dbraw/zinc/90/26/44/564902644.db2.gz RRTZXHFPEDHPBA-AWEZNQCLSA-N 1 0 397.273 2.748 20 5 GFBDRO Cc1sc(S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467400986 564962607 /nfs/dbraw/zinc/96/26/07/564962607.db2.gz NCCCPLCJWPVUHP-GFCCVEGCSA-N 1 0 383.495 2.764 20 5 GFBDRO NC(=O)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000467990547 564976787 /nfs/dbraw/zinc/97/67/87/564976787.db2.gz NBMUQZXDRXEGBY-OAHLLOKOSA-N 1 0 378.226 2.716 20 5 GFBDRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536675869 565044329 /nfs/dbraw/zinc/04/43/29/565044329.db2.gz AYJTXDJCDHVUKQ-CQSZACIVSA-N 1 0 381.479 2.576 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(CO)CCCC2)c1 ZINC000589317851 565161222 /nfs/dbraw/zinc/16/12/22/565161222.db2.gz RLZMBPXXUFMHJI-UHFFFAOYSA-N 1 0 390.221 2.842 20 5 GFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000591304122 565222954 /nfs/dbraw/zinc/22/29/54/565222954.db2.gz OFDCLVFGCMUBID-QWRGUYRKSA-N 1 0 389.225 2.829 20 5 GFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000591723349 565237833 /nfs/dbraw/zinc/23/78/33/565237833.db2.gz WGPOYWCDTLURFE-SECBINFHSA-N 1 0 375.269 2.928 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000595413268 565474914 /nfs/dbraw/zinc/47/49/14/565474914.db2.gz YTRIFOUNEMRVKL-UHFFFAOYSA-N 1 0 387.889 2.649 20 5 GFBDRO CN(CC1C[NH+](C)C1)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598162907 565597021 /nfs/dbraw/zinc/59/70/21/565597021.db2.gz KTPIRQUEOOCYCQ-UHFFFAOYSA-N 1 0 377.388 2.726 20 5 GFBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000600472156 565731650 /nfs/dbraw/zinc/73/16/50/565731650.db2.gz MYWXXMRIWCXHKM-GFCCVEGCSA-N 1 0 386.239 2.668 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC/C=C/c2ccc(Br)cc2)c1 ZINC000600747625 565748163 /nfs/dbraw/zinc/74/81/63/565748163.db2.gz QEHSDQGSPKDTOQ-BCMPFUBYSA-N 1 0 395.257 2.608 20 5 GFBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000601497438 565787499 /nfs/dbraw/zinc/78/74/99/565787499.db2.gz WJEVUQJODFKNGV-UHFFFAOYSA-N 1 0 387.889 2.887 20 5 GFBDRO O=[N+]([O-])c1sc(CN2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000602470777 565849974 /nfs/dbraw/zinc/84/99/74/565849974.db2.gz GYCAVANZQNCWSK-UHFFFAOYSA-N 1 0 390.303 2.715 20 5 GFBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)N1CCOCC1 ZINC000602503208 565852498 /nfs/dbraw/zinc/85/24/98/565852498.db2.gz KBHVWLKMJVOBEY-UHFFFAOYSA-N 1 0 378.292 2.619 20 5 GFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCn3cc(Br)cn3)nc2c1 ZINC000602662529 565861008 /nfs/dbraw/zinc/86/10/08/565861008.db2.gz OPOAOSBAPRFHIV-UHFFFAOYSA-N 1 0 380.202 2.875 20 5 GFBDRO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602706542 565864235 /nfs/dbraw/zinc/86/42/35/565864235.db2.gz QAMKLIHSQZTLFM-UHFFFAOYSA-N 1 0 397.316 2.723 20 5 GFBDRO CC[N@@H+]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084705 566113923 /nfs/dbraw/zinc/11/39/23/566113923.db2.gz LNSDMAYFORAKRX-JTQLQIEISA-N 1 0 375.210 2.730 20 5 GFBDRO C[NH+](C)CCn1cc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000612040540 566149775 /nfs/dbraw/zinc/14/97/75/566149775.db2.gz OEGQIQOCRPJSKA-UHFFFAOYSA-N 1 0 383.861 2.737 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599347 599060808 /nfs/dbraw/zinc/06/08/08/599060808.db2.gz PNUITFFXVBXLAG-ZDUSSCGKSA-N 1 0 396.455 2.634 20 5 GFBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@@H]1C ZINC000820705983 599473282 /nfs/dbraw/zinc/47/32/82/599473282.db2.gz XFXDFRCGGDYSDH-STQMWFEESA-N 1 0 396.455 2.998 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821581000 606473669 /nfs/dbraw/zinc/47/36/69/606473669.db2.gz AQSTZKOOXZLYKD-VXGBXAGGSA-N 1 0 382.428 2.608 20 5 GFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000820921519 606621635 /nfs/dbraw/zinc/62/16/35/606621635.db2.gz ZAKYMTIDAQLQNQ-WBMJQRKESA-N 1 0 395.423 2.843 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823645133 606977660 /nfs/dbraw/zinc/97/76/60/606977660.db2.gz OPLCWEFSCLXPTE-UHFFFAOYSA-N 1 0 398.398 2.957 20 5 GFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000826499931 607943534 /nfs/dbraw/zinc/94/35/34/607943534.db2.gz FEIYVZSQDMZUBP-UHFFFAOYSA-N 1 0 380.408 2.602 20 5 GFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824414264 608279598 /nfs/dbraw/zinc/27/95/98/608279598.db2.gz YJDKMGNZDVPPBB-AWEZNQCLSA-N 1 0 382.424 2.765 20 5 GFBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000826211646 608463285 /nfs/dbraw/zinc/46/32/85/608463285.db2.gz NVAZMXLHWMPSDM-GFCCVEGCSA-N 1 0 384.396 2.513 20 5 GFBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000026853997 654559998 /nfs/dbraw/zinc/55/99/98/654559998.db2.gz KHSXUVAIJZFOAM-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267966140 654954450 /nfs/dbraw/zinc/95/44/50/654954450.db2.gz UPEXTUPWBZYYGG-UHFFFAOYSA-N 1 0 376.226 2.814 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CCC(C[NH+]3CCOCC3)CC2)ccc1Br ZINC000134086891 654982337 /nfs/dbraw/zinc/98/23/37/654982337.db2.gz OSNVFWUFSXEJIK-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000270217067 655037820 /nfs/dbraw/zinc/03/78/20/655037820.db2.gz MFJZLZPCNUAPBQ-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000101576304 655044887 /nfs/dbraw/zinc/04/48/87/655044887.db2.gz VDUCMIIKQHUKEF-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000173441027 655172440 /nfs/dbraw/zinc/17/24/40/655172440.db2.gz WNLRJYKOWBXVFO-CQSZACIVSA-N 1 0 378.479 2.978 20 5 GFBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000289328305 655346628 /nfs/dbraw/zinc/34/66/28/655346628.db2.gz HGSXGWUVWRCJQW-UHFFFAOYSA-N 1 0 396.296 2.757 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264670091 655468147 /nfs/dbraw/zinc/46/81/47/655468147.db2.gz WCDQQARRFXMRPV-QWHCGFSZSA-N 1 0 375.397 2.630 20 5 GFBDRO CC[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000731969591 655590316 /nfs/dbraw/zinc/59/03/16/655590316.db2.gz YOOWLLDJJXTIPT-LLVKDONJSA-N 1 0 377.413 2.877 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCC[NH+]1CCCC1 ZINC000746990008 655769322 /nfs/dbraw/zinc/76/93/22/655769322.db2.gz HARLTEGVLLHONH-UHFFFAOYSA-N 1 0 381.376 2.786 20 5 GFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985375 655877881 /nfs/dbraw/zinc/87/78/81/655877881.db2.gz FDSNEGROSZGULS-QWRGUYRKSA-N 1 0 386.221 2.853 20 5 GFBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCCOC1 ZINC000770673829 656326347 /nfs/dbraw/zinc/32/63/47/656326347.db2.gz JGGSLBALBLVLOD-OAHLLOKOSA-N 1 0 387.230 2.559 20 5 GFBDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000776002100 656701964 /nfs/dbraw/zinc/70/19/64/656701964.db2.gz SBZOHUCHWLUFBR-VCTAVGKDSA-N 1 0 386.905 2.553 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790935041 658046999 /nfs/dbraw/zinc/04/69/99/658046999.db2.gz DAUDZUVYGNDGAD-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795337628 658807939 /nfs/dbraw/zinc/80/79/39/658807939.db2.gz XCNVTIQOJSGGHN-CVEARBPZSA-N 1 0 399.216 2.853 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[NH+]1CCCCC1 ZINC000795927751 658873812 /nfs/dbraw/zinc/87/38/12/658873812.db2.gz YHYPQRVPHKWLGS-NSHDSACASA-N 1 0 393.868 2.930 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000798226956 659085763 /nfs/dbraw/zinc/08/57/63/659085763.db2.gz ZRXLPKVGHFEWHR-NSHDSACASA-N 1 0 391.852 2.636 20 5 GFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000804441346 659647243 /nfs/dbraw/zinc/64/72/43/659647243.db2.gz KETZJNLOJQHKHI-UHFFFAOYSA-N 1 0 385.262 2.700 20 5 GFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047027 660106885 /nfs/dbraw/zinc/10/68/85/660106885.db2.gz CSEAMQJFKIXQHI-JTQLQIEISA-N 1 0 381.857 2.786 20 5 GFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047028 660106984 /nfs/dbraw/zinc/10/69/84/660106984.db2.gz CSEAMQJFKIXQHI-SNVBAGLBSA-N 1 0 381.857 2.786 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000842047465 661320974 /nfs/dbraw/zinc/32/09/74/661320974.db2.gz OITINWGEIPDUHE-UHFFFAOYSA-N 1 0 389.206 2.780 20 5 GFBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000855414502 661991145 /nfs/dbraw/zinc/99/11/45/661991145.db2.gz FEZWHOURTHEBFZ-UHFFFAOYSA-N 1 0 377.272 2.515 20 5 GFBDRO CN1CC[NH+](C2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)CC1 ZINC000866212132 662464658 /nfs/dbraw/zinc/46/46/58/662464658.db2.gz CWAOXMHPDVHITR-UHFFFAOYSA-N 1 0 383.290 2.574 20 5 GFBDRO CN(CCCn1ccnc1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866743876 662493600 /nfs/dbraw/zinc/49/36/00/662493600.db2.gz DJUXBGIISGBSTQ-UHFFFAOYSA-N 1 0 381.230 2.645 20 5 GFBDRO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000866804429 662500072 /nfs/dbraw/zinc/50/00/72/662500072.db2.gz WCCHCFSJSAPAAV-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869233938 662636683 /nfs/dbraw/zinc/63/66/83/662636683.db2.gz QOPUGUGUKHAWPE-GFCCVEGCSA-N 1 0 384.274 2.889 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877356533 662874196 /nfs/dbraw/zinc/87/41/96/662874196.db2.gz SGEXOKJVJHMXCX-HTQZYQBOSA-N 1 0 396.163 2.567 20 5 GFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877355759 662874209 /nfs/dbraw/zinc/87/42/09/662874209.db2.gz BQZMRMGKIAZLLQ-SKDRFNHKSA-N 1 0 377.388 2.916 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000878709378 662903242 /nfs/dbraw/zinc/90/32/42/662903242.db2.gz LLXYCPLXOJPPTH-CQSZACIVSA-N 1 0 383.246 2.528 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000882058962 663015340 /nfs/dbraw/zinc/01/53/40/663015340.db2.gz FAIQGQPECUMQMW-LLVKDONJSA-N 1 0 388.237 2.655 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955246 663079549 /nfs/dbraw/zinc/07/95/49/663079549.db2.gz RNYNXVAMEXXDJH-UWVGGRQHSA-N 1 0 394.280 2.807 20 5 GFBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024821 721809548 /nfs/dbraw/zinc/80/95/48/721809548.db2.gz KQBRNPXKYWAJFP-SZMVWBNQSA-N 1 0 382.468 2.825 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000124403797 551314419 /nfs/dbraw/zinc/31/44/19/551314419.db2.gz KKWAVDSSWDFQTL-ABAIWWIYSA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151622513 551418233 /nfs/dbraw/zinc/41/82/33/551418233.db2.gz VKSDICAHNBROGP-MRVPVSSYSA-N 1 0 376.638 2.692 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158144144 551547461 /nfs/dbraw/zinc/54/74/61/551547461.db2.gz ZWZDRULBKVVKFJ-UHFFFAOYSA-N 1 0 386.235 2.558 20 5 GFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000158536940 551553482 /nfs/dbraw/zinc/55/34/82/551553482.db2.gz UDODTDQDWNSGGG-GFCCVEGCSA-N 1 0 387.889 2.886 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000164096102 551624206 /nfs/dbraw/zinc/62/42/06/551624206.db2.gz VXFWDBWZQDGUPD-IAQYHMDHSA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583061 552088860 /nfs/dbraw/zinc/08/88/60/552088860.db2.gz ATZDGYRAUDXKCX-YPMHNXCESA-N 1 0 383.246 2.608 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173633350 552089891 /nfs/dbraw/zinc/08/98/91/552089891.db2.gz PQMMNEUJLXPXOW-ZDUSSCGKSA-N 1 0 387.889 2.745 20 5 GFBDRO C[C@@H]1CN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC[NH2+]1 ZINC000188367827 552443451 /nfs/dbraw/zinc/44/34/51/552443451.db2.gz ZGOWAIZEUNUQBZ-SECBINFHSA-N 1 0 384.223 2.521 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000189139249 552463925 /nfs/dbraw/zinc/46/39/25/552463925.db2.gz DAYNTWGMDMUYDQ-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO C[NH2+]CC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237355803 553077263 /nfs/dbraw/zinc/07/72/63/553077263.db2.gz UGBKOWGBGGIBLK-UHFFFAOYSA-N 1 0 382.269 2.522 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3CCC[NH2+]CC3)cc2[N+](=O)[O-])n1 ZINC000237648571 553080089 /nfs/dbraw/zinc/08/00/89/553080089.db2.gz DPLOIZIUBOYAEO-UHFFFAOYSA-N 1 0 378.479 2.946 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248197920 553128177 /nfs/dbraw/zinc/12/81/77/553128177.db2.gz XRKBWHMZCOEPHM-IAQYHMDHSA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369540571 563216101 /nfs/dbraw/zinc/21/61/01/563216101.db2.gz ORXRPIVAFGFNCN-MLGOLLRUSA-N 1 0 381.479 2.628 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)c1 ZINC000369783783 563224907 /nfs/dbraw/zinc/22/49/07/563224907.db2.gz WSDLUPYBHXCDNN-JKSUJKDBSA-N 1 0 395.257 2.752 20 5 GFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000280201258 563326942 /nfs/dbraw/zinc/32/69/42/563326942.db2.gz DOWJUIXUUCNPTE-SECBINFHSA-N 1 0 376.226 2.957 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000373180473 563331465 /nfs/dbraw/zinc/33/14/65/563331465.db2.gz USGDAPCDLOTMPR-QMTHXVAHSA-N 1 0 383.246 2.915 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422557355 563343187 /nfs/dbraw/zinc/34/31/87/563343187.db2.gz VSWJGBXVZOVLDA-OPRDCNLKSA-N 1 0 396.296 2.896 20 5 GFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374315746 563368193 /nfs/dbraw/zinc/36/81/93/563368193.db2.gz ZJEVFWHUBRQCJW-CZUORRHYSA-N 1 0 397.317 2.820 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000375046281 563389050 /nfs/dbraw/zinc/38/90/50/563389050.db2.gz ISXZDTREEYJJJN-LBPRGKRZSA-N 1 0 382.258 2.976 20 5 GFBDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425451834 563423232 /nfs/dbraw/zinc/42/32/32/563423232.db2.gz YECNXIXIQHPEKA-TZMCWYRMSA-N 1 0 391.287 2.803 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377816215 563487164 /nfs/dbraw/zinc/48/71/64/563487164.db2.gz DOSHBAJGVADYKM-CQSZACIVSA-N 1 0 396.285 2.748 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000377887870 563490188 /nfs/dbraw/zinc/49/01/88/563490188.db2.gz HLKNTERWWUMBQA-JTQLQIEISA-N 1 0 394.280 2.760 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286496516 563562417 /nfs/dbraw/zinc/56/24/17/563562417.db2.gz MCMNCEONDFIDPJ-SJORKVTESA-N 1 0 395.253 2.888 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000332308917 563591805 /nfs/dbraw/zinc/59/18/05/563591805.db2.gz IHLJGGAMSGZZPX-LBPRGKRZSA-N 1 0 399.289 2.712 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000414589950 563747712 /nfs/dbraw/zinc/74/77/12/563747712.db2.gz XIICQOOGIRGVQG-MFKMUULPSA-N 1 0 390.221 2.840 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000440842043 563751865 /nfs/dbraw/zinc/75/18/65/563751865.db2.gz DDMPWZZZQKLOLR-UHFFFAOYSA-N 1 0 394.280 2.666 20 5 GFBDRO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000292002094 563768987 /nfs/dbraw/zinc/76/89/87/563768987.db2.gz SUFRKXKMTSQLJB-NSHDSACASA-N 1 0 389.283 2.515 20 5 GFBDRO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000292002090 563769027 /nfs/dbraw/zinc/76/90/27/563769027.db2.gz SUFRKXKMTSQLJB-LLVKDONJSA-N 1 0 389.283 2.515 20 5 GFBDRO Cc1c(NC(=O)N[C@H](CC[NH3+])C(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000415667650 563790521 /nfs/dbraw/zinc/79/05/21/563790521.db2.gz YJHXMZGZTIFADV-MRVPVSSYSA-N 1 0 381.177 2.770 20 5 GFBDRO CN1CCC[C@@]2(CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1=O ZINC000368923698 563882441 /nfs/dbraw/zinc/88/24/41/563882441.db2.gz BRZYZIYNWIOUIO-INIZCTEOSA-N 1 0 382.258 2.802 20 5 GFBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449439816 564186823 /nfs/dbraw/zinc/18/68/23/564186823.db2.gz AFBPCVIVAPFOAK-GFCCVEGCSA-N 1 0 383.495 2.741 20 5 GFBDRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000564435613 564233603 /nfs/dbraw/zinc/23/36/03/564233603.db2.gz JUKQMDSPWUDBSX-VXGBXAGGSA-N 1 0 384.274 2.841 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000483258681 564562106 /nfs/dbraw/zinc/56/21/06/564562106.db2.gz UNFVIUNOTLXPMG-CYBMUJFWSA-N 1 0 378.738 2.787 20 5 GFBDRO COCC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000491460533 564790339 /nfs/dbraw/zinc/79/03/39/564790339.db2.gz ZTMFFACQQJYWJM-UHFFFAOYSA-N 1 0 378.210 2.962 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462140003 564822839 /nfs/dbraw/zinc/82/28/39/564822839.db2.gz ZPGWVVGJNPFEKX-JTQLQIEISA-N 1 0 382.269 2.616 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462582269 564850362 /nfs/dbraw/zinc/85/03/62/564850362.db2.gz AVSOIABLOWAVIC-ZDUSSCGKSA-N 1 0 387.889 2.791 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1csc(Br)c1 ZINC000582569767 564852707 /nfs/dbraw/zinc/85/27/07/564852707.db2.gz VOEIMZJEBOJEJL-NSHDSACASA-N 1 0 387.255 2.948 20 5 GFBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562037954 565016133 /nfs/dbraw/zinc/01/61/33/565016133.db2.gz FTHDXAFGFNIFOA-ZIAGYGMSSA-N 1 0 390.221 2.840 20 5 GFBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591326225 565223372 /nfs/dbraw/zinc/22/33/72/565223372.db2.gz OGTPXWXZYKBZJA-UHFFFAOYSA-N 1 0 383.392 2.576 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000591845497 565241431 /nfs/dbraw/zinc/24/14/31/565241431.db2.gz TUCIJUBUPIIPGC-MRXNPFEDSA-N 1 0 397.317 2.569 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3Br)CCC2)c1 ZINC000593041301 565310325 /nfs/dbraw/zinc/31/03/25/565310325.db2.gz ZPIHFSADWQFOQM-ZDUSSCGKSA-N 1 0 395.257 2.584 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594790468 565421239 /nfs/dbraw/zinc/42/12/39/565421239.db2.gz LLNRWOYZLCFCPP-NSHDSACASA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793053 565421559 /nfs/dbraw/zinc/42/15/59/565421559.db2.gz TXAMVIMNLCCIMT-LBPRGKRZSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1c(Br)c(N2CCO[C@@H](CCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000596565391 565527597 /nfs/dbraw/zinc/52/75/97/565527597.db2.gz HLDQATOIQVWPGC-LBPRGKRZSA-N 1 0 387.278 2.608 20 5 GFBDRO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000597667575 565569698 /nfs/dbraw/zinc/56/96/98/565569698.db2.gz RQMFXADGEWALOJ-UHFFFAOYSA-N 1 0 382.258 2.915 20 5 GFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714814 565571947 /nfs/dbraw/zinc/57/19/47/565571947.db2.gz JUHMHZHSDVBQHN-QGZVFWFLSA-N 1 0 396.285 2.844 20 5 GFBDRO CCC1([NH+]2CCOCC2)CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000599182835 565660282 /nfs/dbraw/zinc/66/02/82/565660282.db2.gz DCFYXKAYXNEDKY-UHFFFAOYSA-N 1 0 399.289 2.834 20 5 GFBDRO COCCOC[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602480829 565851190 /nfs/dbraw/zinc/85/11/90/565851190.db2.gz CJDIRLLGBZOQBU-SNVBAGLBSA-N 1 0 379.276 2.904 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000602541622 565854058 /nfs/dbraw/zinc/85/40/58/565854058.db2.gz QKDBRAGKCMMXMX-BXKDBHETSA-N 1 0 377.388 2.916 20 5 GFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000609571049 566044759 /nfs/dbraw/zinc/04/47/59/566044759.db2.gz IXRAYBRUORDBEJ-ZDUSSCGKSA-N 1 0 383.290 2.938 20 5 GFBDRO CC(C)C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000735769055 599263544 /nfs/dbraw/zinc/26/35/44/599263544.db2.gz FQQWPPAORROGOV-CYBMUJFWSA-N 1 0 384.444 2.711 20 5 GFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000821180303 599277250 /nfs/dbraw/zinc/27/72/50/599277250.db2.gz BKYAUJUDXAWDNF-MRXNPFEDSA-N 1 0 382.428 2.665 20 5 GFBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819922560 599502406 /nfs/dbraw/zinc/50/24/06/599502406.db2.gz MBUDMEVSGAETTB-UHFFFAOYSA-N 1 0 396.455 2.634 20 5 GFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981687 599554647 /nfs/dbraw/zinc/55/46/47/599554647.db2.gz VPRRVNHRZNKCHX-ZDUSSCGKSA-N 1 0 396.455 3.000 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000823645575 599591770 /nfs/dbraw/zinc/59/17/70/599591770.db2.gz UDVVRHUYJMDOQW-UHFFFAOYSA-N 1 0 398.398 2.957 20 5 GFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOc2ccccc2-c2nn[nH]n2)C2CC2)c1 ZINC000823648000 607176978 /nfs/dbraw/zinc/17/69/78/607176978.db2.gz RPFUPMKTGAPQMG-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000817863899 660211029 /nfs/dbraw/zinc/21/10/29/660211029.db2.gz XFAZYEZNLPZWJK-TUAOUCFPSA-N 1 0 375.878 2.551 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431084 660226077 /nfs/dbraw/zinc/22/60/77/660226077.db2.gz XNLSSDWLHSLOPR-GFCCVEGCSA-N 1 0 387.889 2.709 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000827295943 660487889 /nfs/dbraw/zinc/48/78/89/660487889.db2.gz CISRDMPPWPPXRM-JOYOIKCWSA-N 1 0 386.221 2.663 20 5 GFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123050843 654751426 /nfs/dbraw/zinc/75/14/26/654751426.db2.gz BLHQCMDLDRABFW-SKDRFNHKSA-N 1 0 381.376 2.504 20 5 GFBDRO C[N@@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000055018047 654767767 /nfs/dbraw/zinc/76/77/67/654767767.db2.gz PFTVZJINFWZQSR-AWEZNQCLSA-N 1 0 380.246 2.500 20 5 GFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067717512 654943414 /nfs/dbraw/zinc/94/34/14/654943414.db2.gz BZJFELIKILTSAG-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@@H+]1C1CC1 ZINC000267908115 654951458 /nfs/dbraw/zinc/95/14/58/654951458.db2.gz BYMHPGWUOFEGAR-WCBMZHEXSA-N 1 0 386.221 2.851 20 5 GFBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267932760 654952681 /nfs/dbraw/zinc/95/26/81/654952681.db2.gz OSNIXOAKTBDPED-SECBINFHSA-N 1 0 386.221 2.711 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267928914 654952754 /nfs/dbraw/zinc/95/27/54/654952754.db2.gz NGJFUFHDBSIGGB-SNVBAGLBSA-N 1 0 388.237 2.910 20 5 GFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940699 654953338 /nfs/dbraw/zinc/95/33/38/654953338.db2.gz RXJLIQLSESAMMX-VXGBXAGGSA-N 1 0 386.221 2.853 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272533612 655115773 /nfs/dbraw/zinc/11/57/73/655115773.db2.gz RBJZRYWIPOYISU-ABAIWWIYSA-N 1 0 382.258 2.832 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000171841884 655154429 /nfs/dbraw/zinc/15/44/29/655154429.db2.gz VGAKKTWGZJFUQP-UHFFFAOYSA-N 1 0 397.831 2.602 20 5 GFBDRO Cn1cc(C[N@@H+]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cn1 ZINC000110572418 655156870 /nfs/dbraw/zinc/15/68/70/655156870.db2.gz BNJVMNAXSVYOBR-UHFFFAOYSA-N 1 0 394.273 2.803 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173924760 655186025 /nfs/dbraw/zinc/18/60/25/655186025.db2.gz AFFREIBDVWBIKN-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839573486 661093002 /nfs/dbraw/zinc/09/30/02/661093002.db2.gz BALYTFXNGYMDDO-LBPRGKRZSA-N 1 0 386.290 2.634 20 5 GFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000276300698 655270504 /nfs/dbraw/zinc/27/05/04/655270504.db2.gz YDACGTAIALDFLK-UHFFFAOYSA-N 1 0 376.226 2.910 20 5 GFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596124137 655513927 /nfs/dbraw/zinc/51/39/27/655513927.db2.gz UQTBNNRAKJCLBR-AWEZNQCLSA-N 1 0 397.317 2.964 20 5 GFBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000734850719 655635636 /nfs/dbraw/zinc/63/56/36/655635636.db2.gz NPFYQOFEWODRSO-CQSZACIVSA-N 1 0 377.894 2.893 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000769894100 656297972 /nfs/dbraw/zinc/29/79/72/656297972.db2.gz VLDCXOWQMGSWSB-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[N@H+]1CC=C(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000775701333 656667732 /nfs/dbraw/zinc/66/77/32/656667732.db2.gz RSVOOIKAPLGDCB-UHFFFAOYSA-N 1 0 379.360 2.562 20 5 GFBDRO C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000783724029 657254583 /nfs/dbraw/zinc/25/45/83/657254583.db2.gz SOJXDKVHDRRRDQ-LBPRGKRZSA-N 1 0 386.290 2.634 20 5 GFBDRO CC1CC[NH+](CCCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809806877 659939855 /nfs/dbraw/zinc/93/98/55/659939855.db2.gz GUFOMSPZXFUHRS-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000809964209 659953984 /nfs/dbraw/zinc/95/39/84/659953984.db2.gz GXXNPKJEECSCED-UHFFFAOYSA-N 1 0 392.193 2.631 20 5 GFBDRO NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809975519 659954210 /nfs/dbraw/zinc/95/42/10/659954210.db2.gz MFNOUSCUSOOQEK-CYBMUJFWSA-N 1 0 376.240 2.662 20 5 GFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045319 660106703 /nfs/dbraw/zinc/10/67/03/660106703.db2.gz QAVVBBGYOKIASK-WDEREUQCSA-N 1 0 391.852 2.635 20 5 GFBDRO C[NH+](C)C1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000817125764 660179920 /nfs/dbraw/zinc/17/99/20/660179920.db2.gz WHWPLOKPXJQSJG-UHFFFAOYSA-N 1 0 377.413 2.876 20 5 GFBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109256 661368517 /nfs/dbraw/zinc/36/85/17/661368517.db2.gz WYCLJSNPYFLVRV-DOMZBBRYSA-N 1 0 384.479 2.532 20 5 GFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000843151751 661371015 /nfs/dbraw/zinc/37/10/15/661371015.db2.gz AZUNMBDRQZNVOH-SNVBAGLBSA-N 1 0 388.165 2.905 20 5 GFBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000848474529 661652887 /nfs/dbraw/zinc/65/28/87/661652887.db2.gz FTEZQRHQCMFZCF-DTORHVGOSA-N 1 0 382.269 2.520 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849411871 661718454 /nfs/dbraw/zinc/71/84/54/661718454.db2.gz WQSTXTIEVKRTSH-JTQLQIEISA-N 1 0 393.868 2.786 20 5 GFBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC000851897559 661844852 /nfs/dbraw/zinc/84/48/52/661844852.db2.gz POGKXFKEAPLOOA-LLVKDONJSA-N 1 0 382.269 2.520 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000858138516 662100618 /nfs/dbraw/zinc/10/06/18/662100618.db2.gz CCPMGLYDBYBGIM-TZMCWYRMSA-N 1 0 376.356 2.859 20 5 GFBDRO C[C@H]1CC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[NH2+]1 ZINC000861690355 662255322 /nfs/dbraw/zinc/25/53/22/662255322.db2.gz NSUHEPZEVSHNQD-WDEREUQCSA-N 1 0 397.273 2.566 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000864907140 662390343 /nfs/dbraw/zinc/39/03/43/662390343.db2.gz VZSKQYAARIJBBL-OLZOCXBDSA-N 1 0 382.258 2.643 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044058 662458331 /nfs/dbraw/zinc/45/83/31/662458331.db2.gz OOAVYFJQQKAGDT-RISCZKNCSA-N 1 0 384.274 2.698 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775866 662497212 /nfs/dbraw/zinc/49/72/12/662497212.db2.gz BEWIBWPXILPBLF-HIFRSBDPSA-N 1 0 396.285 2.843 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(c1cc(F)cc(Br)c1[N+](=O)[O-])CCO2 ZINC000882518032 663030161 /nfs/dbraw/zinc/03/01/61/663030161.db2.gz ISDHDGPUSDFHGT-UHFFFAOYSA-N 1 0 388.237 2.797 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000883136191 663050296 /nfs/dbraw/zinc/05/02/96/663050296.db2.gz WWGKJYFGBUOEFR-NSHDSACASA-N 1 0 397.273 2.641 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955247 663079587 /nfs/dbraw/zinc/07/95/87/663079587.db2.gz RNYNXVAMEXXDJH-VHSXEESVSA-N 1 0 394.280 2.807 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892188738 663365163 /nfs/dbraw/zinc/36/51/63/663365163.db2.gz SKDOECIIAAYKQE-ZKYQVNSYSA-N 1 0 397.273 2.545 20 5 GFBDRO COCC[NH+]1CCC(NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000895888627 663532373 /nfs/dbraw/zinc/53/23/73/663532373.db2.gz MTNKQOOIPZBAHN-UHFFFAOYSA-N 1 0 394.230 2.881 20 5 GFBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896211630 663545283 /nfs/dbraw/zinc/54/52/83/663545283.db2.gz VWZAAUSDAQZKSH-VIFPVBQESA-N 1 0 394.230 2.881 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1F ZINC000915609596 664434923 /nfs/dbraw/zinc/43/49/23/664434923.db2.gz QQNGVJMSTYJOPX-AWEZNQCLSA-N 1 0 378.809 2.582 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932205488 664813424 /nfs/dbraw/zinc/81/34/24/664813424.db2.gz NGXNYHORNFGMEC-ZDUSSCGKSA-N 1 0 381.230 2.976 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630154 719086149 /nfs/dbraw/zinc/08/61/49/719086149.db2.gz VQBIXOXRPNTEIJ-NVXWUHKLSA-N 1 0 388.855 2.982 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807613 720080831 /nfs/dbraw/zinc/08/08/31/720080831.db2.gz GCWDAOLVXWHTEM-IERDGZPVSA-N 1 0 397.479 2.723 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815899 720135840 /nfs/dbraw/zinc/13/58/40/720135840.db2.gz XFALOKUGNOOKSL-QRWLVFNGSA-N 1 0 385.468 2.656 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164866850 721047580 /nfs/dbraw/zinc/04/75/80/721047580.db2.gz GHUXRKARBGJXFA-CVEARBPZSA-N 1 0 389.843 2.518 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767335 721108329 /nfs/dbraw/zinc/10/83/29/721108329.db2.gz MWWSSXLKWRUPDS-GJZGRUSLSA-N 1 0 390.875 2.643 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771878 721166683 /nfs/dbraw/zinc/16/66/83/721166683.db2.gz RQOOPGXPRLZDGS-MSOLQXFVSA-N 1 0 392.463 2.835 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001165025517 721815991 /nfs/dbraw/zinc/81/59/91/721815991.db2.gz NDFSJVCPKLZUTH-QGPMSJSTSA-N 1 0 382.468 2.704 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000063850910 551184232 /nfs/dbraw/zinc/18/42/32/551184232.db2.gz WLFFQWVXSAKAIM-LBPRGKRZSA-N 1 0 375.878 2.567 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Br ZINC000093664251 551195694 /nfs/dbraw/zinc/19/56/94/551195694.db2.gz CIHOMCUGHTYKEK-AWEZNQCLSA-N 1 0 384.274 2.511 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Br)c1 ZINC000132820839 551379479 /nfs/dbraw/zinc/37/94/79/551379479.db2.gz OHWASNMCNKYKIK-HUUCEWRRSA-N 1 0 399.289 2.932 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155267438 551495691 /nfs/dbraw/zinc/49/56/91/551495691.db2.gz XRKBWHMZCOEPHM-ABAIWWIYSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160181055 551576618 /nfs/dbraw/zinc/57/66/18/551576618.db2.gz ORWUSKLDPYSOKO-CYBMUJFWSA-N 1 0 387.889 2.887 20 5 GFBDRO NC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000161982243 551601484 /nfs/dbraw/zinc/60/14/84/551601484.db2.gz WARATPBFKYNFGH-HNNXBMFYSA-N 1 0 378.226 2.716 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000170786992 551639846 /nfs/dbraw/zinc/63/98/46/551639846.db2.gz DQPIVNPKTNOKSO-ZDUSSCGKSA-N 1 0 387.889 2.887 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3CO)o2)c(Br)c1 ZINC000187671819 552421511 /nfs/dbraw/zinc/42/15/11/552421511.db2.gz OTXJBKUWYIPWPH-RYUDHWBXSA-N 1 0 397.225 2.545 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261605141 553153803 /nfs/dbraw/zinc/15/38/03/553153803.db2.gz AENPLSCNJHLKMG-UHFFFAOYSA-N 1 0 382.258 2.963 20 5 GFBDRO [NH3+][C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000261904078 553162241 /nfs/dbraw/zinc/16/22/41/553162241.db2.gz FHSNHCPZNTWOOQ-GFCCVEGCSA-N 1 0 384.223 2.554 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369539350 563216693 /nfs/dbraw/zinc/21/66/93/563216693.db2.gz IAPKAXXKRVGUHP-LRDDRELGSA-N 1 0 381.479 2.628 20 5 GFBDRO O=[N+]([O-])c1cncc(I)c1N1CCC(n2ccnc2)CC1 ZINC000418843693 563227349 /nfs/dbraw/zinc/22/73/49/563227349.db2.gz IPXDSVKDJVXGIN-UHFFFAOYSA-N 1 0 399.192 2.632 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)cc1Cl ZINC000279500999 563298252 /nfs/dbraw/zinc/29/82/52/563298252.db2.gz QKCWOYOLSQNPIY-UHFFFAOYSA-N 1 0 394.280 2.807 20 5 GFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cn1 ZINC000280264310 563329810 /nfs/dbraw/zinc/32/98/10/563329810.db2.gz CHKJJMXRNOHVOU-FZMZJTMJSA-N 1 0 396.241 2.843 20 5 GFBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425212549 563411333 /nfs/dbraw/zinc/41/13/33/563411333.db2.gz FDLWGWAOTOUZQF-TVQRCGJNSA-N 1 0 394.280 2.616 20 5 GFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000325361183 563453706 /nfs/dbraw/zinc/45/37/06/563453706.db2.gz HPJIJKZLAPGHOW-UHFFFAOYSA-N 1 0 393.241 2.662 20 5 GFBDRO C[C@]12CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284667919 563485412 /nfs/dbraw/zinc/48/54/12/563485412.db2.gz GTCBJNYHYMRGGX-GLQYFDAESA-N 1 0 375.252 2.850 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225507 563498985 /nfs/dbraw/zinc/49/89/85/563498985.db2.gz LGWHUCBMTDWBHD-JSGCOSHPSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000408001171 563541043 /nfs/dbraw/zinc/54/10/43/563541043.db2.gz AVIAMLCLYAENOC-CMPLNLGQSA-N 1 0 382.258 2.974 20 5 GFBDRO COCC1=CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289455103 563674689 /nfs/dbraw/zinc/67/46/89/563674689.db2.gz FKQIHAKUTNNCKU-UHFFFAOYSA-N 1 0 388.205 2.978 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363517269 563725113 /nfs/dbraw/zinc/72/51/13/563725113.db2.gz ZOZXNLFHONBVRV-MNOVXSKESA-N 1 0 375.397 2.630 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000366940403 563825208 /nfs/dbraw/zinc/82/52/08/563825208.db2.gz HMUACJAKNNOSAE-ZDUSSCGKSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000367380088 563843107 /nfs/dbraw/zinc/84/31/07/563843107.db2.gz PJWOKDPVSCXQOQ-UHFFFAOYSA-N 1 0 377.198 2.650 20 5 GFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447931731 563891291 /nfs/dbraw/zinc/89/12/91/563891291.db2.gz OYFLFLCNIUGKEK-CQSZACIVSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc(Br)ccc1=O ZINC000449376244 564183505 /nfs/dbraw/zinc/18/35/05/564183505.db2.gz KUYWIFFAXCBUMW-LBPRGKRZSA-N 1 0 380.242 2.740 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000566473735 564328784 /nfs/dbraw/zinc/32/87/84/564328784.db2.gz COBAQWBRSZDBBD-CQSZACIVSA-N 1 0 381.479 2.520 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000544657008 564392821 /nfs/dbraw/zinc/39/28/21/564392821.db2.gz QECOVLHGFNMFFJ-LBPRGKRZSA-N 1 0 389.905 2.907 20 5 GFBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570042581 564488312 /nfs/dbraw/zinc/48/83/12/564488312.db2.gz CBQQTJXSMYUHKM-NSHDSACASA-N 1 0 383.392 2.608 20 5 GFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000547792906 564511309 /nfs/dbraw/zinc/51/13/09/564511309.db2.gz LWLPKFXEQSMFEQ-OLZOCXBDSA-N 1 0 387.303 2.768 20 5 GFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000517577490 564536841 /nfs/dbraw/zinc/53/68/41/564536841.db2.gz WVMZZEXJDRCCKL-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H]2CCO[C@@H]21 ZINC000519079595 564569497 /nfs/dbraw/zinc/56/94/97/564569497.db2.gz PCTQICAEAOXHIT-KMUNFCNLSA-N 1 0 398.257 2.699 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(Br)cc2)c1 ZINC000519596124 564582356 /nfs/dbraw/zinc/58/23/56/564582356.db2.gz JTODNFAPMMXWHQ-INIZCTEOSA-N 1 0 395.253 2.929 20 5 GFBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053487 564867874 /nfs/dbraw/zinc/86/78/74/564867874.db2.gz JHTXRSUKBVREDZ-BXKDBHETSA-N 1 0 381.230 2.996 20 5 GFBDRO Cc1c(NC(=O)NCCNc2cc[nH+]cc2)cc(Br)cc1[N+](=O)[O-] ZINC000500181242 564947521 /nfs/dbraw/zinc/94/75/21/564947521.db2.gz SSKFIDZQMNVQDN-UHFFFAOYSA-N 1 0 394.229 2.716 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047025 564954574 /nfs/dbraw/zinc/95/45/74/564954574.db2.gz AKYINXSNROLUNV-SDDRHHMPSA-N 1 0 375.516 2.609 20 5 GFBDRO C[NH+](C)CCOc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])ccn1 ZINC000536502009 565039469 /nfs/dbraw/zinc/03/94/69/565039469.db2.gz NANKGNWFAMPCFD-UHFFFAOYSA-N 1 0 396.245 2.700 20 5 GFBDRO CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000613916372 565085554 /nfs/dbraw/zinc/08/55/54/565085554.db2.gz AHZGZMLHTAHTAT-QWHCGFSZSA-N 1 0 387.303 2.768 20 5 GFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000599605313 565692912 /nfs/dbraw/zinc/69/29/12/565692912.db2.gz YKOANMKPIYUYFK-GASCZTMLSA-N 1 0 383.246 2.821 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601556175 565791142 /nfs/dbraw/zinc/79/11/42/565791142.db2.gz KCURXINSAFAJLI-IUODEOHRSA-N 1 0 382.258 2.500 20 5 GFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602693987 565863272 /nfs/dbraw/zinc/86/32/72/565863272.db2.gz PKGSGQREVATCFX-UHFFFAOYSA-N 1 0 397.316 2.723 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[NH+](C2CCC2)CC1 ZINC000609595561 566046931 /nfs/dbraw/zinc/04/69/31/566046931.db2.gz KXMLWTDBLVNVAU-UHFFFAOYSA-N 1 0 387.221 2.874 20 5 GFBDRO C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820726753 599109266 /nfs/dbraw/zinc/10/92/66/599109266.db2.gz BKUHPFZBCWECHN-HNNXBMFYSA-N 1 0 393.451 2.876 20 5 GFBDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000736200030 599307713 /nfs/dbraw/zinc/30/77/13/599307713.db2.gz QWVQXDXMRQSMEO-CQSZACIVSA-N 1 0 379.424 2.658 20 5 GFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698251 599544023 /nfs/dbraw/zinc/54/40/23/599544023.db2.gz RUBQDMCGGMLTTR-CHWSQXEVSA-N 1 0 396.455 2.998 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822228940 606417206 /nfs/dbraw/zinc/41/72/06/606417206.db2.gz IZODWYHBLBJOPW-QWHCGFSZSA-N 1 0 395.423 2.761 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823643810 606450608 /nfs/dbraw/zinc/45/06/08/606450608.db2.gz BSZAKYBHUXQDLJ-UHFFFAOYSA-N 1 0 382.428 2.611 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000823624538 606701978 /nfs/dbraw/zinc/70/19/78/606701978.db2.gz BYXMIRZOYZBHGZ-UHFFFAOYSA-N 1 0 394.439 2.942 20 5 GFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820225585 607083833 /nfs/dbraw/zinc/08/38/33/607083833.db2.gz LZJRMNSGLGDVOL-STQMWFEESA-N 1 0 395.423 2.843 20 5 GFBDRO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825141423 608552053 /nfs/dbraw/zinc/55/20/53/608552053.db2.gz OHYDZJAXJASWRS-AWEZNQCLSA-N 1 0 399.411 2.664 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262502 660252500 /nfs/dbraw/zinc/25/25/00/660252500.db2.gz NHFAFULOJRDGPF-GWCFXTLKSA-N 1 0 387.223 2.572 20 5 GFBDRO [NH3+]CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(F)(F)F ZINC000825207197 660415207 /nfs/dbraw/zinc/41/52/07/660415207.db2.gz GPQYFJJWGMLUMG-QMMMGPOBSA-N 1 0 388.115 2.506 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827264641 660486930 /nfs/dbraw/zinc/48/69/30/660486930.db2.gz CXSMYEXHSFYCRW-XHDPSFHLSA-N 1 0 382.258 2.832 20 5 GFBDRO CN1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC000831001291 660689856 /nfs/dbraw/zinc/68/98/56/660689856.db2.gz QTEQDBDDURQNLV-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000267214704 654917699 /nfs/dbraw/zinc/91/76/99/654917699.db2.gz IBLVICYDMJJEPA-NSHDSACASA-N 1 0 385.262 2.665 20 5 GFBDRO O=[N+]([O-])c1cncc(Br)c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000270863161 655058173 /nfs/dbraw/zinc/05/81/73/655058173.db2.gz ABDHPVRPEMJRQW-UHFFFAOYSA-N 1 0 385.262 2.809 20 5 GFBDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173410896 655170742 /nfs/dbraw/zinc/17/07/42/655170742.db2.gz NIFZHPDHNSJQNL-NSHDSACASA-N 1 0 377.413 2.510 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CC3CCOCC3)CC2)c1Br ZINC000839496909 661087496 /nfs/dbraw/zinc/08/74/96/661087496.db2.gz MKQGPZVGPMZHFU-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000116907578 655256615 /nfs/dbraw/zinc/25/66/15/655256615.db2.gz CYZORNIIZSFWQD-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000576377930 655446350 /nfs/dbraw/zinc/44/63/50/655446350.db2.gz BTTDMQOHUMMPOR-NSHDSACASA-N 1 0 375.267 2.565 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754987654 655877945 /nfs/dbraw/zinc/87/79/45/655877945.db2.gz LVBFEHDWKFSLKN-SNVBAGLBSA-N 1 0 388.237 2.957 20 5 GFBDRO Cc1cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1F ZINC000771773289 656361772 /nfs/dbraw/zinc/36/17/72/656361772.db2.gz LYFTWPDRCUGHAZ-UHFFFAOYSA-N 1 0 375.466 2.830 20 5 GFBDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000776002095 656701753 /nfs/dbraw/zinc/70/17/53/656701753.db2.gz SBZOHUCHWLUFBR-COLVAYQJSA-N 1 0 386.905 2.553 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795858355 658861294 /nfs/dbraw/zinc/86/12/94/658861294.db2.gz WLVGWCZIFQRKKG-GHMZBOCLSA-N 1 0 393.868 2.881 20 5 GFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000804834825 659688374 /nfs/dbraw/zinc/68/83/74/659688374.db2.gz QEILOEYPQNKTLH-NSHDSACASA-N 1 0 377.413 2.877 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000804854110 659689176 /nfs/dbraw/zinc/68/91/76/659689176.db2.gz CNQYGRXDFWGWEA-ZETCQYMHSA-N 1 0 377.195 2.636 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000810127694 659963728 /nfs/dbraw/zinc/96/37/28/659963728.db2.gz DTDYRAJNACSNBX-GFCCVEGCSA-N 1 0 388.161 2.616 20 5 GFBDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])O1 ZINC000811487262 660010278 /nfs/dbraw/zinc/01/02/78/660010278.db2.gz UTLIQZKRNKVDGU-WCQYABFASA-N 1 0 376.240 2.627 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000814993731 660100388 /nfs/dbraw/zinc/10/03/88/660100388.db2.gz GSFPGSLEXCHJFX-UHFFFAOYSA-N 1 0 391.852 2.540 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000815032501 660104651 /nfs/dbraw/zinc/10/46/51/660104651.db2.gz HQIVGVLZLZWHLO-NSHDSACASA-N 1 0 393.868 2.930 20 5 GFBDRO C[NH+](C)CC1(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000815034421 660105120 /nfs/dbraw/zinc/10/51/20/660105120.db2.gz OCYQVAQVVQRSBM-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000841982015 661318962 /nfs/dbraw/zinc/31/89/62/661318962.db2.gz MULOVODEEUZVDM-WDEREUQCSA-N 1 0 397.273 2.695 20 5 GFBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842000375 661319273 /nfs/dbraw/zinc/31/92/73/661319273.db2.gz WMMJPBDHJZYIIA-JTQLQIEISA-N 1 0 385.262 2.552 20 5 GFBDRO COC(=O)[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000846123434 661533762 /nfs/dbraw/zinc/53/37/62/661533762.db2.gz RSBJDHAOPWGQEV-NWDGAFQWSA-N 1 0 383.242 2.988 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000864907139 662390356 /nfs/dbraw/zinc/39/03/56/662390356.db2.gz VZSKQYAARIJBBL-CHWSQXEVSA-N 1 0 382.258 2.643 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865034111 662395821 /nfs/dbraw/zinc/39/58/21/662395821.db2.gz RZXNNJJDLAVHAE-CYBMUJFWSA-N 1 0 384.274 2.746 20 5 GFBDRO C[NH+]1CCC(NC(=O)CSc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000865358489 662415921 /nfs/dbraw/zinc/41/59/21/662415921.db2.gz CQIRGVIDYSRZBX-UHFFFAOYSA-N 1 0 388.287 2.660 20 5 GFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867310485 662541323 /nfs/dbraw/zinc/54/13/23/662541323.db2.gz ZPFIEJHGXWKIOA-KWQFWETISA-N 1 0 382.269 2.615 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@H]21 ZINC000867809184 662578211 /nfs/dbraw/zinc/57/82/11/662578211.db2.gz QCKJJZPWUAEWGZ-BXKDBHETSA-N 1 0 394.280 2.616 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725905 663261142 /nfs/dbraw/zinc/26/11/42/663261142.db2.gz RGLVTIYCOOPLJN-RISCZKNCSA-N 1 0 399.289 2.839 20 5 GFBDRO COC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000895858518 663530502 /nfs/dbraw/zinc/53/05/02/663530502.db2.gz KALIROBWBADZKH-JOYOIKCWSA-N 1 0 379.276 2.950 20 5 GFBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000898668660 663659122 /nfs/dbraw/zinc/65/91/22/663659122.db2.gz IPVJHVDIYGLHSS-UHFFFAOYSA-N 1 0 395.262 2.654 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000923263552 664626937 /nfs/dbraw/zinc/62/69/37/664626937.db2.gz HHMAAIYRKPPYCK-QWHCGFSZSA-N 1 0 382.258 2.595 20 5 GFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000930545362 664772799 /nfs/dbraw/zinc/77/27/99/664772799.db2.gz VLQHYMQDRZJDPR-BMIGLBTASA-N 1 0 383.246 2.773 20 5 GFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164712940 720104935 /nfs/dbraw/zinc/10/49/35/720104935.db2.gz YZWRVORRSKGRCC-GOSISDBHSA-N 1 0 397.479 2.892 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811096 720108209 /nfs/dbraw/zinc/10/82/09/720108209.db2.gz LJIFZLVQFDMZSF-KKSFZXQISA-N 1 0 397.479 2.723 20 5 GFBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164795456 721499513 /nfs/dbraw/zinc/49/95/13/721499513.db2.gz HOMXGKPABOTGRN-UHFFFAOYSA-N 1 0 382.468 2.848 20 5 GFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982511 722124517 /nfs/dbraw/zinc/12/45/17/722124517.db2.gz WVKOIBBBNUAFOY-MOPGFXCFSA-N 1 0 397.479 2.729 20 5 GFBDRO Cc1c(Br)cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000121177246 551228658 /nfs/dbraw/zinc/22/86/58/551228658.db2.gz NHAWLERZRKAONE-UHFFFAOYSA-N 1 0 396.245 2.676 20 5 GFBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000153223762 551448637 /nfs/dbraw/zinc/44/86/37/551448637.db2.gz HGARFMDCNBASDG-UHFFFAOYSA-N 1 0 375.516 2.789 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155067735 551490688 /nfs/dbraw/zinc/49/06/88/551490688.db2.gz QEEIQUDTSWYROK-LBPRGKRZSA-N 1 0 384.274 2.700 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160161934 551576178 /nfs/dbraw/zinc/57/61/78/551576178.db2.gz NBDGJKACWQWBTO-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000162101744 551603569 /nfs/dbraw/zinc/60/35/69/551603569.db2.gz CNJUAKFYUYGBIK-JTQLQIEISA-N 1 0 389.886 2.939 20 5 GFBDRO NC(=O)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000162317395 551606700 /nfs/dbraw/zinc/60/67/00/551606700.db2.gz OTJBFSFZKPDTFW-HNNXBMFYSA-N 1 0 378.226 2.716 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173359207 552084003 /nfs/dbraw/zinc/08/40/03/552084003.db2.gz PNXGKISDTJGOLA-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728709 552145126 /nfs/dbraw/zinc/14/51/26/552145126.db2.gz IRGQCJZJCXWQKG-GFCCVEGCSA-N 1 0 375.878 2.519 20 5 GFBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000176792616 552145883 /nfs/dbraw/zinc/14/58/83/552145883.db2.gz LVTHNOBIGVSERP-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180048526 552210960 /nfs/dbraw/zinc/21/09/60/552210960.db2.gz IBHYGELHLHYEPX-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000183292320 552305220 /nfs/dbraw/zinc/30/52/20/552305220.db2.gz AROXUUSZRFRHHU-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000246645430 553111188 /nfs/dbraw/zinc/11/11/88/553111188.db2.gz CNRSAWALEUYQRV-HZPDHXFCSA-N 1 0 395.257 2.752 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246741875 553112818 /nfs/dbraw/zinc/11/28/18/553112818.db2.gz PEJYZWKFPLTSQT-BBRMVZONSA-N 1 0 396.285 2.843 20 5 GFBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3I)n2)CCC1 ZINC000261646806 553154992 /nfs/dbraw/zinc/15/49/92/553154992.db2.gz DSNBZZNTAGVLNU-UHFFFAOYSA-N 1 0 386.149 2.587 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3CO)o2)c(Br)c1 ZINC000370398085 563242841 /nfs/dbraw/zinc/24/28/41/563242841.db2.gz OTXJBKUWYIPWPH-VXGBXAGGSA-N 1 0 397.225 2.545 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423974462 563366443 /nfs/dbraw/zinc/36/64/43/563366443.db2.gz NMLGDUBCQGMMQP-IAQYHMDHSA-N 1 0 382.258 2.962 20 5 GFBDRO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000375875739 563421905 /nfs/dbraw/zinc/42/19/05/563421905.db2.gz RTLNAYYSLJBHLJ-CYBMUJFWSA-N 1 0 394.269 2.584 20 5 GFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000375900972 563422491 /nfs/dbraw/zinc/42/24/91/563422491.db2.gz KLFRZZRZWGYGQY-WFASDCNBSA-N 1 0 396.285 2.985 20 5 GFBDRO CC[NH2+]CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000430565619 563545886 /nfs/dbraw/zinc/54/58/86/563545886.db2.gz AMRVQOZWBMKPBL-UHFFFAOYSA-N 1 0 399.289 2.617 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332103487 563576408 /nfs/dbraw/zinc/57/64/08/563576408.db2.gz ZAQAZGHVGLPCHJ-DOMZBBRYSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H](CO)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289588364 563680079 /nfs/dbraw/zinc/68/00/79/563680079.db2.gz TYGAYHGKYZQGJB-JTQLQIEISA-N 1 0 378.210 2.698 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363157930 563715817 /nfs/dbraw/zinc/71/58/17/563715817.db2.gz PTYPBGCGORQWHI-MAZHCROVSA-N 1 0 394.269 2.914 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085115 563736121 /nfs/dbraw/zinc/73/61/21/563736121.db2.gz ZIGZBAQYCZGUOA-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO O=C1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1 ZINC000414485574 563744249 /nfs/dbraw/zinc/74/42/49/563744249.db2.gz POGZZHIIXNUYTL-SNVBAGLBSA-N 1 0 394.225 2.843 20 5 GFBDRO CCC[N@@H+](Cc1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441278076 563756955 /nfs/dbraw/zinc/75/69/55/563756955.db2.gz QNQKJULSGZFKLB-HNNXBMFYSA-N 1 0 397.273 2.827 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415709974 563792836 /nfs/dbraw/zinc/79/28/36/563792836.db2.gz YTHLWHSRNSQUFR-JBLDHEPKSA-N 1 0 383.246 2.867 20 5 GFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000537941982 564178775 /nfs/dbraw/zinc/17/87/75/564178775.db2.gz KOJWOZWHAVQDPP-OAHLLOKOSA-N 1 0 381.479 2.602 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(CF)CCOCC2)c1 ZINC000449446685 564186715 /nfs/dbraw/zinc/18/67/15/564186715.db2.gz TVAGASXNXRHLPX-UHFFFAOYSA-N 1 0 394.184 2.808 20 5 GFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449621735 564193008 /nfs/dbraw/zinc/19/30/08/564193008.db2.gz AKHWDMBLSSFYAN-LBPRGKRZSA-N 1 0 376.194 2.714 20 5 GFBDRO CCC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)COC1 ZINC000449606238 564193034 /nfs/dbraw/zinc/19/30/34/564193034.db2.gz PYXTZBGZILEYGY-UHFFFAOYSA-N 1 0 376.194 2.716 20 5 GFBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761517 564248369 /nfs/dbraw/zinc/24/83/69/564248369.db2.gz YEHLEAYZJUVSQZ-ZDUSSCGKSA-N 1 0 378.210 2.696 20 5 GFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2C1 ZINC000565945462 564303248 /nfs/dbraw/zinc/30/32/48/564303248.db2.gz GUGVRFPPSRAGLG-LBPRGKRZSA-N 1 0 391.225 2.821 20 5 GFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@H]1[NH+](C)C ZINC000542509314 564316221 /nfs/dbraw/zinc/31/62/21/564316221.db2.gz VSFBOGGYCSWZIR-GHMZBOCLSA-N 1 0 375.292 2.543 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2cccnc2)c1 ZINC000566383641 564325627 /nfs/dbraw/zinc/32/56/27/564325627.db2.gz VZJPELVFDBNCFJ-UHFFFAOYSA-N 1 0 383.189 2.927 20 5 GFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615091 564426785 /nfs/dbraw/zinc/42/67/85/564426785.db2.gz YGVFOINHMPRPKN-QAVQXKDTSA-N 1 0 376.194 2.616 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[N@@H+](CCCCO)C2CC2)c1 ZINC000571889348 564571813 /nfs/dbraw/zinc/57/18/13/564571813.db2.gz OVTVTCLOLAVXFT-UHFFFAOYSA-N 1 0 390.221 2.936 20 5 GFBDRO CCC[NH+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000573290933 564631068 /nfs/dbraw/zinc/63/10/68/564631068.db2.gz WFWIRHLTUIXTQD-UHFFFAOYSA-N 1 0 389.237 2.727 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457092075 564646373 /nfs/dbraw/zinc/64/63/73/564646373.db2.gz NITFJMQPRJMBEB-CQSZACIVSA-N 1 0 384.274 2.841 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000487971517 564701168 /nfs/dbraw/zinc/70/11/68/564701168.db2.gz WETBXFGYQBBYIW-INIZCTEOSA-N 1 0 386.905 2.527 20 5 GFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000459634142 564753854 /nfs/dbraw/zinc/75/38/54/564753854.db2.gz OEUYHPZQKZQEMF-BJHJDKERSA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@@H](CC[NH+](C)C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562078369 565016921 /nfs/dbraw/zinc/01/69/21/565016921.db2.gz DBVATRSYJDUEMO-JTQLQIEISA-N 1 0 377.226 2.629 20 5 GFBDRO CCN1CCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309140 565160601 /nfs/dbraw/zinc/16/06/01/565160601.db2.gz DSVVCBYKLZEMEP-CYBMUJFWSA-N 1 0 389.237 2.773 20 5 GFBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1CC[NH3+] ZINC000593916203 565367415 /nfs/dbraw/zinc/36/74/15/565367415.db2.gz NHOMULCXXOARCK-IAQYHMDHSA-N 1 0 384.274 2.876 20 5 GFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599102886 565656637 /nfs/dbraw/zinc/65/66/37/565656637.db2.gz GSBYEHTVDPFFPT-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO C[NH+]1CCC(n2cc(Nc3ncc([N+](=O)[O-])cc3Br)cn2)CC1 ZINC000601227222 565772046 /nfs/dbraw/zinc/77/20/46/565772046.db2.gz SRFVSLDTWFKQMV-UHFFFAOYSA-N 1 0 381.234 2.959 20 5 GFBDRO CC(=O)N1CC[C@@H](CN(C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602491648 565850822 /nfs/dbraw/zinc/85/08/22/565850822.db2.gz CHXMDFXASCGPNG-JTQLQIEISA-N 1 0 376.276 2.719 20 5 GFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000602694073 565863701 /nfs/dbraw/zinc/86/37/01/565863701.db2.gz QELVPBPKJYXXFF-UHFFFAOYSA-N 1 0 380.388 2.918 20 5 GFBDRO Cc1cc(S(=O)(=O)N(C)CCCC[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC000603417334 565903947 /nfs/dbraw/zinc/90/39/47/565903947.db2.gz FLMDMUULVAJFOF-UHFFFAOYSA-N 1 0 375.516 2.851 20 5 GFBDRO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000820711412 599477737 /nfs/dbraw/zinc/47/77/37/599477737.db2.gz YQDFDYHFISFWHH-QWHCGFSZSA-N 1 0 396.455 2.855 20 5 GFBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225544 607013633 /nfs/dbraw/zinc/01/36/33/607013633.db2.gz KTZXWABDHWQIDP-QWHCGFSZSA-N 1 0 395.423 2.843 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826282980 608553994 /nfs/dbraw/zinc/55/39/94/608553994.db2.gz HLZJMWWXBKOELU-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO COCC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157642 608567127 /nfs/dbraw/zinc/56/71/27/608567127.db2.gz FKIXTCQCPDHVPF-GQCTYLIASA-N 1 0 394.435 2.937 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000817863726 660211008 /nfs/dbraw/zinc/21/10/08/660211008.db2.gz MTVLCPHMAUDZHP-JLLWLGSASA-N 1 0 375.878 2.551 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000819275349 660253329 /nfs/dbraw/zinc/25/33/29/660253329.db2.gz SPFVVCAZDWIVBN-OAHLLOKOSA-N 1 0 383.246 2.657 20 5 GFBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCOC1 ZINC000822861160 660356128 /nfs/dbraw/zinc/35/61/28/660356128.db2.gz ACDSFMFJTQXVCS-OAHLLOKOSA-N 1 0 387.230 2.559 20 5 GFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123051261 654751506 /nfs/dbraw/zinc/75/15/06/654751506.db2.gz BLHQCMDLDRABFW-BXKDBHETSA-N 1 0 381.376 2.504 20 5 GFBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000125040462 654787200 /nfs/dbraw/zinc/78/72/00/654787200.db2.gz WPAJGFMLHMNTPY-SECBINFHSA-N 1 0 384.223 2.521 20 5 GFBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000270880835 655058829 /nfs/dbraw/zinc/05/88/29/655058829.db2.gz DPTAFEITPCTXCD-NSHDSACASA-N 1 0 385.262 2.665 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272533614 655115864 /nfs/dbraw/zinc/11/58/64/655115864.db2.gz RBJZRYWIPOYISU-IAQYHMDHSA-N 1 0 382.258 2.832 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000173440930 655172422 /nfs/dbraw/zinc/17/24/22/655172422.db2.gz WNLRJYKOWBXVFO-AWEZNQCLSA-N 1 0 378.479 2.978 20 5 GFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000839610490 661095511 /nfs/dbraw/zinc/09/55/11/661095511.db2.gz OXDPBTUIRGUCFV-LSDHHAIUSA-N 1 0 384.274 2.652 20 5 GFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1Br ZINC000839609448 661095618 /nfs/dbraw/zinc/09/56/18/661095618.db2.gz AWSLDVSTZUKZNU-NFAWXSAZSA-N 1 0 385.258 2.719 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000120138079 655329028 /nfs/dbraw/zinc/32/90/28/655329028.db2.gz ADLNYABQBAHZFD-ZDUSSCGKSA-N 1 0 389.905 2.895 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522384 655352043 /nfs/dbraw/zinc/35/20/43/655352043.db2.gz WKJXTEFRBHZQKK-ZBFHGGJFSA-N 1 0 382.873 2.672 20 5 GFBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1O ZINC000449573585 655410510 /nfs/dbraw/zinc/41/05/10/655410510.db2.gz SQHZOIDYROMRTL-GDBMZVCRSA-N 1 0 397.225 2.809 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000246149485 655429281 /nfs/dbraw/zinc/42/92/81/655429281.db2.gz OVTQSXJXBSMVEW-GXTWGEPZSA-N 1 0 389.905 2.907 20 5 GFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027581 655456374 /nfs/dbraw/zinc/45/63/74/655456374.db2.gz RELFOPLCQNIINM-QWRGUYRKSA-N 1 0 389.237 2.724 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000265749032 655489716 /nfs/dbraw/zinc/48/97/16/655489716.db2.gz GZUICILQBBSFLS-UHFFFAOYSA-N 1 0 397.831 2.602 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000769905886 656299514 /nfs/dbraw/zinc/29/95/14/656299514.db2.gz JROVXIFKIKTVAP-NEPJUHHUSA-N 1 0 375.878 2.708 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000775596948 656653418 /nfs/dbraw/zinc/65/34/18/656653418.db2.gz YINGPTCBZLYZNU-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000788915420 657796942 /nfs/dbraw/zinc/79/69/42/657796942.db2.gz KSJUPDIHMROKGI-MLGOLLRUSA-N 1 0 383.495 2.934 20 5 GFBDRO CC[N@H+](C[C@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795430526 658817698 /nfs/dbraw/zinc/81/76/98/658817698.db2.gz ZMHUUJJNYOIDMP-LLVKDONJSA-N 1 0 398.257 2.629 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795773683 658848834 /nfs/dbraw/zinc/84/88/34/658848834.db2.gz CWKXPWUSPRMZCL-NSHDSACASA-N 1 0 393.868 2.930 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795858357 658861176 /nfs/dbraw/zinc/86/11/76/658861176.db2.gz WLVGWCZIFQRKKG-MNOVXSKESA-N 1 0 393.868 2.881 20 5 GFBDRO COc1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c([N+](=O)[O-])cc1O ZINC000800288983 659298801 /nfs/dbraw/zinc/29/88/01/659298801.db2.gz DNMDFLNMCSXLIK-HNNXBMFYSA-N 1 0 397.225 2.895 20 5 GFBDRO C[NH+](C)C1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC1 ZINC000803545807 659587429 /nfs/dbraw/zinc/58/74/29/659587429.db2.gz NJWUYSBBTQMVIE-UHFFFAOYSA-N 1 0 382.258 2.726 20 5 GFBDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545970 659588297 /nfs/dbraw/zinc/58/82/97/659588297.db2.gz UIZMXWGUNUSMOD-OAHLLOKOSA-N 1 0 382.258 2.726 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000809809783 659940545 /nfs/dbraw/zinc/94/05/45/659940545.db2.gz ZQYPKTRBVVREPJ-SNVBAGLBSA-N 1 0 396.296 2.912 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000809815355 659941319 /nfs/dbraw/zinc/94/13/19/659941319.db2.gz FBBYQQUNBCGEKP-JTQLQIEISA-N 1 0 394.280 2.664 20 5 GFBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@@H+]1C ZINC000809821103 659943115 /nfs/dbraw/zinc/94/31/15/659943115.db2.gz HWZSHNXAZJOJLK-RKDXNWHRSA-N 1 0 382.269 2.663 20 5 GFBDRO COc1c(Br)c([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000813614412 660058251 /nfs/dbraw/zinc/05/82/51/660058251.db2.gz JCAYXZBKHQRSSQ-MRVPVSSYSA-N 1 0 391.222 2.884 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000815013545 660101346 /nfs/dbraw/zinc/10/13/46/660101346.db2.gz BNLMJIMZVQGPKR-LLVKDONJSA-N 1 0 391.852 2.636 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815018715 660102136 /nfs/dbraw/zinc/10/21/36/660102136.db2.gz YZMMGZGHDNXFRE-GWCFXTLKSA-N 1 0 393.868 2.738 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815023276 660103220 /nfs/dbraw/zinc/10/32/20/660103220.db2.gz PKSIAJIRJUOBRN-JTQLQIEISA-N 1 0 379.841 2.540 20 5 GFBDRO CC(C)[NH2+]CCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841931469 661318000 /nfs/dbraw/zinc/31/80/00/661318000.db2.gz CJFYBWOFVMROHH-UHFFFAOYSA-N 1 0 399.289 2.813 20 5 GFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000843125429 661370292 /nfs/dbraw/zinc/37/02/92/661370292.db2.gz WFHKDGDAZUHMBY-ZBFHGGJFSA-N 1 0 384.274 2.686 20 5 GFBDRO C[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000856739423 662040354 /nfs/dbraw/zinc/04/03/54/662040354.db2.gz UMVANKGGQUMGTA-UKRRQHHQSA-N 1 0 397.317 2.820 20 5 GFBDRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863572839 662336882 /nfs/dbraw/zinc/33/68/82/662336882.db2.gz GSDCRUPHXFMAFZ-AWEZNQCLSA-N 1 0 382.214 2.584 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000865605565 662432018 /nfs/dbraw/zinc/43/20/18/662432018.db2.gz WWYALKWMKIMAAW-ZDUSSCGKSA-N 1 0 382.258 2.500 20 5 GFBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865631715 662432978 /nfs/dbraw/zinc/43/29/78/662432978.db2.gz HNJHHSANTLVYQX-CYBMUJFWSA-N 1 0 387.267 2.820 20 5 GFBDRO CC(C)CN(CC1CC[NH+](C)CC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000866261489 662466095 /nfs/dbraw/zinc/46/60/95/662466095.db2.gz VDMIWMKELZGSMA-UHFFFAOYSA-N 1 0 389.543 2.864 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775868 662497246 /nfs/dbraw/zinc/49/72/46/662497246.db2.gz BEWIBWPXILPBLF-ZFWWWQNUSA-N 1 0 396.285 2.843 20 5 GFBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867144210 662526812 /nfs/dbraw/zinc/52/68/12/662526812.db2.gz GPZLMGSEAIWELE-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO C[NH+]1CCC2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000868411039 662604444 /nfs/dbraw/zinc/60/44/44/662604444.db2.gz LYIKMCJZHBSFMQ-UHFFFAOYSA-N 1 0 396.285 2.844 20 5 GFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869416626 662645989 /nfs/dbraw/zinc/64/59/89/662645989.db2.gz QKOOMCDTFUBSKJ-ZDUSSCGKSA-N 1 0 384.274 2.748 20 5 GFBDRO C[NH+](C)C1(C)CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000871359961 662720437 /nfs/dbraw/zinc/72/04/37/662720437.db2.gz CCQDAZBWSSHUNL-UHFFFAOYSA-N 1 0 385.262 2.745 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874827150 662837676 /nfs/dbraw/zinc/83/76/76/662837676.db2.gz CAGRGZFEVJHSJZ-CABCVRRESA-N 1 0 382.258 2.974 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3cccc(Br)c3)C2)c1 ZINC000877504945 662877327 /nfs/dbraw/zinc/87/73/27/662877327.db2.gz VBQARDAPOXIENN-SSDMNJCBSA-N 1 0 381.230 2.581 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000881933067 663010285 /nfs/dbraw/zinc/01/02/85/663010285.db2.gz KFPOIHDFBHMHOZ-YPMHNXCESA-N 1 0 375.878 2.517 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000881933066 663010340 /nfs/dbraw/zinc/01/03/40/663010340.db2.gz KFPOIHDFBHMHOZ-WCQYABFASA-N 1 0 375.878 2.517 20 5 GFBDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295155 663052555 /nfs/dbraw/zinc/05/25/55/663052555.db2.gz YECNXIXIQHPEKA-OCCSQVGLSA-N 1 0 391.287 2.803 20 5 GFBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000883474356 663055778 /nfs/dbraw/zinc/05/57/78/663055778.db2.gz LUESHSQBIPYSIP-SNVBAGLBSA-N 1 0 382.269 2.664 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000884957227 663079647 /nfs/dbraw/zinc/07/96/47/663079647.db2.gz MWQPGJKNILWOLN-NXEZZACHSA-N 1 0 394.280 2.807 20 5 GFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000896447354 663558051 /nfs/dbraw/zinc/55/80/51/663558051.db2.gz UUZVWXMEUOKTKU-GFCCVEGCSA-N 1 0 399.289 2.888 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219746 663595110 /nfs/dbraw/zinc/59/51/10/663595110.db2.gz NOHJSBVHOURSGW-STQMWFEESA-N 1 0 388.237 2.532 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912871205 664306786 /nfs/dbraw/zinc/30/67/86/664306786.db2.gz MSMBEGKJOHNTBR-UHFFFAOYSA-N 1 0 382.258 2.597 20 5 GFBDRO CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931061821 664784381 /nfs/dbraw/zinc/78/43/81/664784381.db2.gz LPDQKZDHHRFQCP-ZDUSSCGKSA-N 1 0 385.262 2.545 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812359 720072802 /nfs/dbraw/zinc/07/28/02/720072802.db2.gz QTLXWXKJYGYBCP-KSSFIOAISA-N 1 0 380.876 2.828 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cnc2c1 ZINC001164722162 720351131 /nfs/dbraw/zinc/35/11/31/720351131.db2.gz FGXZCHJCBDSRQX-OALUTQOASA-N 1 0 376.420 2.786 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164766369 721108346 /nfs/dbraw/zinc/10/83/46/721108346.db2.gz KTTRFEMQVMUHEG-QZTJIDSGSA-N 1 0 392.463 2.835 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771880 721168597 /nfs/dbraw/zinc/16/85/97/721168597.db2.gz RQOOPGXPRLZDGS-ROUUACIJSA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1c(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971380 722124525 /nfs/dbraw/zinc/12/45/25/722124525.db2.gz BSDFNUYILYJDFA-QUCCMNQESA-N 1 0 397.479 2.729 20 5 GFBDRO Cc1c(Br)c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000542505503 532773642 /nfs/dbraw/zinc/77/36/42/532773642.db2.gz DNJAUQOZOKOHJH-GHMZBOCLSA-N 1 0 387.278 2.972 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000124721842 551317088 /nfs/dbraw/zinc/31/70/88/551317088.db2.gz ULXNMLSPEFEGRV-LLVKDONJSA-N 1 0 382.258 2.500 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000125986190 551325158 /nfs/dbraw/zinc/32/51/58/551325158.db2.gz JYDCRUOTFPDURW-BBRMVZONSA-N 1 0 395.257 2.752 20 5 GFBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000126141376 551326421 /nfs/dbraw/zinc/32/64/21/551326421.db2.gz WPAJGFMLHMNTPY-VIFPVBQESA-N 1 0 384.223 2.521 20 5 GFBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162690011 551611450 /nfs/dbraw/zinc/61/14/50/551611450.db2.gz ANZGQIPTZHFSSO-UHFFFAOYSA-N 1 0 383.392 2.624 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000173512346 552087257 /nfs/dbraw/zinc/08/72/57/552087257.db2.gz NFFUAINZUOSPCB-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176723675 552144582 /nfs/dbraw/zinc/14/45/82/552144582.db2.gz GFYMQCZNJLFPKH-VXGBXAGGSA-N 1 0 375.878 2.660 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728181 552145260 /nfs/dbraw/zinc/14/52/60/552145260.db2.gz DVBIUDWDYCSKQO-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000180939993 552240804 /nfs/dbraw/zinc/24/08/04/552240804.db2.gz IMFFPZRTLALYCI-LBPRGKRZSA-N 1 0 383.495 2.902 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000181509907 552258796 /nfs/dbraw/zinc/25/87/96/552258796.db2.gz MJAFZYWNLCTEPH-ZDUSSCGKSA-N 1 0 383.495 2.902 20 5 GFBDRO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1Br ZINC000182064082 552274294 /nfs/dbraw/zinc/27/42/94/552274294.db2.gz ADWWLYNMHBSTAQ-LLVKDONJSA-N 1 0 396.241 2.878 20 5 GFBDRO CC[C@]1(CO)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000189635646 552476338 /nfs/dbraw/zinc/47/63/38/552476338.db2.gz QERYRRFADQMFIB-OAHLLOKOSA-N 1 0 386.246 2.533 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000194378948 553019331 /nfs/dbraw/zinc/01/93/31/553019331.db2.gz RGDIZNVETDIODX-UHFFFAOYSA-N 1 0 389.905 2.909 20 5 GFBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000237803415 553082368 /nfs/dbraw/zinc/08/23/68/553082368.db2.gz HPVCDCUFGIWEDA-CYBMUJFWSA-N 1 0 384.223 2.554 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234015 563268967 /nfs/dbraw/zinc/26/89/67/563268967.db2.gz BKZSGDPPFOCYSG-BBRMVZONSA-N 1 0 396.285 2.890 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423972745 563366429 /nfs/dbraw/zinc/36/64/29/563366429.db2.gz LVXFZAOVOPOSGB-IAQYHMDHSA-N 1 0 382.258 2.962 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301567906 563407634 /nfs/dbraw/zinc/40/76/34/563407634.db2.gz WBWSELFKZBDTKD-NSHDSACASA-N 1 0 389.237 2.977 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322402298 563450065 /nfs/dbraw/zinc/45/00/65/563450065.db2.gz VKYUEWPVOIOSHO-NHYWBVRUSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225509 563498793 /nfs/dbraw/zinc/49/87/93/563498793.db2.gz LGWHUCBMTDWBHD-OCCSQVGLSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCOCC2)c1 ZINC000289517848 563677121 /nfs/dbraw/zinc/67/71/21/563677121.db2.gz NPJYLCHPGWDHKB-LBPRGKRZSA-N 1 0 376.194 2.858 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415699963 563791963 /nfs/dbraw/zinc/79/19/63/563791963.db2.gz KUPROWFMSCQWCI-OAHLLOKOSA-N 1 0 383.246 2.965 20 5 GFBDRO Cc1cc(Br)ccc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000444710275 563835745 /nfs/dbraw/zinc/83/57/45/563835745.db2.gz UVAUWGGTINFQAE-UHFFFAOYSA-N 1 0 380.242 2.959 20 5 GFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390254 564232064 /nfs/dbraw/zinc/23/20/64/564232064.db2.gz KODPNVRVMUUZGT-ZANVPECISA-N 1 0 376.194 2.857 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000541422289 564278778 /nfs/dbraw/zinc/27/87/78/564278778.db2.gz BHRKZVAAGMWVKX-HNNXBMFYSA-N 1 0 389.930 2.894 20 5 GFBDRO CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000542768368 564325829 /nfs/dbraw/zinc/32/58/29/564325829.db2.gz CQZAKDXVKQFJKX-CVEARBPZSA-N 1 0 381.523 2.725 20 5 GFBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCCC3)CC2)s1 ZINC000543962367 564369685 /nfs/dbraw/zinc/36/96/85/564369685.db2.gz IYQOMIYPQDAFJD-UHFFFAOYSA-N 1 0 387.527 2.762 20 5 GFBDRO NC(=O)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000478940163 564420154 /nfs/dbraw/zinc/42/01/54/564420154.db2.gz PJNRMVVOVLPJLD-HNNXBMFYSA-N 1 0 393.241 2.585 20 5 GFBDRO CCOC(=O)CC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568802548 564435488 /nfs/dbraw/zinc/43/54/88/564435488.db2.gz FPYGKNXOYROBNE-UHFFFAOYSA-N 1 0 392.193 2.584 20 5 GFBDRO CCc1ccc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000515017502 564465546 /nfs/dbraw/zinc/46/55/46/564465546.db2.gz BZIYISIJYZLWRR-UHFFFAOYSA-N 1 0 383.495 2.588 20 5 GFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480357549 564469467 /nfs/dbraw/zinc/46/94/67/564469467.db2.gz PMRUQFOBZOGFNM-ZBEGNZNMSA-N 1 0 387.889 2.569 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000570608882 564513888 /nfs/dbraw/zinc/51/38/88/564513888.db2.gz NPBSOQZKJLDUQS-SNVBAGLBSA-N 1 0 376.194 2.716 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000517093922 564524437 /nfs/dbraw/zinc/52/44/37/564524437.db2.gz UGIQLXROXVJVOP-OAHLLOKOSA-N 1 0 383.246 2.883 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571638246 564559706 /nfs/dbraw/zinc/55/97/06/564559706.db2.gz ANACBPRZJUZWRD-NEPJUHHUSA-N 1 0 382.258 2.819 20 5 GFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456383905 564604922 /nfs/dbraw/zinc/60/49/22/564604922.db2.gz PWXFNHWQPXTEGY-CYBMUJFWSA-N 1 0 384.274 2.843 20 5 GFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552882818 564703699 /nfs/dbraw/zinc/70/36/99/564703699.db2.gz AYYOTHUQQYKVRC-TXEJJXNPSA-N 1 0 375.878 2.789 20 5 GFBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554946263 564779229 /nfs/dbraw/zinc/77/92/29/564779229.db2.gz IEBWGLHWXRKDRF-SNVBAGLBSA-N 1 0 378.210 2.792 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000584052986 564919055 /nfs/dbraw/zinc/91/90/55/564919055.db2.gz POGDFKOIIZXSCP-CHWSQXEVSA-N 1 0 387.889 2.567 20 5 GFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500144985 564947054 /nfs/dbraw/zinc/94/70/54/564947054.db2.gz KFJACYWAQGPGRC-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2cscn2)c1 ZINC000589313658 565161601 /nfs/dbraw/zinc/16/16/01/565161601.db2.gz KVIQGEGCXWTMAV-UHFFFAOYSA-N 1 0 389.218 2.988 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595115900 565448950 /nfs/dbraw/zinc/44/89/50/565448950.db2.gz MXHPTQJAAJFXIC-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3COCCN3)o2)c(Br)c1 ZINC000600775237 565748832 /nfs/dbraw/zinc/74/88/32/565748832.db2.gz MHWNCDRMJDLDCX-NSHDSACASA-N 1 0 396.241 2.695 20 5 GFBDRO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000601292105 565774612 /nfs/dbraw/zinc/77/46/12/565774612.db2.gz KNKFOOJSEYBSNK-NEPJUHHUSA-N 1 0 383.250 2.561 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(F)(F)F ZINC000602541664 565853853 /nfs/dbraw/zinc/85/38/53/565853853.db2.gz QPKQPLBZMBLDSQ-JQWIXIFHSA-N 1 0 379.766 2.776 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000602541630 565854119 /nfs/dbraw/zinc/85/41/19/565854119.db2.gz QKDBRAGKCMMXMX-SKDRFNHKSA-N 1 0 377.388 2.916 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000603975906 565921080 /nfs/dbraw/zinc/92/10/80/565921080.db2.gz NRTNRWZCPJRMGR-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135166 566068256 /nfs/dbraw/zinc/06/82/56/566068256.db2.gz LWFGSBSDSAUNPN-WCQYABFASA-N 1 0 375.878 2.742 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C2CCC2)CC1 ZINC000610668397 566092503 /nfs/dbraw/zinc/09/25/03/566092503.db2.gz PUQNTSVQJHXACG-UHFFFAOYSA-N 1 0 382.258 2.597 20 5 GFBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000736131140 598501863 /nfs/dbraw/zinc/50/18/63/598501863.db2.gz JKYUJBRGAQJWTL-GFCCVEGCSA-N 1 0 382.428 2.711 20 5 GFBDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000736197626 599306959 /nfs/dbraw/zinc/30/69/59/599306959.db2.gz BMFOZOKKNMZKJT-CQSZACIVSA-N 1 0 379.424 2.658 20 5 GFBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820665792 606199314 /nfs/dbraw/zinc/19/93/14/606199314.db2.gz GTDHLXBJDKUVIQ-HIFRSBDPSA-N 1 0 394.439 2.635 20 5 GFBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668772 606875352 /nfs/dbraw/zinc/87/53/52/606875352.db2.gz WELBVAPBBAEXTQ-HIFRSBDPSA-N 1 0 379.424 2.850 20 5 GFBDRO COc1cc(-c2nn[nH]n2)ccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826168758 608374095 /nfs/dbraw/zinc/37/40/95/608374095.db2.gz XSUAZNWZXIFPSQ-UHFFFAOYSA-N 1 0 380.408 2.948 20 5 GFBDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826176345 608470740 /nfs/dbraw/zinc/47/07/40/608470740.db2.gz LJGLJKUJVAQELO-LBPRGKRZSA-N 1 0 384.396 2.513 20 5 GFBDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826341250 608471159 /nfs/dbraw/zinc/47/11/59/608471159.db2.gz BNOBIQPSUOCVJW-WDEREUQCSA-N 1 0 399.411 2.663 20 5 GFBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000826241398 608490072 /nfs/dbraw/zinc/49/00/72/608490072.db2.gz BVYIUEGEPNTIDY-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202828 609344607 /nfs/dbraw/zinc/34/46/07/609344607.db2.gz OVDVWROYBVJQNP-UHFFFAOYSA-N 1 0 388.815 2.769 20 5 GFBDRO C[C@@]1(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819350571 660256188 /nfs/dbraw/zinc/25/61/88/660256188.db2.gz POROLJNWIIGDAW-CYBMUJFWSA-N 1 0 381.281 2.932 20 5 GFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825624974 660435171 /nfs/dbraw/zinc/43/51/71/660435171.db2.gz UOPPBGWQKBOPGY-UHFFFAOYSA-N 1 0 385.262 2.699 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827264639 660486890 /nfs/dbraw/zinc/48/68/90/660486890.db2.gz CXSMYEXHSFYCRW-IAQYHMDHSA-N 1 0 382.258 2.832 20 5 GFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000123438300 654755902 /nfs/dbraw/zinc/75/59/02/654755902.db2.gz MOYIMZFKPBNDNO-LBPRGKRZSA-N 1 0 384.274 2.748 20 5 GFBDRO C[NH+](C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000129131436 654857529 /nfs/dbraw/zinc/85/75/29/654857529.db2.gz JVFSNEDBHFAIQB-ZDUSSCGKSA-N 1 0 375.516 2.982 20 5 GFBDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000484 654892194 /nfs/dbraw/zinc/89/21/94/654892194.db2.gz KFJASHFKIHNBLH-UHFFFAOYSA-N 1 0 383.495 2.975 20 5 GFBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000270217064 655037766 /nfs/dbraw/zinc/03/77/66/655037766.db2.gz MFJZLZPCNUAPBQ-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1Br ZINC000839615297 661096019 /nfs/dbraw/zinc/09/60/19/661096019.db2.gz VURJOTDSQMIMHL-HZPDHXFCSA-N 1 0 385.258 2.767 20 5 GFBDRO CSc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000275081226 655215598 /nfs/dbraw/zinc/21/55/98/655215598.db2.gz FHJUHGIDHSLXPR-GOEBONIOSA-N 1 0 381.523 2.969 20 5 GFBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839529487 661090147 /nfs/dbraw/zinc/09/01/47/661090147.db2.gz RPRPTIFRXYEXLM-UHFFFAOYSA-N 1 0 399.333 2.815 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000116907580 655256724 /nfs/dbraw/zinc/25/67/24/655256724.db2.gz CYZORNIIZSFWQD-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000276940037 655294208 /nfs/dbraw/zinc/29/42/08/655294208.db2.gz AOJSJMVTMQNNKK-NSHDSACASA-N 1 0 377.413 2.512 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000178547643 655304555 /nfs/dbraw/zinc/30/45/55/655304555.db2.gz NKNKIKNUZCQREX-LLVKDONJSA-N 1 0 378.479 2.932 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119762782 655314219 /nfs/dbraw/zinc/31/42/19/655314219.db2.gz YVRHKMZBQLHLQN-KBPBESRZSA-N 1 0 387.527 2.931 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000292819425 655354818 /nfs/dbraw/zinc/35/48/18/655354818.db2.gz NVBZZSQCEOIPCI-INIZCTEOSA-N 1 0 387.889 2.663 20 5 GFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985370 655877809 /nfs/dbraw/zinc/87/78/09/655877809.db2.gz FDSNEGROSZGULS-MNOVXSKESA-N 1 0 386.221 2.853 20 5 GFBDRO CCC[N@H+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755021594 655878604 /nfs/dbraw/zinc/87/86/04/655878604.db2.gz MRUHZJZJJWNYQD-UHFFFAOYSA-N 1 0 376.226 2.958 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000775596092 656653475 /nfs/dbraw/zinc/65/34/75/656653475.db2.gz REPNSQBEULHOCN-NSHDSACASA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000779874372 656952013 /nfs/dbraw/zinc/95/20/13/656952013.db2.gz PDYYDOOIGNEYFB-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000779891999 656956654 /nfs/dbraw/zinc/95/66/54/656956654.db2.gz DSYQONHPSUYKHE-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077251 657100763 /nfs/dbraw/zinc/10/07/63/657100763.db2.gz DBMPNCDDOZCFDR-HOTGVXAUSA-N 1 0 381.226 2.714 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000788921062 657798618 /nfs/dbraw/zinc/79/86/18/657798618.db2.gz WAVCYTXQMHUGTF-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790770537 658021431 /nfs/dbraw/zinc/02/14/31/658021431.db2.gz RLVFIOSPQUGPHA-NSHDSACASA-N 1 0 397.273 2.519 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796113026 658893398 /nfs/dbraw/zinc/89/33/98/658893398.db2.gz GDUOUJWTYXTBAL-STQMWFEESA-N 1 0 387.889 2.804 20 5 GFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000809860552 659950404 /nfs/dbraw/zinc/95/04/04/659950404.db2.gz RBWZFEUABUCJSN-GFCCVEGCSA-N 1 0 377.894 2.955 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000814990025 660100303 /nfs/dbraw/zinc/10/03/03/660100303.db2.gz YEVTWDZADIMCFK-WDEREUQCSA-N 1 0 393.868 2.929 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000815001253 660100618 /nfs/dbraw/zinc/10/06/18/660100618.db2.gz BHIGAWPNZKQLOA-NSHDSACASA-N 1 0 391.852 2.636 20 5 GFBDRO O=C(NC[C@H]1CCCC[NH2+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841923247 661317651 /nfs/dbraw/zinc/31/76/51/661317651.db2.gz ZMZDKRHVLXDGTO-LLVKDONJSA-N 1 0 397.273 2.567 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843113580 661369159 /nfs/dbraw/zinc/36/91/59/661369159.db2.gz XTVVZQBMWSXGEP-JKSUJKDBSA-N 1 0 381.226 2.714 20 5 GFBDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000850590804 661782873 /nfs/dbraw/zinc/78/28/73/661782873.db2.gz CKQPTNILSSMJJC-DGCLKSJQSA-N 1 0 375.878 2.776 20 5 GFBDRO COCCC1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868044148 662592400 /nfs/dbraw/zinc/59/24/00/662592400.db2.gz HBONVGBUSBLKQT-UHFFFAOYSA-N 1 0 387.889 2.615 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000881933065 663010300 /nfs/dbraw/zinc/01/03/00/663010300.db2.gz KFPOIHDFBHMHOZ-DGCLKSJQSA-N 1 0 375.878 2.517 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000883148893 663050400 /nfs/dbraw/zinc/05/04/00/663050400.db2.gz NNEZTDRPOHFJNP-KGLIPLIRSA-N 1 0 397.273 2.783 20 5 GFBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000886953444 663126218 /nfs/dbraw/zinc/12/62/18/663126218.db2.gz ZVWRQRRYNKRPIC-MRVPVSSYSA-N 1 0 393.188 2.724 20 5 GFBDRO C[N@@H+]1CC[C@@H](Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000904020561 663817774 /nfs/dbraw/zinc/81/77/74/663817774.db2.gz SBOMKIZXHIZGHR-JTQLQIEISA-N 1 0 381.230 2.825 20 5 GFBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603339 664294385 /nfs/dbraw/zinc/29/43/85/664294385.db2.gz SWKHUKMNNDAPKG-STQMWFEESA-N 1 0 382.258 2.960 20 5 GFBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572627 664829046 /nfs/dbraw/zinc/82/90/46/664829046.db2.gz QAZXPIHOEBNOTO-KWQFWETISA-N 1 0 377.203 2.949 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000933437755 664863984 /nfs/dbraw/zinc/86/39/84/664863984.db2.gz FWIAVKFYRUZYDG-GWCFXTLKSA-N 1 0 399.289 2.742 20 5 GFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497548 664909159 /nfs/dbraw/zinc/90/91/59/664909159.db2.gz VTRDJFIABNNTHK-IAGOWNOFSA-N 1 0 395.253 2.888 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164618475 719067904 /nfs/dbraw/zinc/06/79/04/719067904.db2.gz AUVMREUGGDZNMZ-MAUKXSAKSA-N 1 0 383.408 2.999 20 5 GFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627155 719077861 /nfs/dbraw/zinc/07/78/61/719077861.db2.gz PNEBCMCPGIPYIY-DLBZAZTESA-N 1 0 383.452 2.803 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806790 720071278 /nfs/dbraw/zinc/07/12/78/720071278.db2.gz DGWSPQAFRGJOKD-KBXCAEBGSA-N 1 0 380.876 2.828 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164766368 721109197 /nfs/dbraw/zinc/10/91/97/721109197.db2.gz KTTRFEMQVMUHEG-MSOLQXFVSA-N 1 0 392.463 2.835 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCOc4ccccc4)CC3)cnc2c1 ZINC001165043781 721954063 /nfs/dbraw/zinc/95/40/63/721954063.db2.gz AVOOFFMGOZQDFF-UHFFFAOYSA-N 1 0 379.420 2.739 20 5 GFBDRO O=C(CN1CC[NH+](CC2CCCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000064130114 205188703 /nfs/dbraw/zinc/18/87/03/205188703.db2.gz PFQYQPLIMCSVKS-UHFFFAOYSA-N 1 0 386.496 2.682 20 5 GFBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000124436927 551314677 /nfs/dbraw/zinc/31/46/77/551314677.db2.gz GKZYAPMMDSDQFC-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000131005257 551370957 /nfs/dbraw/zinc/37/09/57/551370957.db2.gz JYWFMDCNTNEEHP-UHFFFAOYSA-N 1 0 399.289 2.834 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cs1 ZINC000131034316 551371419 /nfs/dbraw/zinc/37/14/19/551371419.db2.gz SRCMNSXQOHMXTC-LLVKDONJSA-N 1 0 387.255 2.948 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000150966344 551404588 /nfs/dbraw/zinc/40/45/88/551404588.db2.gz KJTAIMGGVBSOQM-AWEZNQCLSA-N 1 0 382.258 2.597 20 5 GFBDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000153026440 551444691 /nfs/dbraw/zinc/44/46/91/551444691.db2.gz GKDMHNJKGVHXCU-DGCLKSJQSA-N 1 0 384.274 2.841 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000160173005 551576661 /nfs/dbraw/zinc/57/66/61/551576661.db2.gz JUQCKZKJXMVTFB-CYBMUJFWSA-N 1 0 387.889 2.887 20 5 GFBDRO [NH3+][C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000238050966 553085883 /nfs/dbraw/zinc/08/58/83/553085883.db2.gz FHSNHCPZNTWOOQ-LBPRGKRZSA-N 1 0 384.223 2.554 20 5 GFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246138379 553102678 /nfs/dbraw/zinc/10/26/78/553102678.db2.gz FAZOZTYVNJQZPU-RISCZKNCSA-N 1 0 382.258 2.595 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000248420536 553129191 /nfs/dbraw/zinc/12/91/91/553129191.db2.gz XDTGULFKSJZLEL-WCQYABFASA-N 1 0 382.258 2.914 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248549057 553131462 /nfs/dbraw/zinc/13/14/62/553131462.db2.gz KAHJCRWYJUUFGU-STQMWFEESA-N 1 0 387.889 2.661 20 5 GFBDRO C[C@@H](CCCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000294895507 563220947 /nfs/dbraw/zinc/22/09/47/563220947.db2.gz WVNUKWJENFVVDP-JTQLQIEISA-N 1 0 378.210 2.698 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)o2)c(Br)c1 ZINC000370398082 563242357 /nfs/dbraw/zinc/24/23/57/563242357.db2.gz OTXJBKUWYIPWPH-NEPJUHHUSA-N 1 0 397.225 2.545 20 5 GFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000279511823 563299087 /nfs/dbraw/zinc/29/90/87/563299087.db2.gz NROLUEHKWQBSOB-JTQLQIEISA-N 1 0 380.388 2.917 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374182485 563364490 /nfs/dbraw/zinc/36/44/90/563364490.db2.gz HZJXUZOACSYMOJ-CQSZACIVSA-N 1 0 387.889 2.709 20 5 GFBDRO C[NH+](C)[C@H](CNc1ccc(I)cc1[N+](=O)[O-])C1CC1 ZINC000301988645 563418320 /nfs/dbraw/zinc/41/83/20/563418320.db2.gz NWFYWTYAYGFHHZ-CYBMUJFWSA-N 1 0 375.210 2.952 20 5 GFBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425034 563421737 /nfs/dbraw/zinc/42/17/37/563421737.db2.gz SXASKZZZZUXVHW-TZMCWYRMSA-N 1 0 382.258 2.848 20 5 GFBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425671870 563430835 /nfs/dbraw/zinc/43/08/35/563430835.db2.gz JGXAGIDRAHQLMW-IINYFYTJSA-N 1 0 383.246 2.915 20 5 GFBDRO O=[N+]([O-])c1nn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000284340056 563471839 /nfs/dbraw/zinc/47/18/39/563471839.db2.gz VGLWREQPYGRJBT-CQSZACIVSA-N 1 0 395.257 2.845 20 5 GFBDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000330563122 563510988 /nfs/dbraw/zinc/51/09/88/563510988.db2.gz JURMAPWUJLTJGZ-VXGBXAGGSA-N 1 0 399.289 2.710 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397212441 563531745 /nfs/dbraw/zinc/53/17/45/563531745.db2.gz BUYHQELPXFORIR-SCVCMEIPSA-N 1 0 375.878 2.551 20 5 GFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286496511 563562625 /nfs/dbraw/zinc/56/26/25/563562625.db2.gz MCMNCEONDFIDPJ-IAGOWNOFSA-N 1 0 395.253 2.888 20 5 GFBDRO CC(C)(CCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289450296 563674591 /nfs/dbraw/zinc/67/45/91/563674591.db2.gz GXHVQUDEPHJEOE-UHFFFAOYSA-N 1 0 378.210 2.698 20 5 GFBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000365105328 563774091 /nfs/dbraw/zinc/77/40/91/563774091.db2.gz OURNCZYBDODTGT-GDBMZVCRSA-N 1 0 382.258 2.630 20 5 GFBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365539520 563786154 /nfs/dbraw/zinc/78/61/54/563786154.db2.gz PZRFOVKVSAYLHG-YDHLFZDLSA-N 1 0 394.269 2.914 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366536515 563812660 /nfs/dbraw/zinc/81/26/60/563812660.db2.gz RUVKOGLAUHJVSO-MRXNPFEDSA-N 1 0 382.258 2.834 20 5 GFBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000443969030 563817077 /nfs/dbraw/zinc/81/70/77/563817077.db2.gz QXJBYUIFXFPQCD-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416469238 563833823 /nfs/dbraw/zinc/83/38/23/563833823.db2.gz CSGFSKYKCKVDSI-SNVBAGLBSA-N 1 0 383.392 2.622 20 5 GFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446263525 563861689 /nfs/dbraw/zinc/86/16/89/563861689.db2.gz XQJHULIOVLVNNY-AWEZNQCLSA-N 1 0 384.274 2.843 20 5 GFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449415948 564186013 /nfs/dbraw/zinc/18/60/13/564186013.db2.gz QMISSBQPDVPKEK-GFCCVEGCSA-N 1 0 376.194 2.857 20 5 GFBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449443076 564186818 /nfs/dbraw/zinc/18/68/18/564186818.db2.gz PBZPTKYAMOIECG-ZDUSSCGKSA-N 1 0 383.495 2.741 20 5 GFBDRO O=[N+]([O-])c1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cs1 ZINC000449765167 564200522 /nfs/dbraw/zinc/20/05/22/564200522.db2.gz GVPKAQDZYGPYMU-UHFFFAOYSA-N 1 0 399.270 2.684 20 5 GFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390248 564231669 /nfs/dbraw/zinc/23/16/69/564231669.db2.gz KODPNVRVMUUZGT-NOZJJQNGSA-N 1 0 376.194 2.857 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC000564861101 564253542 /nfs/dbraw/zinc/25/35/42/564253542.db2.gz XERCVEUFPLYRKW-ZDUSSCGKSA-N 1 0 378.475 2.848 20 5 GFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777065 564295783 /nfs/dbraw/zinc/29/57/83/564295783.db2.gz IXBLMZVSFZAFEX-YGRLFVJLSA-N 1 0 388.262 2.683 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC2(O)CCC2)c1 ZINC000565976753 564304257 /nfs/dbraw/zinc/30/42/57/564304257.db2.gz CVEKBZXCRZVXCI-UHFFFAOYSA-N 1 0 376.194 2.594 20 5 GFBDRO CS[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000543311623 564345587 /nfs/dbraw/zinc/34/55/87/564345587.db2.gz PAVLGBOBHHZVPP-GXTWGEPZSA-N 1 0 389.930 2.844 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512164054 564393249 /nfs/dbraw/zinc/39/32/49/564393249.db2.gz NJZJNKAWPSOKJW-HNNXBMFYSA-N 1 0 386.235 2.777 20 5 GFBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480357542 564469535 /nfs/dbraw/zinc/46/95/35/564469535.db2.gz PMRUQFOBZOGFNM-BDJLRTHQSA-N 1 0 387.889 2.569 20 5 GFBDRO COC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000558460290 564901581 /nfs/dbraw/zinc/90/15/81/564901581.db2.gz ULIJQENHSMYVFX-ZDUSSCGKSA-N 1 0 376.194 2.714 20 5 GFBDRO C[NH+](C)CC1(NCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000558475362 564902432 /nfs/dbraw/zinc/90/24/32/564902432.db2.gz GPAVBUQLLRPBGA-UHFFFAOYSA-N 1 0 389.237 2.773 20 5 GFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(Br)c3)CCOCC2)n1 ZINC000533348873 564961334 /nfs/dbraw/zinc/96/13/34/564961334.db2.gz ZNOSOVAZBYSEOJ-UHFFFAOYSA-N 1 0 395.257 2.849 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC000533485290 564964248 /nfs/dbraw/zinc/96/42/48/564964248.db2.gz NEKACNDNXZARQZ-UHFFFAOYSA-N 1 0 395.257 2.849 20 5 GFBDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536675868 565044396 /nfs/dbraw/zinc/04/43/96/565044396.db2.gz AYJTXDJCDHVUKQ-AWEZNQCLSA-N 1 0 381.479 2.576 20 5 GFBDRO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382762 565272822 /nfs/dbraw/zinc/27/28/22/565272822.db2.gz ZQYSGAKMOMUBJR-GZMMTYOYSA-N 1 0 382.269 2.650 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000594990524 565439774 /nfs/dbraw/zinc/43/97/74/565439774.db2.gz ZQBKRGHAMIWQHC-STQMWFEESA-N 1 0 388.205 2.593 20 5 GFBDRO Cc1c(Br)c(N2CCC(C)([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000599160641 565658645 /nfs/dbraw/zinc/65/86/45/565658645.db2.gz PTTFHJHHNXURFE-UHFFFAOYSA-N 1 0 399.289 2.752 20 5 GFBDRO C[NH+](C)C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000600474088 565731846 /nfs/dbraw/zinc/73/18/46/565731846.db2.gz WXGHOFNSVNUDOA-CYBMUJFWSA-N 1 0 386.239 2.517 20 5 GFBDRO Cc1cc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601335861 565776591 /nfs/dbraw/zinc/77/65/91/565776591.db2.gz YXRNYPGJVASYSJ-UHFFFAOYSA-N 1 0 375.516 2.706 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601352125 565777037 /nfs/dbraw/zinc/77/70/37/565777037.db2.gz SAQKXYIIYXLKPB-BXKDBHETSA-N 1 0 394.280 2.664 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000602541859 565854197 /nfs/dbraw/zinc/85/41/97/565854197.db2.gz RHFROWYESYDDQG-MFKMUULPSA-N 1 0 377.388 2.673 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1Br ZINC000602568254 565855021 /nfs/dbraw/zinc/85/50/21/565855021.db2.gz KPKLXXPWDPFUAG-VIFPVBQESA-N 1 0 375.244 2.953 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOC[C@H]2CCOC2)cc1Br ZINC000602561285 565855104 /nfs/dbraw/zinc/85/51/04/565855104.db2.gz XNXIVRNFKIJHQN-SNVBAGLBSA-N 1 0 379.276 2.952 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000823621160 606704326 /nfs/dbraw/zinc/70/43/26/606704326.db2.gz XLIJZLSERUYEMY-UHFFFAOYSA-N 1 0 386.460 2.627 20 5 GFBDRO CC[NH+](CC)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821181096 607162611 /nfs/dbraw/zinc/16/26/11/607162611.db2.gz KBXGQHUIDDFXDB-OAHLLOKOSA-N 1 0 382.428 2.665 20 5 GFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823646959 607177037 /nfs/dbraw/zinc/17/70/37/607177037.db2.gz DVGJZHXXCWKSHK-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826500193 607943349 /nfs/dbraw/zinc/94/33/49/607943349.db2.gz OAXPMXZGXFJABZ-UHFFFAOYSA-N 1 0 380.408 2.602 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822517 654821894 /nfs/dbraw/zinc/82/18/94/654821894.db2.gz XRTUCWQJGZLKEX-AAEUAGOBSA-N 1 0 387.527 2.896 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000267473969 654930402 /nfs/dbraw/zinc/93/04/02/654930402.db2.gz PPUGIRYGGGDACC-CQSZACIVSA-N 1 0 388.287 2.524 20 5 GFBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000166328176 655141480 /nfs/dbraw/zinc/14/14/80/655141480.db2.gz NGJRSKYAEKFZTR-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113945143 655216256 /nfs/dbraw/zinc/21/62/56/655216256.db2.gz LQABRIXGWWFRLF-KGLIPLIRSA-N 1 0 387.527 2.931 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522383 655352032 /nfs/dbraw/zinc/35/20/32/655352032.db2.gz WKJXTEFRBHZQKK-HOCLYGCPSA-N 1 0 382.873 2.672 20 5 GFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000294125314 655365287 /nfs/dbraw/zinc/36/52/87/655365287.db2.gz MAVKETHWGYVXTL-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO C[C@@H]1CC2(CN1C(=O)c1ccc([N+](=O)[O-])cc1Br)CC[NH2+]CC2 ZINC000580183292 655509450 /nfs/dbraw/zinc/50/94/50/655509450.db2.gz BLRXDPVVDIRTQT-LLVKDONJSA-N 1 0 382.258 2.962 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000596129659 655514029 /nfs/dbraw/zinc/51/40/29/655514029.db2.gz VXDZFRRBZQPLAH-ZDUSSCGKSA-N 1 0 383.290 2.574 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)cc1 ZINC000751564857 655831019 /nfs/dbraw/zinc/83/10/19/655831019.db2.gz LXXDIVCNJZFAGF-HZPDHXFCSA-N 1 0 381.226 2.714 20 5 GFBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000752234472 655841166 /nfs/dbraw/zinc/84/11/66/655841166.db2.gz DQIFWDUCTKXCGW-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000778011636 656852388 /nfs/dbraw/zinc/85/23/88/656852388.db2.gz ADKCEDABSNQTHU-UHFFFAOYSA-N 1 0 375.466 2.830 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719547 657323687 /nfs/dbraw/zinc/32/36/87/657323687.db2.gz CBGSBJMMZARICT-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000796116031 658893908 /nfs/dbraw/zinc/89/39/08/658893908.db2.gz RPCQMGNGQFFXHA-OLZOCXBDSA-N 1 0 387.889 2.804 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000805111313 659741222 /nfs/dbraw/zinc/74/12/22/659741222.db2.gz UITQVUYOGDRDKT-JSGCOSHPSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000809808387 659940346 /nfs/dbraw/zinc/94/03/46/659940346.db2.gz QZNUFCQXMXBGBM-WDEREUQCSA-N 1 0 393.868 2.929 20 5 GFBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813479553 660055400 /nfs/dbraw/zinc/05/54/00/660055400.db2.gz ABGXHZCUJBOAPQ-GFCCVEGCSA-N 1 0 388.251 2.885 20 5 GFBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815030509 660104237 /nfs/dbraw/zinc/10/42/37/660104237.db2.gz OFWDMYKJHUUCCH-UHFFFAOYSA-N 1 0 393.868 2.740 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842876896 661358513 /nfs/dbraw/zinc/35/85/13/661358513.db2.gz ZZHNDYHNIFFZKR-OLZOCXBDSA-N 1 0 387.889 2.649 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849418777 661720246 /nfs/dbraw/zinc/72/02/46/661720246.db2.gz HMTSQHSBYLXXBM-NSHDSACASA-N 1 0 375.878 2.708 20 5 GFBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000856730870 662039267 /nfs/dbraw/zinc/03/92/67/662039267.db2.gz SXWAOVXBTBTADW-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000856750779 662041629 /nfs/dbraw/zinc/04/16/29/662041629.db2.gz URLQOHNLWBUFOS-CYBMUJFWSA-N 1 0 384.274 2.906 20 5 GFBDRO CC(C)C[NH2+]C1(CO)CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856762438 662042988 /nfs/dbraw/zinc/04/29/88/662042988.db2.gz JCJMXUDHEPMRKJ-UHFFFAOYSA-N 1 0 386.290 2.934 20 5 GFBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865718098 662438676 /nfs/dbraw/zinc/43/86/76/662438676.db2.gz VEMFXIYGGAHXFI-CYBMUJFWSA-N 1 0 382.258 2.595 20 5 GFBDRO C[NH+](C)Cc1ccnc(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000866351708 662468932 /nfs/dbraw/zinc/46/89/32/662468932.db2.gz LZXVUXIZXLESKH-UHFFFAOYSA-N 1 0 393.241 2.995 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cn1 ZINC000877129004 662871446 /nfs/dbraw/zinc/87/14/46/662871446.db2.gz GNPLAANCJQKCHF-HLLBOEOZSA-N 1 0 380.539 2.928 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1Br ZINC000877623160 662880171 /nfs/dbraw/zinc/88/01/71/662880171.db2.gz YINIBXRCURMSNL-FQEVSTJZSA-N 1 0 395.222 2.819 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000882035352 663014434 /nfs/dbraw/zinc/01/44/34/663014434.db2.gz JYECBVFWJMKXFY-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925763639 664674563 /nfs/dbraw/zinc/67/45/63/664674563.db2.gz SUQPIKFAIZJZCZ-RRFJBIMHSA-N 1 0 384.274 2.604 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000929796122 664757780 /nfs/dbraw/zinc/75/77/80/664757780.db2.gz OUHTVZDDHLXFLJ-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813794 720146622 /nfs/dbraw/zinc/14/66/22/720146622.db2.gz QQEMUMGKFALODT-MGPUTAFESA-N 1 0 385.468 2.656 20 5 GFBDRO Cc1cc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164731972 720509604 /nfs/dbraw/zinc/50/96/04/720509604.db2.gz RSAHLZUJCUPCBX-HNNXBMFYSA-N 1 0 380.452 2.846 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164836496 720710523 /nfs/dbraw/zinc/71/05/23/720710523.db2.gz BMAREJXIYAOJIJ-SFHVURJKSA-N 1 0 397.479 2.832 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870903 721046318 /nfs/dbraw/zinc/04/63/18/721046318.db2.gz XJQMUJCVHAOPOA-HOTGVXAUSA-N 1 0 389.843 2.518 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164866851 721047984 /nfs/dbraw/zinc/04/79/84/721047984.db2.gz GHUXRKARBGJXFA-HOTGVXAUSA-N 1 0 389.843 2.518 20 5 GFBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164793164 721489974 /nfs/dbraw/zinc/48/99/74/721489974.db2.gz OHLQKHLOGSCMHR-UHFFFAOYSA-N 1 0 383.452 2.504 20 5 GFBDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165027302 721829357 /nfs/dbraw/zinc/82/93/57/721829357.db2.gz RVNAGPXHZGOFPM-RYQLBKOJSA-N 1 0 382.468 2.825 20 5 GFBDRO COc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164952990 722016293 /nfs/dbraw/zinc/01/62/93/722016293.db2.gz QIOZZJKTPCLEGN-UHFFFAOYSA-N 1 0 383.452 2.886 20 5 GFBDRO CC(C)C[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000049968819 551160199 /nfs/dbraw/zinc/16/01/99/551160199.db2.gz OOKOEOJYVOVIPD-UHFFFAOYSA-N 1 0 399.289 2.569 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127359618 551340385 /nfs/dbraw/zinc/34/03/85/551340385.db2.gz HCLCNHXDOOBCDT-GFCCVEGCSA-N 1 0 382.258 2.915 20 5 GFBDRO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])cc1Br ZINC000160429709 551580332 /nfs/dbraw/zinc/58/03/32/551580332.db2.gz ZEDJTHMEYARKAH-UHFFFAOYSA-N 1 0 375.267 2.547 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176722378 552144746 /nfs/dbraw/zinc/14/47/46/552144746.db2.gz DGHGWJWDEWYPJE-ZDUSSCGKSA-N 1 0 387.889 2.663 20 5 GFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000182278592 552280058 /nfs/dbraw/zinc/28/00/58/552280058.db2.gz PAOUFQLCPFWDGC-TZMCWYRMSA-N 1 0 386.246 2.843 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC000191230023 552522178 /nfs/dbraw/zinc/52/21/78/552522178.db2.gz CQRVYBOQEMNFEA-SNVBAGLBSA-N 1 0 389.886 2.939 20 5 GFBDRO COCCN(CCn1ccc([N+](=O)[O-])n1)Cc1sccc1Br ZINC000191432266 552528143 /nfs/dbraw/zinc/52/81/43/552528143.db2.gz YLCLQDRNABKCRZ-UHFFFAOYSA-N 1 0 389.275 2.764 20 5 GFBDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000191948732 552543937 /nfs/dbraw/zinc/54/39/37/552543937.db2.gz GVDSUUCREDANDN-UHFFFAOYSA-N 1 0 381.479 2.946 20 5 GFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237457624 553078126 /nfs/dbraw/zinc/07/81/26/553078126.db2.gz IYSUGBCSMFQQOE-KWQFWETISA-N 1 0 382.269 2.792 20 5 GFBDRO CC(C)(CO)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000294688119 563213019 /nfs/dbraw/zinc/21/30/19/563213019.db2.gz CDXXYUYQDQUILQ-UHFFFAOYSA-N 1 0 378.210 2.698 20 5 GFBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278760381 563269099 /nfs/dbraw/zinc/26/90/99/563269099.db2.gz TUCVOHGBRDOCMS-VIFPVBQESA-N 1 0 379.218 2.608 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000279529088 563299455 /nfs/dbraw/zinc/29/94/55/563299455.db2.gz UIHJMBQNAUCVBA-JTQLQIEISA-N 1 0 396.296 2.864 20 5 GFBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422557354 563343334 /nfs/dbraw/zinc/34/33/34/563343334.db2.gz VSWJGBXVZOVLDA-KXUCPTDWSA-N 1 0 396.296 2.896 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301860777 563413872 /nfs/dbraw/zinc/41/38/72/563413872.db2.gz TVAOWBLYYOWEBG-AWEZNQCLSA-N 1 0 399.289 2.834 20 5 GFBDRO COC(=O)CC1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000425411011 563420979 /nfs/dbraw/zinc/42/09/79/563420979.db2.gz CJMDPCYAAGPEDI-UHFFFAOYSA-N 1 0 387.230 2.559 20 5 GFBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000327456908 563458523 /nfs/dbraw/zinc/45/85/23/563458523.db2.gz VQPLNGCNTANFGX-LLVKDONJSA-N 1 0 381.841 2.890 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000408001175 563541157 /nfs/dbraw/zinc/54/11/57/563541157.db2.gz AVIAMLCLYAENOC-ZYHUDNBSSA-N 1 0 382.258 2.974 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cncn3)o2)c(Br)c1 ZINC000409517791 563563721 /nfs/dbraw/zinc/56/37/21/563563721.db2.gz AFRUUVIBYBSGSE-UHFFFAOYSA-N 1 0 392.213 2.999 20 5 GFBDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842527 563712372 /nfs/dbraw/zinc/71/23/72/563712372.db2.gz SAHLEEKTFVVYLG-MRXNPFEDSA-N 1 0 397.273 2.825 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363117028 563714954 /nfs/dbraw/zinc/71/49/54/563714954.db2.gz CQPGIYGLPLSJGX-PJODQICGSA-N 1 0 394.269 2.914 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000366656521 563816672 /nfs/dbraw/zinc/81/66/72/563816672.db2.gz SRAKDOJOSHYUHV-INIZCTEOSA-N 1 0 395.257 2.924 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259647 563861753 /nfs/dbraw/zinc/86/17/53/563861753.db2.gz ZBTGMKJHNRTJAD-GFCCVEGCSA-N 1 0 384.274 2.700 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563497773 564193379 /nfs/dbraw/zinc/19/33/79/564193379.db2.gz CQFAXNHJHQRXQY-OAHLLOKOSA-N 1 0 383.246 2.965 20 5 GFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000507835869 564244036 /nfs/dbraw/zinc/24/40/36/564244036.db2.gz YAZDVNRATMUOIU-UHFFFAOYSA-N 1 0 378.397 2.501 20 5 GFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761515 564248431 /nfs/dbraw/zinc/24/84/31/564248431.db2.gz YEHLEAYZJUVSQZ-CYBMUJFWSA-N 1 0 378.210 2.696 20 5 GFBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000542508314 564316151 /nfs/dbraw/zinc/31/61/51/564316151.db2.gz FQMOMMZUAOZVSB-UHFFFAOYSA-N 1 0 387.278 2.974 20 5 GFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@@H]1C1CC1 ZINC000543236650 564343833 /nfs/dbraw/zinc/34/38/33/564343833.db2.gz VLKBEBOIYQULOW-HZPDHXFCSA-N 1 0 398.257 2.843 20 5 GFBDRO C[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@H]1C1CC1 ZINC000543236651 564343936 /nfs/dbraw/zinc/34/39/36/564343936.db2.gz VLKBEBOIYQULOW-JKSUJKDBSA-N 1 0 398.257 2.843 20 5 GFBDRO Cc1c(Br)cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000511833885 564383351 /nfs/dbraw/zinc/38/33/51/564383351.db2.gz IBPWTMYASDFZPO-OAHLLOKOSA-N 1 0 382.258 2.832 20 5 GFBDRO CC1=CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000546589029 564460129 /nfs/dbraw/zinc/46/01/29/564460129.db2.gz ZHMQMBOGPGZCMI-UHFFFAOYSA-N 1 0 382.258 2.668 20 5 GFBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622017 564460306 /nfs/dbraw/zinc/46/03/06/564460306.db2.gz ANZDOOWGKLYPEB-RNCFNFMXSA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000480196067 564463334 /nfs/dbraw/zinc/46/33/34/564463334.db2.gz LABYTWSRAHLSOE-LLVKDONJSA-N 1 0 383.392 2.584 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(CCO)CCC2)c1 ZINC000572208384 564585418 /nfs/dbraw/zinc/58/54/18/564585418.db2.gz KHDXVCXGHDMOES-UHFFFAOYSA-N 1 0 390.221 2.842 20 5 GFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456383907 564604286 /nfs/dbraw/zinc/60/42/86/564604286.db2.gz PWXFNHWQPXTEGY-ZDUSSCGKSA-N 1 0 384.274 2.843 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(CCO)CCCC2)c1 ZINC000521319677 564624953 /nfs/dbraw/zinc/62/49/53/564624953.db2.gz HPCHZWNMLZKCLL-UHFFFAOYSA-N 1 0 390.221 2.984 20 5 GFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000553336450 564716378 /nfs/dbraw/zinc/71/63/78/564716378.db2.gz STSVXCIDNHDFJY-AWEZNQCLSA-N 1 0 384.274 2.890 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000490533782 564775817 /nfs/dbraw/zinc/77/58/17/564775817.db2.gz GTYUCPKJISXADA-CQSZACIVSA-N 1 0 394.280 2.618 20 5 GFBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000490860691 564783282 /nfs/dbraw/zinc/78/32/82/564783282.db2.gz SVPDPSPLVRSIQT-OLZOCXBDSA-N 1 0 377.388 2.731 20 5 GFBDRO COC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000583528460 564895840 /nfs/dbraw/zinc/89/58/40/564895840.db2.gz VXGYEAGQGMCEBK-CYBMUJFWSA-N 1 0 378.210 2.960 20 5 GFBDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537637422 565060401 /nfs/dbraw/zinc/06/04/01/565060401.db2.gz JVLZAZXNWWRFAT-LBPRGKRZSA-N 1 0 381.479 2.576 20 5 GFBDRO CCC(CC)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589254291 565157262 /nfs/dbraw/zinc/15/72/62/565157262.db2.gz JSROJDKDUHDRDB-UHFFFAOYSA-N 1 0 378.210 2.840 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)c(I)c1 ZINC000592357158 565271203 /nfs/dbraw/zinc/27/12/03/565271203.db2.gz RMEZVZBKGJSFBD-SNVBAGLBSA-N 1 0 386.149 2.674 20 5 GFBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1C ZINC000593188458 565318791 /nfs/dbraw/zinc/31/87/91/565318791.db2.gz HXHFNSAFYQFFNL-TUAOUCFPSA-N 1 0 384.274 2.839 20 5 GFBDRO CC1(C)C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000594953884 565436956 /nfs/dbraw/zinc/43/69/56/565436956.db2.gz KGJKGQSLUMVYHS-LLVKDONJSA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@@]1(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC[NH2+]C1 ZINC000595991833 565504878 /nfs/dbraw/zinc/50/48/78/565504878.db2.gz LSJPFRNFWGZYJN-OAHLLOKOSA-N 1 0 384.223 2.569 20 5 GFBDRO O=[N+]([O-])c1sc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000602482199 565850991 /nfs/dbraw/zinc/85/09/91/565850991.db2.gz NZGHDYVLZBHUMU-LLVKDONJSA-N 1 0 390.303 2.573 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000602480298 565851598 /nfs/dbraw/zinc/85/15/98/565851598.db2.gz FTMDRFHPKXRXFF-WCQYABFASA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c(Br)c(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603401209 565902564 /nfs/dbraw/zinc/90/25/64/565902564.db2.gz JIGQGUILVXBGCU-NSHDSACASA-N 1 0 399.289 2.750 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000603658873 565913236 /nfs/dbraw/zinc/91/32/36/565913236.db2.gz KCFSDJZTGXMIEI-NWDGAFQWSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000603958699 565920525 /nfs/dbraw/zinc/92/05/25/565920525.db2.gz LGDKGJVXKJDREK-LLVKDONJSA-N 1 0 375.878 2.567 20 5 GFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609352658 566037209 /nfs/dbraw/zinc/03/72/09/566037209.db2.gz BYCAYZQATKVSSU-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738368970 598944709 /nfs/dbraw/zinc/94/47/09/598944709.db2.gz GSLHHFCDKRZCIT-INIZCTEOSA-N 1 0 379.424 2.851 20 5 GFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736290963 598976643 /nfs/dbraw/zinc/97/66/43/598976643.db2.gz SMBZBSYTPBJKQD-HNNXBMFYSA-N 1 0 393.451 2.876 20 5 GFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCCCC2)c(-c2nn[nH]n2)c1 ZINC000823651690 599200848 /nfs/dbraw/zinc/20/08/48/599200848.db2.gz NOMUUNHWACGVSQ-UHFFFAOYSA-N 1 0 386.460 2.771 20 5 GFBDRO C[NH+](C)C1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCCCC1 ZINC000736756050 599254647 /nfs/dbraw/zinc/25/46/47/599254647.db2.gz HRTOFFSKTDSPPY-UHFFFAOYSA-N 1 0 396.455 3.000 20 5 GFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399411 607553219 /nfs/dbraw/zinc/55/32/19/607553219.db2.gz SEJBIGLKGFXUKC-FZKQIMNGSA-N 1 0 382.424 2.891 20 5 GFBDRO C[C@@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820664511 606715846 /nfs/dbraw/zinc/71/58/46/606715846.db2.gz AZUXKOPIKUBEFS-UKRRQHHQSA-N 1 0 394.439 2.635 20 5 GFBDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826202125 608287068 /nfs/dbraw/zinc/28/70/68/608287068.db2.gz PAQIPVSPWFQVKI-CYBMUJFWSA-N 1 0 382.424 2.894 20 5 GFBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCCC1 ZINC000824426508 608370803 /nfs/dbraw/zinc/37/08/03/608370803.db2.gz GTLSLSIVKIIKNM-ZDUSSCGKSA-N 1 0 396.455 2.857 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1C[NH3+] ZINC000818023781 660214221 /nfs/dbraw/zinc/21/42/21/660214221.db2.gz MDPOWRKXORVBMX-BBBLOLIVSA-N 1 0 388.237 2.942 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818429622 660225746 /nfs/dbraw/zinc/22/57/46/660225746.db2.gz YMAYUKSHQAOEBS-GFCCVEGCSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000820629053 660301025 /nfs/dbraw/zinc/30/10/25/660301025.db2.gz FMZSIGXGJBGBOA-UHFFFAOYSA-N 1 0 384.274 2.906 20 5 GFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000824106179 660385431 /nfs/dbraw/zinc/38/54/31/660385431.db2.gz FNGYMRURESXPFR-PHIMTYICSA-N 1 0 386.221 2.853 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C[NH+]1CCCC1 ZINC000830082839 660633140 /nfs/dbraw/zinc/63/31/40/660633140.db2.gz SLPRQPBIGRLXJO-JTQLQIEISA-N 1 0 396.296 2.912 20 5 GFBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267932764 654952765 /nfs/dbraw/zinc/95/27/65/654952765.db2.gz OSNIXOAKTBDPED-VIFPVBQESA-N 1 0 386.221 2.711 20 5 GFBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530552 661090062 /nfs/dbraw/zinc/09/00/62/661090062.db2.gz ACBISZRXTKAEAA-CHWSQXEVSA-N 1 0 382.258 2.848 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000119575496 655307696 /nfs/dbraw/zinc/30/76/96/655307696.db2.gz HEUBUEKATMBZKT-GFCCVEGCSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cs1 ZINC000120118629 655328185 /nfs/dbraw/zinc/32/81/85/655328185.db2.gz DBKWMZKYSLZTJI-CYBMUJFWSA-N 1 0 379.463 2.830 20 5 GFBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262423396 655445624 /nfs/dbraw/zinc/44/56/24/655445624.db2.gz BWLRZCOFIOQCPJ-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755007715 655878379 /nfs/dbraw/zinc/87/83/79/655878379.db2.gz LILRISMHGIWEKT-LLVKDONJSA-N 1 0 376.226 2.812 20 5 GFBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC(C)C ZINC000759270328 655951558 /nfs/dbraw/zinc/95/15/58/655951558.db2.gz VJUZFEDSWHHINF-CYBMUJFWSA-N 1 0 375.466 2.769 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000841160239 661240002 /nfs/dbraw/zinc/24/00/02/661240002.db2.gz AJJPMFMKAVUAPF-UFGOTCBOSA-N 1 0 383.246 2.948 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000769381222 656272796 /nfs/dbraw/zinc/27/27/96/656272796.db2.gz MIVLLRRDWCQXRI-CQSZACIVSA-N 1 0 397.317 2.569 20 5 GFBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000778097439 656862787 /nfs/dbraw/zinc/86/27/87/656862787.db2.gz BFITVHBLBBDZBA-UHFFFAOYSA-N 1 0 375.516 2.931 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000784719620 657323742 /nfs/dbraw/zinc/32/37/42/657323742.db2.gz DGWWREKYPDPUOA-YPMHNXCESA-N 1 0 389.905 2.955 20 5 GFBDRO C[NH+]1CCC(CNC(=S)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000789358043 657841087 /nfs/dbraw/zinc/84/10/87/657841087.db2.gz JRFWFLNCPMQIOV-UHFFFAOYSA-N 1 0 387.303 2.986 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000796116035 658893903 /nfs/dbraw/zinc/89/39/03/658893903.db2.gz RPCQMGNGQFFXHA-STQMWFEESA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000798225679 659084623 /nfs/dbraw/zinc/08/46/23/659084623.db2.gz GXDDAMBRIXLSKP-MNOVXSKESA-N 1 0 393.868 2.786 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000798463841 659108888 /nfs/dbraw/zinc/10/88/88/659108888.db2.gz CWDRIVOQTDJGNH-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO O=C(N[C@H]1CCc2cncn2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000804334098 659635048 /nfs/dbraw/zinc/63/50/48/659635048.db2.gz YNKNISSWNYGRRS-VIFPVBQESA-N 1 0 399.632 2.952 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000809809296 659940501 /nfs/dbraw/zinc/94/05/01/659940501.db2.gz KTQPMVYFRHRFAF-NSHDSACASA-N 1 0 393.868 2.788 20 5 GFBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809836584 659947554 /nfs/dbraw/zinc/94/75/54/659947554.db2.gz OLESHLPXDHAUID-UHFFFAOYSA-N 1 0 384.285 2.910 20 5 GFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809843153 659948316 /nfs/dbraw/zinc/94/83/16/659948316.db2.gz KWSBKQAUMKIOAO-UHFFFAOYSA-N 1 0 393.868 2.884 20 5 GFBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811502039 660010670 /nfs/dbraw/zinc/01/06/70/660010670.db2.gz HDEAFFNFTFNAQF-TVQRCGJNSA-N 1 0 396.296 2.709 20 5 GFBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813451800 660054444 /nfs/dbraw/zinc/05/44/44/660054444.db2.gz RDGFMANLBMLUBI-LLVKDONJSA-N 1 0 389.283 2.657 20 5 GFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841923248 661317829 /nfs/dbraw/zinc/31/78/29/661317829.db2.gz ZMZDKRHVLXDGTO-NSHDSACASA-N 1 0 397.273 2.567 20 5 GFBDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[NH2+]1 ZINC000841985105 661318911 /nfs/dbraw/zinc/31/89/11/661318911.db2.gz JQOOGHKLSGWANP-MNOVXSKESA-N 1 0 397.273 2.566 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000842484275 661341632 /nfs/dbraw/zinc/34/16/32/661341632.db2.gz ZKECGAZFQWPYTE-ZIAGYGMSSA-N 1 0 387.889 2.852 20 5 GFBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000842825669 661356637 /nfs/dbraw/zinc/35/66/37/661356637.db2.gz WPNRQZWFVGPWJC-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000842894555 661359246 /nfs/dbraw/zinc/35/92/46/661359246.db2.gz SVTCAMGLAZKFRX-STQMWFEESA-N 1 0 387.889 2.567 20 5 GFBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000843152943 661371059 /nfs/dbraw/zinc/37/10/59/661371059.db2.gz UPDZPOPEFIDGLK-JTQLQIEISA-N 1 0 388.165 2.905 20 5 GFBDRO COCCOCCN1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000844467688 661421747 /nfs/dbraw/zinc/42/17/47/661421747.db2.gz FLXOOFVSWSMBEH-UHFFFAOYSA-N 1 0 392.283 2.682 20 5 GFBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850520719 661780951 /nfs/dbraw/zinc/78/09/51/661780951.db2.gz XBWIVDZVOGVXNR-SNVBAGLBSA-N 1 0 384.376 2.621 20 5 GFBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000861035076 662224878 /nfs/dbraw/zinc/22/48/78/662224878.db2.gz SAUZIZHBEUHIQQ-ZDUSSCGKSA-N 1 0 387.230 2.625 20 5 GFBDRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863574319 662336846 /nfs/dbraw/zinc/33/68/46/662336846.db2.gz ZTQCIVZGNHFODA-AWEZNQCLSA-N 1 0 382.214 2.584 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000864907142 662390419 /nfs/dbraw/zinc/39/04/19/662390419.db2.gz VZSKQYAARIJBBL-STQMWFEESA-N 1 0 382.258 2.643 20 5 GFBDRO CC(C)[N@@H+]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865144823 662400959 /nfs/dbraw/zinc/40/09/59/662400959.db2.gz WJUDRPKFKGITFR-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872022835 662754131 /nfs/dbraw/zinc/75/41/31/662754131.db2.gz LRUFOCCSCHGGRS-GFCCVEGCSA-N 1 0 375.516 2.639 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877360525 662874537 /nfs/dbraw/zinc/87/45/37/662874537.db2.gz MNCTWKMXJFJCRH-LDYMZIIASA-N 1 0 396.163 2.567 20 5 GFBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000877723826 662882529 /nfs/dbraw/zinc/88/25/29/662882529.db2.gz CKVUSHMYZXXFNT-UJVNDKKSSA-N 1 0 375.244 2.850 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271970 662922229 /nfs/dbraw/zinc/92/22/29/662922229.db2.gz JQKXRZGZAMKEDD-SJORKVTESA-N 1 0 395.253 2.888 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000881863858 663006725 /nfs/dbraw/zinc/00/67/25/663006725.db2.gz UFWLQALVKPPIKJ-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000890075217 663283525 /nfs/dbraw/zinc/28/35/25/663283525.db2.gz DLVLLUJPTFLGRP-UHFFFAOYSA-N 1 0 388.237 2.958 20 5 GFBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991684 663536305 /nfs/dbraw/zinc/53/63/05/663536305.db2.gz YRLOKBBKJHYVRE-RKDXNWHRSA-N 1 0 392.214 2.634 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCOC23CCOCC3)cc1Br ZINC000898116691 663634171 /nfs/dbraw/zinc/63/41/71/663634171.db2.gz USOOZFFTSUJDKM-NSHDSACASA-N 1 0 377.260 2.847 20 5 GFBDRO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903481321 663785505 /nfs/dbraw/zinc/78/55/05/663785505.db2.gz YWSAHPRJQOCDOE-GXSJLCMTSA-N 1 0 380.246 2.802 20 5 GFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000905360615 663867608 /nfs/dbraw/zinc/86/76/08/663867608.db2.gz UCRDCBOJKWFPLI-OAHLLOKOSA-N 1 0 387.889 2.647 20 5 GFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913285274 664331409 /nfs/dbraw/zinc/33/14/09/664331409.db2.gz SAZVHKMXMMYJAP-HZPDHXFCSA-N 1 0 382.258 2.771 20 5 GFBDRO COc1ccc(OCCN(C)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000917613786 664487246 /nfs/dbraw/zinc/48/72/46/664487246.db2.gz MIACOFJSZLVPSY-UHFFFAOYSA-N 1 0 385.218 2.531 20 5 GFBDRO Nc1c(Br)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000932238898 664815528 /nfs/dbraw/zinc/81/55/28/664815528.db2.gz UNQUGZHPNNZVEX-GFCCVEGCSA-N 1 0 397.273 2.640 20 5 GFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935975012 665002046 /nfs/dbraw/zinc/00/20/46/665002046.db2.gz DWJAYRPLLQBDFZ-GXFFZTMASA-N 1 0 397.273 2.638 20 5 GFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620463 719059256 /nfs/dbraw/zinc/05/92/56/719059256.db2.gz FFAYVAMSXYDUEN-QFBILLFUSA-N 1 0 396.447 2.877 20 5 GFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625846 719113398 /nfs/dbraw/zinc/11/33/98/719113398.db2.gz HEMJMSQGHWOHRG-APWZRJJASA-N 1 0 396.447 2.877 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815897 720135853 /nfs/dbraw/zinc/13/58/53/720135853.db2.gz XFALOKUGNOOKSL-FOIQADDNSA-N 1 0 385.468 2.656 20 5 GFBDRO O=[N+]([O-])c1ccc2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2c1 ZINC001164734101 720558450 /nfs/dbraw/zinc/55/84/50/720558450.db2.gz UNWNJYSRWVOJFR-UHFFFAOYSA-N 1 0 392.463 2.998 20 5 GFBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]2C1 ZINC001164853315 720843532 /nfs/dbraw/zinc/84/35/32/720843532.db2.gz OFSCHPKCOYENBW-UXHICEINSA-N 1 0 392.503 2.957 20 5 GFBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935152 721888499 /nfs/dbraw/zinc/88/84/99/721888499.db2.gz WRMPSFQGLZTFDX-QZTJIDSGSA-N 1 0 381.480 2.871 20 5 GFBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024086439 204817667 /nfs/dbraw/zinc/81/76/67/204817667.db2.gz USQKZRLEICAJIX-UHFFFAOYSA-N 1 0 381.436 2.552 20 5 GFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCS(=O)(=O)CC3)cs2)c1 ZINC000120748166 551221810 /nfs/dbraw/zinc/22/18/10/551221810.db2.gz IARYFTRKRCKDSI-UHFFFAOYSA-N 1 0 381.479 2.633 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cn2ccccc2n1 ZINC000151302682 551410856 /nfs/dbraw/zinc/41/08/56/551410856.db2.gz DBNSDBGOHWWELH-UHFFFAOYSA-N 1 0 389.209 2.864 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C2CCCC2)CC1 ZINC000154282620 551471399 /nfs/dbraw/zinc/47/13/99/551471399.db2.gz SZLADIWSTQEMDV-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000158564855 551553876 /nfs/dbraw/zinc/55/38/76/551553876.db2.gz BSVVGYQRWGLFME-LBPRGKRZSA-N 1 0 387.889 2.886 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])n1 ZINC000159142245 551561531 /nfs/dbraw/zinc/56/15/31/551561531.db2.gz VSSTVUVAEGMSHS-GFCCVEGCSA-N 1 0 378.479 2.978 20 5 GFBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176792702 552145848 /nfs/dbraw/zinc/14/58/48/552145848.db2.gz AYLCLSOPVTYTRJ-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@H]1CC[NH2+]C1 ZINC000179075438 552183742 /nfs/dbraw/zinc/18/37/42/552183742.db2.gz VXSVQCOKTDMECN-VIFPVBQESA-N 1 0 384.223 2.521 20 5 GFBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000180054055 552211131 /nfs/dbraw/zinc/21/11/31/552211131.db2.gz HMAKRFYWLDFGHN-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000181509889 552258979 /nfs/dbraw/zinc/25/89/79/552258979.db2.gz MJAFZYWNLCTEPH-CYBMUJFWSA-N 1 0 383.495 2.902 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000183712938 552317236 /nfs/dbraw/zinc/31/72/36/552317236.db2.gz SIBCZVMEQJVUBS-ZDUSSCGKSA-N 1 0 387.889 2.663 20 5 GFBDRO C[NH+](C)CC1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000185095761 552353914 /nfs/dbraw/zinc/35/39/14/552353914.db2.gz LWTNAPIZVBURIJ-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000186312279 552384979 /nfs/dbraw/zinc/38/49/79/552384979.db2.gz FJSWNPCPQZXRQH-UHFFFAOYSA-N 1 0 375.878 2.601 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186494052 552389108 /nfs/dbraw/zinc/38/91/08/552389108.db2.gz ZGXSQAUNGGYYFB-LBPRGKRZSA-N 1 0 382.258 2.643 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000236665106 553070424 /nfs/dbraw/zinc/07/04/24/553070424.db2.gz BGQAXUPBUBMLBJ-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246103196 553102429 /nfs/dbraw/zinc/10/24/29/553102429.db2.gz HPBPPBHJEXYSIB-QMTHXVAHSA-N 1 0 375.878 2.517 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000252657510 553150134 /nfs/dbraw/zinc/15/01/34/553150134.db2.gz ZYMQJWXJUVZSRI-GXTWGEPZSA-N 1 0 387.889 2.661 20 5 GFBDRO C[NH2+]CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000262089602 553166025 /nfs/dbraw/zinc/16/60/25/553166025.db2.gz RPNWAMORGSMELM-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO Cc1c(NC(=O)N2CCN(C3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280867547 563358221 /nfs/dbraw/zinc/35/82/21/563358221.db2.gz YOYRRFWWFJXYRO-UHFFFAOYSA-N 1 0 383.246 2.978 20 5 GFBDRO C[NH+]1CCC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000374296888 563367558 /nfs/dbraw/zinc/36/75/58/563367558.db2.gz QREDUGLXXLVRGD-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1cnc2n1CCCC2 ZINC000375390240 563402605 /nfs/dbraw/zinc/40/26/05/563402605.db2.gz JZDLJGWMZMQYQY-UHFFFAOYSA-N 1 0 393.241 2.749 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000425466093 563423942 /nfs/dbraw/zinc/42/39/42/563423942.db2.gz AXECEFZFEMJHCK-JKSUJKDBSA-N 1 0 385.258 2.767 20 5 GFBDRO Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000302677817 563427599 /nfs/dbraw/zinc/42/75/99/563427599.db2.gz NMNIVTDNPWFIGO-CYBMUJFWSA-N 1 0 384.274 2.824 20 5 GFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000376924816 563458879 /nfs/dbraw/zinc/45/88/79/563458879.db2.gz JMBHVJXFKBJNSM-UHFFFAOYSA-N 1 0 381.479 2.599 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)ccc1Cl ZINC000377955757 563492456 /nfs/dbraw/zinc/49/24/56/563492456.db2.gz OAPZSOKVCYWGPT-UHFFFAOYSA-N 1 0 387.889 2.685 20 5 GFBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000431072767 563552077 /nfs/dbraw/zinc/55/20/77/563552077.db2.gz ZTOXJSZTADKKHD-UHFFFAOYSA-N 1 0 399.289 2.760 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289025064 563665111 /nfs/dbraw/zinc/66/51/11/563665111.db2.gz CUXMWKWBPQAZAB-JTQLQIEISA-N 1 0 396.296 2.864 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000290788686 563721369 /nfs/dbraw/zinc/72/13/69/563721369.db2.gz QDQVNRYJHABZTA-SECBINFHSA-N 1 0 388.808 2.679 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290827911 563722634 /nfs/dbraw/zinc/72/26/34/563722634.db2.gz UHDOPTRGLCTCFR-SNVBAGLBSA-N 1 0 393.868 2.738 20 5 GFBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000440414367 563741349 /nfs/dbraw/zinc/74/13/49/563741349.db2.gz OLFSIMSSFITIQL-UFBFGSQYSA-N 1 0 382.269 2.650 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415700154 563792146 /nfs/dbraw/zinc/79/21/46/563792146.db2.gz LMSJLXFMECWLAD-UONOGXRCSA-N 1 0 383.246 2.867 20 5 GFBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000416552076 563846897 /nfs/dbraw/zinc/84/68/97/563846897.db2.gz HMSZKADXZPWVFZ-UHFFFAOYSA-N 1 0 389.524 2.779 20 5 GFBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416555129 563847973 /nfs/dbraw/zinc/84/79/73/563847973.db2.gz DQPFOCBGEMQLCI-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000416561938 563849523 /nfs/dbraw/zinc/84/95/23/563849523.db2.gz VKKLUJFRANEBDE-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000447244696 563877833 /nfs/dbraw/zinc/87/78/33/563877833.db2.gz KNMYQDYJHSAWHP-HLUHBDAQSA-N 1 0 394.280 2.650 20 5 GFBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000450922769 564254980 /nfs/dbraw/zinc/25/49/80/564254980.db2.gz OXKRLQHWUXLQLJ-UHFFFAOYSA-N 1 0 386.294 2.580 20 5 GFBDRO C[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567003031 564353445 /nfs/dbraw/zinc/35/34/45/564353445.db2.gz RUCCCEDUEHMQMZ-GWCFXTLKSA-N 1 0 389.237 2.772 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(Br)cs1 ZINC000568928053 564440472 /nfs/dbraw/zinc/44/04/72/564440472.db2.gz LOZIDVJFXRXROI-LLVKDONJSA-N 1 0 387.255 2.948 20 5 GFBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000569292265 564457170 /nfs/dbraw/zinc/45/71/70/564457170.db2.gz HOXFGDUUEWMPNP-UHFFFAOYSA-N 1 0 378.210 2.792 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000570608796 564513542 /nfs/dbraw/zinc/51/35/42/564513542.db2.gz NPBSOQZKJLDUQS-JTQLQIEISA-N 1 0 376.194 2.716 20 5 GFBDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000570917452 564527052 /nfs/dbraw/zinc/52/70/52/564527052.db2.gz FCFKZUZQODJEEC-GFCCVEGCSA-N 1 0 383.495 2.865 20 5 GFBDRO Cc1c(NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000572815301 564611081 /nfs/dbraw/zinc/61/10/81/564611081.db2.gz WXJPFPQPUUXYGG-YGRLFVJLSA-N 1 0 383.246 2.834 20 5 GFBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000523862566 564673934 /nfs/dbraw/zinc/67/39/34/564673934.db2.gz WGMMFNUEVXHOQY-AWEZNQCLSA-N 1 0 377.894 2.893 20 5 GFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554935073 564778061 /nfs/dbraw/zinc/77/80/61/564778061.db2.gz KVCQRMUKOYMJAO-WDEREUQCSA-N 1 0 389.237 2.724 20 5 GFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554935072 564778089 /nfs/dbraw/zinc/77/80/89/564778089.db2.gz KVCQRMUKOYMJAO-QWRGUYRKSA-N 1 0 389.237 2.724 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000466384156 564939534 /nfs/dbraw/zinc/93/95/34/564939534.db2.gz QZCGANVXWRTOJO-UHFFFAOYSA-N 1 0 383.857 2.706 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000501491004 564981319 /nfs/dbraw/zinc/98/13/19/564981319.db2.gz LDUBVBXJTMZTDZ-HNNXBMFYSA-N 1 0 380.853 2.779 20 5 GFBDRO Cc1cc(NCc2ccc(S(C)(=O)=O)s2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000468612919 564987861 /nfs/dbraw/zinc/98/78/61/564987861.db2.gz STOGIXZYGJTNAR-UHFFFAOYSA-N 1 0 377.447 2.950 20 5 GFBDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315663 565161930 /nfs/dbraw/zinc/16/19/30/565161930.db2.gz NLPCPDNQZROWBE-ZDUSSCGKSA-N 1 0 378.210 2.840 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304539 565222657 /nfs/dbraw/zinc/22/26/57/565222657.db2.gz IXYMVFHAHVWLJM-GWCFXTLKSA-N 1 0 383.246 2.881 20 5 GFBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593188457 565318502 /nfs/dbraw/zinc/31/85/02/565318502.db2.gz HXHFNSAFYQFFNL-QJPTWQEYSA-N 1 0 384.274 2.839 20 5 GFBDRO C[C@H](O)C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000594063007 565374281 /nfs/dbraw/zinc/37/42/81/565374281.db2.gz HQPPLOKTQUVEFR-VIFPVBQESA-N 1 0 376.194 2.545 20 5 GFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCn1cc(Br)ccc1=O ZINC000595041475 565445167 /nfs/dbraw/zinc/44/51/67/565445167.db2.gz LXJQHFOFGIMYLC-LLVKDONJSA-N 1 0 396.241 2.878 20 5 GFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000597716672 565572190 /nfs/dbraw/zinc/57/21/90/565572190.db2.gz RLBZIFBXMJJEJT-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO C[NH+]1CCC2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000599947123 565707650 /nfs/dbraw/zinc/70/76/50/565707650.db2.gz QYNMWHCKZVVCBB-UHFFFAOYSA-N 1 0 382.258 2.915 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000602496616 565852734 /nfs/dbraw/zinc/85/27/34/565852734.db2.gz OKCMOXIJHOPTGM-NEPJUHHUSA-N 1 0 382.258 2.819 20 5 GFBDRO COCC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602670488 565862665 /nfs/dbraw/zinc/86/26/65/565862665.db2.gz DPYINKGHTBTYMJ-UHFFFAOYSA-N 1 0 379.276 2.952 20 5 GFBDRO C[NH+](C)CCC[C@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602716910 565864786 /nfs/dbraw/zinc/86/47/86/565864786.db2.gz UYFDPHBXUIQESY-NSHDSACASA-N 1 0 392.319 2.961 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000603640466 565912827 /nfs/dbraw/zinc/91/28/27/565912827.db2.gz DOKHJHRYFZCXOH-NWDGAFQWSA-N 1 0 375.878 2.789 20 5 GFBDRO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609620262 566047988 /nfs/dbraw/zinc/04/79/88/566047988.db2.gz YRMQTJSCQHIUSB-OAHLLOKOSA-N 1 0 397.317 2.962 20 5 GFBDRO Cc1c(Br)c(NC2CC[NH+]([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000612449093 566163358 /nfs/dbraw/zinc/16/33/58/566163358.db2.gz YPONSVSRKJJFEO-LBPRGKRZSA-N 1 0 385.262 2.726 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599346 599060548 /nfs/dbraw/zinc/06/05/48/599060548.db2.gz PNUITFFXVBXLAG-CYBMUJFWSA-N 1 0 396.455 2.634 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705587 599476577 /nfs/dbraw/zinc/47/65/77/599476577.db2.gz VNYSTYYHOXGQPM-LBPRGKRZSA-N 1 0 382.428 2.609 20 5 GFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826499016 607449452 /nfs/dbraw/zinc/44/94/52/607449452.db2.gz RWPPIIXTVOHDJX-UHFFFAOYSA-N 1 0 379.424 2.851 20 5 GFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820227099 607012228 /nfs/dbraw/zinc/01/22/28/607012228.db2.gz YIRPBNOQBXFRIH-OLZOCXBDSA-N 1 0 395.423 2.843 20 5 GFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820227101 607012292 /nfs/dbraw/zinc/01/22/92/607012292.db2.gz YIRPBNOQBXFRIH-STQMWFEESA-N 1 0 395.423 2.843 20 5 GFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826498105 608173704 /nfs/dbraw/zinc/17/37/04/608173704.db2.gz HREOVBKOLBJRSI-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO CC[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825144359 608552021 /nfs/dbraw/zinc/55/20/21/608552021.db2.gz ZCCJEXIEPMGFAH-CYBMUJFWSA-N 1 0 387.425 2.516 20 5 GFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825765217 660441207 /nfs/dbraw/zinc/44/12/07/660441207.db2.gz VFDMDNCNTZAJDM-GHMZBOCLSA-N 1 0 385.262 2.745 20 5 GFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831187268 660702210 /nfs/dbraw/zinc/70/22/10/660702210.db2.gz FJGQLYKPXLLOIQ-SECBINFHSA-N 1 0 384.285 2.910 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000123854620 654765117 /nfs/dbraw/zinc/76/51/17/654765117.db2.gz QCRQWPGYQOKLSR-LBPRGKRZSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000063518975 654853886 /nfs/dbraw/zinc/85/38/86/654853886.db2.gz KKERLWXQDLASPE-LBPRGKRZSA-N 1 0 389.905 2.955 20 5 GFBDRO CN1CCC([NH+]2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000268520403 654976000 /nfs/dbraw/zinc/97/60/00/654976000.db2.gz ZVSHKCRTNIPRSJ-UHFFFAOYSA-N 1 0 398.305 2.723 20 5 GFBDRO C[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000269709350 655018080 /nfs/dbraw/zinc/01/80/80/655018080.db2.gz UHKGGPAVJDORKN-UHFFFAOYSA-N 1 0 376.638 2.835 20 5 GFBDRO CC(C)[NH+]1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097474267 655035307 /nfs/dbraw/zinc/03/53/07/655035307.db2.gz YVONIDCAWMWZGI-UHFFFAOYSA-N 1 0 375.210 2.730 20 5 GFBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000270880830 655058907 /nfs/dbraw/zinc/05/89/07/655058907.db2.gz DPTAFEITPCTXCD-LLVKDONJSA-N 1 0 385.262 2.665 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273147734 655132109 /nfs/dbraw/zinc/13/21/09/655132109.db2.gz WJOFMIABSDOBIJ-HOTGVXAUSA-N 1 0 381.226 2.714 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173920277 655185658 /nfs/dbraw/zinc/18/56/58/655185658.db2.gz JXYCBTCMOYVEEC-GFCCVEGCSA-N 1 0 399.289 2.569 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)ccc1Br ZINC000261904784 655442805 /nfs/dbraw/zinc/44/28/05/655442805.db2.gz XCCWFGVEBDUSTF-MRXNPFEDSA-N 1 0 377.242 2.899 20 5 GFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000576377926 655446211 /nfs/dbraw/zinc/44/62/11/655446211.db2.gz BTTDMQOHUMMPOR-LLVKDONJSA-N 1 0 375.267 2.565 20 5 GFBDRO CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC([NH3+])C1 ZINC000577491903 655460865 /nfs/dbraw/zinc/46/08/65/655460865.db2.gz SZSTUIPNEPFGSK-UHFFFAOYSA-N 1 0 384.223 2.649 20 5 GFBDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577812475 655467658 /nfs/dbraw/zinc/46/76/58/655467658.db2.gz FBVMWZSDTVUFMG-LRDDRELGSA-N 1 0 397.273 2.526 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000733796312 655621076 /nfs/dbraw/zinc/62/10/76/655621076.db2.gz IAWYZVOMDKDKEO-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000759141007 655948941 /nfs/dbraw/zinc/94/89/41/655948941.db2.gz ONNCJZMOEADGKR-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000768304242 656236733 /nfs/dbraw/zinc/23/67/33/656236733.db2.gz VMDLMCWKXCDMBL-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160739 661240148 /nfs/dbraw/zinc/24/01/48/661240148.db2.gz FWLPVLIRKNSQAK-KCJUWKMLSA-N 1 0 387.234 2.592 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768810195 656252191 /nfs/dbraw/zinc/25/21/91/656252191.db2.gz DRCYSQKDUQJNGL-VXGBXAGGSA-N 1 0 375.516 2.691 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779905740 656962592 /nfs/dbraw/zinc/96/25/92/656962592.db2.gz MWNFJVQUPGZTAL-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000783724026 657254718 /nfs/dbraw/zinc/25/47/18/657254718.db2.gz SOJXDKVHDRRRDQ-GFCCVEGCSA-N 1 0 386.290 2.634 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000795774636 658848805 /nfs/dbraw/zinc/84/88/05/658848805.db2.gz GWESUDKIVNQWCB-UHFFFAOYSA-N 1 0 379.841 2.542 20 5 GFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798166656 659078014 /nfs/dbraw/zinc/07/80/14/659078014.db2.gz DUOMAVKWVMGKPL-NSHDSACASA-N 1 0 385.262 2.603 20 5 GFBDRO CC(C)[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+](C)C ZINC000803547425 659588658 /nfs/dbraw/zinc/58/86/58/659588658.db2.gz YEYVHARUYHSBRO-HNNXBMFYSA-N 1 0 384.274 2.828 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809806235 659939922 /nfs/dbraw/zinc/93/99/22/659939922.db2.gz HJKXNWZTANJUIE-NSHDSACASA-N 1 0 393.868 2.930 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809815407 659941375 /nfs/dbraw/zinc/94/13/75/659941375.db2.gz GWTFJWLJVNULBC-VIFPVBQESA-N 1 0 382.269 2.522 20 5 GFBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811502040 660010675 /nfs/dbraw/zinc/01/06/75/660010675.db2.gz HDEAFFNFTFNAQF-ZANVPECISA-N 1 0 396.296 2.709 20 5 GFBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813442620 660054145 /nfs/dbraw/zinc/05/41/45/660054145.db2.gz CZPLCPWGQLWZMH-LLVKDONJSA-N 1 0 376.240 2.742 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000841546102 661295384 /nfs/dbraw/zinc/29/53/84/661295384.db2.gz HIVQPVAPNCDUSK-LBPRGKRZSA-N 1 0 375.878 2.567 20 5 GFBDRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000843458089 661382140 /nfs/dbraw/zinc/38/21/40/661382140.db2.gz SVVIIOCXZFAOAA-UHFFFAOYSA-N 1 0 394.229 2.731 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849411455 661718125 /nfs/dbraw/zinc/71/81/25/661718125.db2.gz JKKJDNUEGMSNJF-NSHDSACASA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849418776 661720278 /nfs/dbraw/zinc/72/02/78/661720278.db2.gz HMTSQHSBYLXXBM-LLVKDONJSA-N 1 0 375.878 2.708 20 5 GFBDRO C[NH+]1CCC(CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865084916 662397956 /nfs/dbraw/zinc/39/79/56/662397956.db2.gz IHKXBBJUSWUNCK-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865718099 662438600 /nfs/dbraw/zinc/43/86/00/662438600.db2.gz VEMFXIYGGAHXFI-ZDUSSCGKSA-N 1 0 382.258 2.595 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865893979 662449703 /nfs/dbraw/zinc/44/97/03/662449703.db2.gz GHRIGXHOFZETIZ-CYBMUJFWSA-N 1 0 384.274 2.700 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC12CCC[NH+]1CCC2 ZINC000867938176 662588209 /nfs/dbraw/zinc/58/82/09/662588209.db2.gz ZZQOUBDGOYIPRU-UHFFFAOYSA-N 1 0 382.258 2.644 20 5 GFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868280663 662600439 /nfs/dbraw/zinc/60/04/39/662600439.db2.gz GJJBVRBRKYBTDJ-TZMCWYRMSA-N 1 0 396.285 2.985 20 5 GFBDRO CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000872743901 662787647 /nfs/dbraw/zinc/78/76/47/662787647.db2.gz LVOUORLJUSQEDN-UHFFFAOYSA-N 1 0 388.310 2.811 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000873227195 662804190 /nfs/dbraw/zinc/80/41/90/662804190.db2.gz IAWXDEUBPNSYFZ-WCBMZHEXSA-N 1 0 382.180 2.926 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246674 662872498 /nfs/dbraw/zinc/87/24/98/662872498.db2.gz LPCKOZRZTNQHNQ-LMKPVCQUSA-N 1 0 382.258 2.547 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877363047 662874605 /nfs/dbraw/zinc/87/46/05/662874605.db2.gz AZMCTOHFAWYJJV-GMSGAONNSA-N 1 0 396.163 2.567 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3ccc(Br)c(F)c3)C2)c1 ZINC000877545972 662878682 /nfs/dbraw/zinc/87/86/82/662878682.db2.gz NHGSXMVSXTUZEU-QKFMDRJYSA-N 1 0 399.220 2.720 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3ccccc3Br)C2)c1 ZINC000877576786 662879352 /nfs/dbraw/zinc/87/93/52/662879352.db2.gz PLEHXQZOLSKMER-NWHVRFAMSA-N 1 0 381.230 2.581 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000881931854 663010308 /nfs/dbraw/zinc/01/03/08/663010308.db2.gz DGTLUSOEDPSHGP-VXGBXAGGSA-N 1 0 375.878 2.660 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882770147 663041324 /nfs/dbraw/zinc/04/13/24/663041324.db2.gz ZXROSMYOACOZCK-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880708 663623438 /nfs/dbraw/zinc/62/34/38/663623438.db2.gz MKFLYXXETFKDPP-SECBINFHSA-N 1 0 394.230 2.617 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923408380 664630055 /nfs/dbraw/zinc/63/00/55/664630055.db2.gz CKJVRDPSAHETHC-MRXNPFEDSA-N 1 0 398.301 2.948 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C(F)(F)F ZINC000923428293 664630309 /nfs/dbraw/zinc/63/03/09/664630309.db2.gz XGMOCXGXJGFYQM-ONGXEEELSA-N 1 0 382.180 2.926 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932208753 664813645 /nfs/dbraw/zinc/81/36/45/664813645.db2.gz HQTFVACJYQLSCJ-CQSZACIVSA-N 1 0 394.225 2.632 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816410 720101379 /nfs/dbraw/zinc/10/13/79/720101379.db2.gz YQWIFOZWLJXTIN-KSSFIOAISA-N 1 0 380.876 2.828 20 5 GFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165011587 721735022 /nfs/dbraw/zinc/73/50/22/721735022.db2.gz RVHLJDAAGRYHHB-UHFFFAOYSA-N 1 0 397.479 2.666 20 5 GFBDRO COc1ncnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165026866 721812448 /nfs/dbraw/zinc/81/24/48/721812448.db2.gz RUUJNSBURIFOKC-USXIJHARSA-N 1 0 398.467 2.525 20 5 GFBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001164925990 721873330 /nfs/dbraw/zinc/87/33/30/721873330.db2.gz PNDLLMRKFMVKST-RTBURBONSA-N 1 0 396.495 2.575 20 5 GFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996255 722203632 /nfs/dbraw/zinc/20/36/32/722203632.db2.gz SFAXOIYHQGVSJT-HXUWFJFHSA-N 1 0 386.427 2.921 20 5 GFBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCCC1 ZINC000121934034 551292989 /nfs/dbraw/zinc/29/29/89/551292989.db2.gz DRBIWQZQGWENRT-UHFFFAOYSA-N 1 0 381.376 2.554 20 5 GFBDRO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000122486472 551298827 /nfs/dbraw/zinc/29/88/27/551298827.db2.gz BDEJSTOEHSMEDQ-ZDUSSCGKSA-N 1 0 382.258 2.880 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Br)c1 ZINC000132821027 551379221 /nfs/dbraw/zinc/37/92/21/551379221.db2.gz OHWASNMCNKYKIK-LSDHHAIUSA-N 1 0 399.289 2.932 20 5 GFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000152559968 551435302 /nfs/dbraw/zinc/43/53/02/551435302.db2.gz DICNMSBMOJXGRJ-VIFPVBQESA-N 1 0 376.638 2.835 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160161778 551576204 /nfs/dbraw/zinc/57/62/04/551576204.db2.gz NBDGJKACWQWBTO-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173955161 552095939 /nfs/dbraw/zinc/09/59/39/552095939.db2.gz LBTQNGRKVNBQBM-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180570498 552230090 /nfs/dbraw/zinc/23/00/90/552230090.db2.gz CGDLLBCYJFBTIX-GFCCVEGCSA-N 1 0 382.258 2.915 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000248733459 553133994 /nfs/dbraw/zinc/13/39/94/553133994.db2.gz BINKVOJYPRBBPE-WCQYABFASA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291609 563240527 /nfs/dbraw/zinc/24/05/27/563240527.db2.gz UEDILRKSBQVPGO-ONGXEEELSA-N 1 0 396.296 2.862 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370382290 563242096 /nfs/dbraw/zinc/24/20/96/563242096.db2.gz RNCGACWNYWYNJB-MLGOLLRUSA-N 1 0 381.479 2.628 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000371891607 563290545 /nfs/dbraw/zinc/29/05/45/563290545.db2.gz JYDCRUOTFPDURW-CJNGLKHVSA-N 1 0 395.257 2.752 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000422639135 563345264 /nfs/dbraw/zinc/34/52/64/563345264.db2.gz SEMDJQXZFFGFPV-UTUOFQBUSA-N 1 0 399.289 2.601 20 5 GFBDRO CC(C)(CC[NH3+])NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000424046888 563367790 /nfs/dbraw/zinc/36/77/90/563367790.db2.gz MJENJUDUKDATAU-UHFFFAOYSA-N 1 0 386.239 2.945 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000425396456 563420945 /nfs/dbraw/zinc/42/09/45/563420945.db2.gz AYQIWUVGRQTHAE-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000327464692 563458476 /nfs/dbraw/zinc/45/84/76/563458476.db2.gz XNAIAKITIIEZKY-NSHDSACASA-N 1 0 381.841 2.890 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332601865 563606431 /nfs/dbraw/zinc/60/64/31/563606431.db2.gz DBCKHSLDAFCTPC-JQWIXIFHSA-N 1 0 383.246 2.881 20 5 GFBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000435226796 563645745 /nfs/dbraw/zinc/64/57/45/563645745.db2.gz OAAUTBRUYDUWNU-JTQLQIEISA-N 1 0 382.269 2.616 20 5 GFBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000440352306 563739963 /nfs/dbraw/zinc/73/99/63/563739963.db2.gz FUYWBCBQOUSRGF-MRVPVSSYSA-N 1 0 382.269 2.650 20 5 GFBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365539518 563786129 /nfs/dbraw/zinc/78/61/29/563786129.db2.gz PZRFOVKVSAYLHG-GZBFAFLISA-N 1 0 394.269 2.914 20 5 GFBDRO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000567284229 564364625 /nfs/dbraw/zinc/36/46/25/564364625.db2.gz IMEJBOFAHLMPAC-JTQLQIEISA-N 1 0 389.237 2.772 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2sccc2Cl)c([N+](=O)[O-])c1 ZINC000569038890 564446400 /nfs/dbraw/zinc/44/64/00/564446400.db2.gz LHGDOXQNACPEFI-UHFFFAOYSA-N 1 0 389.886 2.679 20 5 GFBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622016 564460581 /nfs/dbraw/zinc/46/05/81/564460581.db2.gz ANZDOOWGKLYPEB-NOZJJQNGSA-N 1 0 376.194 2.857 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(Br)cc2)c1 ZINC000519596125 564583674 /nfs/dbraw/zinc/58/36/74/564583674.db2.gz JTODNFAPMMXWHQ-MRXNPFEDSA-N 1 0 395.253 2.929 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000485183299 564608893 /nfs/dbraw/zinc/60/88/93/564608893.db2.gz QBBSGTSWTKCFEI-UHFFFAOYSA-N 1 0 399.289 2.691 20 5 GFBDRO CN1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000520974064 564616824 /nfs/dbraw/zinc/61/68/24/564616824.db2.gz QMMSNIHNHSCUOV-SNVBAGLBSA-N 1 0 394.225 2.938 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575749960 564703133 /nfs/dbraw/zinc/70/31/33/564703133.db2.gz HJLVCFWQXRBDAJ-KBPBESRZSA-N 1 0 396.285 2.748 20 5 GFBDRO [NH3+]CCCOC1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000576943416 564721915 /nfs/dbraw/zinc/72/19/15/564721915.db2.gz GSJFZWRLXHCIDK-UHFFFAOYSA-N 1 0 387.889 2.697 20 5 GFBDRO [NH3+]CCN(Cc1cnc2ccc(Br)cn12)c1ccccc1[N+](=O)[O-] ZINC000554875953 564775816 /nfs/dbraw/zinc/77/58/16/564775816.db2.gz ZJFIMLFQZDPNCB-UHFFFAOYSA-N 1 0 390.241 2.970 20 5 GFBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500144983 564946911 /nfs/dbraw/zinc/94/69/11/564946911.db2.gz KFJACYWAQGPGRC-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1sc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000466843529 564948673 /nfs/dbraw/zinc/94/86/73/564948673.db2.gz FVRWRQPEVSBZQJ-UHFFFAOYSA-N 1 0 383.495 2.547 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467047024 564953982 /nfs/dbraw/zinc/95/39/82/564953982.db2.gz AKYINXSNROLUNV-IJLUTSLNSA-N 1 0 375.516 2.609 20 5 GFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467798125 564973469 /nfs/dbraw/zinc/97/34/69/564973469.db2.gz LHCXQAVQCFGUFG-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614169 565050722 /nfs/dbraw/zinc/05/07/22/565050722.db2.gz TWLOJQDNYRIAQT-FRRDWIJNSA-N 1 0 389.905 2.893 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165264 565180146 /nfs/dbraw/zinc/18/01/46/565180146.db2.gz BDVIYLUXVPYWHB-INIZCTEOSA-N 1 0 387.889 2.663 20 5 GFBDRO Cc1c(Br)c(=O)n(C[C@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000592163911 565262390 /nfs/dbraw/zinc/26/23/90/565262390.db2.gz HXQDRKOSXJSWTJ-NSHDSACASA-N 1 0 384.205 2.709 20 5 GFBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592365992 565272921 /nfs/dbraw/zinc/27/29/21/565272921.db2.gz OVMMHWXHXVSXSM-GXSJLCMTSA-N 1 0 381.376 2.504 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000595231939 565456901 /nfs/dbraw/zinc/45/69/01/565456901.db2.gz JQJDHSLEQIDFCI-NXEZZACHSA-N 1 0 375.198 2.569 20 5 GFBDRO Cc1c(Br)c(=O)n(Cc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000596072170 565512133 /nfs/dbraw/zinc/51/21/33/565512133.db2.gz YILBGYLRXDNNLY-UHFFFAOYSA-N 1 0 378.226 2.521 20 5 GFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422759 565782498 /nfs/dbraw/zinc/78/24/98/565782498.db2.gz YGLOOQWZIUTDQJ-KCJUWKMLSA-N 1 0 382.269 2.615 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603658874 565913116 /nfs/dbraw/zinc/91/31/16/565913116.db2.gz KCFSDJZTGXMIEI-VXGBXAGGSA-N 1 0 389.905 2.955 20 5 GFBDRO CC[C@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610805437 566099814 /nfs/dbraw/zinc/09/98/14/566099814.db2.gz ZPNGWQACXNSHAO-CYBMUJFWSA-N 1 0 383.495 2.546 20 5 GFBDRO Cc1c(Br)c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000612444826 566162064 /nfs/dbraw/zinc/16/20/64/566162064.db2.gz TXRBFXLCKDGJBM-LBPRGKRZSA-N 1 0 398.305 2.641 20 5 GFBDRO Cc1c(Br)c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000612444825 566162607 /nfs/dbraw/zinc/16/26/07/566162607.db2.gz TXRBFXLCKDGJBM-GFCCVEGCSA-N 1 0 398.305 2.641 20 5 GFBDRO C[NH+](C)[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000736758799 599254130 /nfs/dbraw/zinc/25/41/30/599254130.db2.gz ILRRMESJHPKHDS-OAHLLOKOSA-N 1 0 394.395 2.631 20 5 GFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736213554 598246058 /nfs/dbraw/zinc/24/60/58/598246058.db2.gz KFCOEQQREGZPOV-UHFFFAOYSA-N 1 0 393.451 2.876 20 5 GFBDRO Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000822242450 606136984 /nfs/dbraw/zinc/13/69/84/606136984.db2.gz LJMYWBJKJRLFAZ-UHFFFAOYSA-N 1 0 393.451 2.796 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000823645915 607071744 /nfs/dbraw/zinc/07/17/44/607071744.db2.gz VVGLZCFDABFVOH-UHFFFAOYSA-N 1 0 398.398 2.957 20 5 GFBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nn[nH]n1 ZINC000826201917 608286584 /nfs/dbraw/zinc/28/65/84/608286584.db2.gz IEKIEDMFYMSJNV-QGZVFWFLSA-N 1 0 394.435 2.894 20 5 GFBDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826341249 608471170 /nfs/dbraw/zinc/47/11/70/608471170.db2.gz BNOBIQPSUOCVJW-QWRGUYRKSA-N 1 0 399.411 2.663 20 5 GFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826211956 608509498 /nfs/dbraw/zinc/50/94/98/608509498.db2.gz BNVNBAIGRKBFAA-KRWDZBQOSA-N 1 0 380.408 2.951 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000817863591 660211036 /nfs/dbraw/zinc/21/10/36/660211036.db2.gz GKXHIRYPNPROIH-USWWRNFRSA-N 1 0 375.878 2.551 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302092 660488077 /nfs/dbraw/zinc/48/80/77/660488077.db2.gz SUCWCYLUFQVDJN-BXUZGUMPSA-N 1 0 382.258 2.832 20 5 GFBDRO O=C(C[N@H+](C[C@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052752901 654738820 /nfs/dbraw/zinc/73/88/20/654738820.db2.gz IDEASBDMUYWGRP-LLVKDONJSA-N 1 0 398.257 2.797 20 5 GFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCCC1 ZINC000123438510 654755833 /nfs/dbraw/zinc/75/58/33/654755833.db2.gz MOYIMZFKPBNDNO-GFCCVEGCSA-N 1 0 384.274 2.748 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000123854384 654765097 /nfs/dbraw/zinc/76/50/97/654765097.db2.gz QCRQWPGYQOKLSR-GFCCVEGCSA-N 1 0 375.878 2.567 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000267214700 654917844 /nfs/dbraw/zinc/91/78/44/654917844.db2.gz IBLVICYDMJJEPA-LLVKDONJSA-N 1 0 385.262 2.665 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000272554790 655116135 /nfs/dbraw/zinc/11/61/35/655116135.db2.gz RLNYRUBWJPWSEM-GFCCVEGCSA-N 1 0 389.905 2.907 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173917620 655185442 /nfs/dbraw/zinc/18/54/42/655185442.db2.gz QZZSVOFIBCRMQG-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178642938 655307010 /nfs/dbraw/zinc/30/70/10/655307010.db2.gz HPZDHWLPEQVJHC-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000596177216 655514584 /nfs/dbraw/zinc/51/45/84/655514584.db2.gz CSHQKCNHYDRZFV-UKRRQHHQSA-N 1 0 397.317 2.820 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000725828083 655527323 /nfs/dbraw/zinc/52/73/23/655527323.db2.gz VCIDPYFCKVHBIK-GFCCVEGCSA-N 1 0 375.878 2.647 20 5 GFBDRO CC[C@H](CN1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000751227808 655823286 /nfs/dbraw/zinc/82/32/86/655823286.db2.gz LCTSJVWSXAOMPW-LLVKDONJSA-N 1 0 377.413 2.877 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754994527 655878100 /nfs/dbraw/zinc/87/81/00/655878100.db2.gz QJNPNQWAXDQYKW-SNVBAGLBSA-N 1 0 388.237 2.958 20 5 GFBDRO C[NH+](C)CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000755006953 655878309 /nfs/dbraw/zinc/87/83/09/655878309.db2.gz HVHDWYOPIYFUDN-UHFFFAOYSA-N 1 0 388.237 2.910 20 5 GFBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000775593659 656652591 /nfs/dbraw/zinc/65/25/91/656652591.db2.gz PTVXKCIHXNBATQ-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000780715725 657025240 /nfs/dbraw/zinc/02/52/40/657025240.db2.gz NTIXBZQEHSWEKG-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1ccc(N2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])c1Br ZINC000787898593 657618492 /nfs/dbraw/zinc/61/84/92/657618492.db2.gz KLGRNRISIDSUNW-UHFFFAOYSA-N 1 0 386.290 2.949 20 5 GFBDRO C[N@H+](CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000790772213 658021205 /nfs/dbraw/zinc/02/12/05/658021205.db2.gz XOMZVBWVWJMSIS-UHFFFAOYSA-N 1 0 397.273 2.519 20 5 GFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790770534 658021261 /nfs/dbraw/zinc/02/12/61/658021261.db2.gz RLVFIOSPQUGPHA-LLVKDONJSA-N 1 0 397.273 2.519 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000790936956 658047771 /nfs/dbraw/zinc/04/77/71/658047771.db2.gz ULPUJEKHJUVXML-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795773679 658848906 /nfs/dbraw/zinc/84/89/06/658848906.db2.gz CWKXPWUSPRMZCL-LLVKDONJSA-N 1 0 393.868 2.930 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[NH+]1CCCCC1 ZINC000795927745 658873739 /nfs/dbraw/zinc/87/37/39/658873739.db2.gz YHYPQRVPHKWLGS-LLVKDONJSA-N 1 0 393.868 2.930 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000796113020 658893467 /nfs/dbraw/zinc/89/34/67/658893467.db2.gz GDUOUJWTYXTBAL-OLZOCXBDSA-N 1 0 387.889 2.804 20 5 GFBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798174638 659079130 /nfs/dbraw/zinc/07/91/30/659079130.db2.gz IESVIAJVRWIENL-UHFFFAOYSA-N 1 0 397.229 2.549 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[NH+]1CCCC1 ZINC000809808298 659940195 /nfs/dbraw/zinc/94/01/95/659940195.db2.gz NJPGLRMOZRSZCE-VIFPVBQESA-N 1 0 382.269 2.664 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000809833267 659946949 /nfs/dbraw/zinc/94/69/49/659946949.db2.gz YZSIPNJEZANCOX-NSHDSACASA-N 1 0 393.868 2.930 20 5 GFBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000809842950 659948337 /nfs/dbraw/zinc/94/83/37/659948337.db2.gz JUDUDNRXCKYWOR-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811478081 660009807 /nfs/dbraw/zinc/00/98/07/660009807.db2.gz ABOGFHPNTKYXNQ-LLVKDONJSA-N 1 0 389.283 2.579 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC000814988251 660100083 /nfs/dbraw/zinc/10/00/83/660100083.db2.gz XVFGISGKZRAVRH-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000814990023 660100365 /nfs/dbraw/zinc/10/03/65/660100365.db2.gz YEVTWDZADIMCFK-MNOVXSKESA-N 1 0 393.868 2.929 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842481685 661341385 /nfs/dbraw/zinc/34/13/85/661341385.db2.gz LNOBFKIGIQPQTN-OCCSQVGLSA-N 1 0 387.889 2.709 20 5 GFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000848053618 661622873 /nfs/dbraw/zinc/62/28/73/661622873.db2.gz SFZQWOFZJMZKEG-LLVKDONJSA-N 1 0 382.258 2.584 20 5 GFBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000851820483 661834718 /nfs/dbraw/zinc/83/47/18/661834718.db2.gz ALKWIXQFWHBTIN-VIFPVBQESA-N 1 0 382.269 2.664 20 5 GFBDRO Cc1ccc(N2CCC(CO)([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1Br ZINC000853656985 661896396 /nfs/dbraw/zinc/89/63/96/661896396.db2.gz IWCLQLTXYATUIE-UHFFFAOYSA-N 1 0 386.290 2.995 20 5 GFBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856805794 662044893 /nfs/dbraw/zinc/04/48/93/662044893.db2.gz WAUHXRLGRNUDCJ-LLVKDONJSA-N 1 0 377.224 2.820 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CCC([NH+]3CCOCC3)CC2)c1Br ZINC000859356549 662156046 /nfs/dbraw/zinc/15/60/46/662156046.db2.gz RXIVELQIYPKIHC-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000862790918 662301907 /nfs/dbraw/zinc/30/19/07/662301907.db2.gz BAQPHXTVHLKPLD-JTQLQIEISA-N 1 0 388.237 2.958 20 5 GFBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865631717 662432985 /nfs/dbraw/zinc/43/29/85/662432985.db2.gz HNJHHSANTLVYQX-ZDUSSCGKSA-N 1 0 387.267 2.820 20 5 GFBDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866048973 662458253 /nfs/dbraw/zinc/45/82/53/662458253.db2.gz DQYWDQLUGJPTCV-AAEUAGOBSA-N 1 0 384.274 2.841 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877363050 662874611 /nfs/dbraw/zinc/87/46/11/662874611.db2.gz AZMCTOHFAWYJJV-XVKPBYJWSA-N 1 0 396.163 2.567 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCn3cc(Br)cn3)C2)c1 ZINC000877486764 662877102 /nfs/dbraw/zinc/87/71/02/662877102.db2.gz MYQHAKBKFVBXEH-UHFFFAOYSA-N 1 0 383.250 2.524 20 5 GFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893320207 663407207 /nfs/dbraw/zinc/40/72/07/663407207.db2.gz QHIZKOSZLVIGNH-UHFFFAOYSA-N 1 0 389.905 2.788 20 5 GFBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCNC1=O ZINC000897872776 663623163 /nfs/dbraw/zinc/62/31/63/663623163.db2.gz VZUMNOUFBVFQDY-INIZCTEOSA-N 1 0 394.225 2.986 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000903747099 663805739 /nfs/dbraw/zinc/80/57/39/663805739.db2.gz PHWWYNFNRCMHLW-MRXNPFEDSA-N 1 0 377.242 2.899 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CCC23CCOCC3)ccc1Br ZINC000903818703 663807607 /nfs/dbraw/zinc/80/76/07/663807607.db2.gz UKMPWMZNWNYWNR-UHFFFAOYSA-N 1 0 384.274 2.702 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813796 720146070 /nfs/dbraw/zinc/14/60/70/720146070.db2.gz QQEMUMGKFALODT-YWZLYKJASA-N 1 0 385.468 2.656 20 5 GFBDRO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728767 720431436 /nfs/dbraw/zinc/43/14/36/720431436.db2.gz GIMLQFSXXCBNJF-GBSQEQHRSA-N 1 0 394.479 2.770 20 5 GFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795131 721497263 /nfs/dbraw/zinc/49/72/63/721497263.db2.gz DUKVZFRYMFEHLF-UHFFFAOYSA-N 1 0 397.479 2.813 20 5 GFBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000124417413 551314411 /nfs/dbraw/zinc/31/44/11/551314411.db2.gz DAEBULAQBMTNFN-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000125138245 551319975 /nfs/dbraw/zinc/31/99/75/551319975.db2.gz KEAMHDCVIXEYKC-UHFFFAOYSA-N 1 0 375.516 2.850 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000130287243 551362746 /nfs/dbraw/zinc/36/27/46/551362746.db2.gz VEEOFSPBFNFAOH-SNVBAGLBSA-N 1 0 389.886 2.939 20 5 GFBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000152126294 551426373 /nfs/dbraw/zinc/42/63/73/551426373.db2.gz NYYXJAAJLFEFOE-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173954942 552095723 /nfs/dbraw/zinc/09/57/23/552095723.db2.gz DUCSNNUOIRQCOT-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176723415 552144757 /nfs/dbraw/zinc/14/47/57/552144757.db2.gz XZRIIYLNVKRJHP-WCQYABFASA-N 1 0 375.878 2.517 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000180519992 552228520 /nfs/dbraw/zinc/22/85/20/552228520.db2.gz AISJCXLVXIKZOQ-UHFFFAOYSA-N 1 0 378.226 2.798 20 5 GFBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000181386789 552255454 /nfs/dbraw/zinc/25/54/54/552255454.db2.gz DYERTNMUWHXLDG-UHFFFAOYSA-N 1 0 375.878 2.601 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000191229649 552522195 /nfs/dbraw/zinc/52/21/95/552522195.db2.gz MVOSQYRBIYWMHV-JTQLQIEISA-N 1 0 389.886 2.939 20 5 GFBDRO CC1(C)COC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449621734 564193329 /nfs/dbraw/zinc/19/33/29/564193329.db2.gz AKHWDMBLSSFYAN-GFCCVEGCSA-N 1 0 376.194 2.714 20 5 GFBDRO COC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000279812605 563311573 /nfs/dbraw/zinc/31/15/73/563311573.db2.gz OQIIWTMLNBJBMB-JTQLQIEISA-N 1 0 385.214 2.714 20 5 GFBDRO NC(=O)CC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000297419325 563326053 /nfs/dbraw/zinc/32/60/53/563326053.db2.gz NHDHFRLRWKAGSV-UHFFFAOYSA-N 1 0 394.225 2.925 20 5 GFBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1c1ccccc1 ZINC000374448813 563372407 /nfs/dbraw/zinc/37/24/07/563372407.db2.gz JZAVHEDVMHCUAT-GOEBONIOSA-N 1 0 390.237 2.924 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301142608 563393754 /nfs/dbraw/zinc/39/37/54/563393754.db2.gz HANRFNYPRRXVHZ-LBPRGKRZSA-N 1 0 387.221 2.874 20 5 GFBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376212757 563433793 /nfs/dbraw/zinc/43/37/93/563433793.db2.gz VTCWCCRVPDWGFW-ZFWWWQNUSA-N 1 0 397.317 2.820 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000377883008 563490287 /nfs/dbraw/zinc/49/02/87/563490287.db2.gz HUDAGBLBZRQGPS-TVQRCGJNSA-N 1 0 394.280 2.616 20 5 GFBDRO CS[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330551711 563510383 /nfs/dbraw/zinc/51/03/83/563510383.db2.gz SKJMRAACYTUBNX-OLZOCXBDSA-N 1 0 377.388 2.731 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000331581250 563553856 /nfs/dbraw/zinc/55/38/56/563553856.db2.gz WPYTZOQNSXGLJK-BJOHPYRUSA-N 1 0 382.258 2.878 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000332085195 563575686 /nfs/dbraw/zinc/57/56/86/563575686.db2.gz QGJDTQJDAXGMKX-DGCLKSJQSA-N 1 0 387.889 2.804 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366701639 563817503 /nfs/dbraw/zinc/81/75/03/563817503.db2.gz LUSGALXGHQDAEJ-GFCCVEGCSA-N 1 0 397.273 2.700 20 5 GFBDRO CCc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000537938215 564178548 /nfs/dbraw/zinc/17/85/48/564178548.db2.gz QVCDEXQUZDWORA-GFCCVEGCSA-N 1 0 383.495 2.848 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000537992311 564179498 /nfs/dbraw/zinc/17/94/98/564179498.db2.gz YPMVFGUSWQTPFM-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449522882 564189817 /nfs/dbraw/zinc/18/98/17/564189817.db2.gz LXVHHTVGGROXIG-CHWSQXEVSA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476611278 564348004 /nfs/dbraw/zinc/34/80/04/564348004.db2.gz YZRRQSIMTBXVOW-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000544724765 564396217 /nfs/dbraw/zinc/39/62/17/564396217.db2.gz GBHPPZDWTFFFBL-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615092 564426916 /nfs/dbraw/zinc/42/69/16/564426916.db2.gz YGVFOINHMPRPKN-ZZKXABKFSA-N 1 0 376.194 2.616 20 5 GFBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570093169 564491156 /nfs/dbraw/zinc/49/11/56/564491156.db2.gz GOPBIHXADRBESY-LLVKDONJSA-N 1 0 381.376 2.506 20 5 GFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)c(F)c1 ZINC000494242097 564820177 /nfs/dbraw/zinc/82/01/77/564820177.db2.gz QCWYZFIFFVMBFG-UHFFFAOYSA-N 1 0 384.205 2.790 20 5 GFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCn2cc(Br)cn2)n1 ZINC000556922957 564847049 /nfs/dbraw/zinc/84/70/49/564847049.db2.gz ZFDBBMIHOWOERO-QWHCGFSZSA-N 1 0 383.250 2.524 20 5 GFBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053490 564868241 /nfs/dbraw/zinc/86/82/41/564868241.db2.gz JHTXRSUKBVREDZ-SKDRFNHKSA-N 1 0 381.230 2.996 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000558415677 564899491 /nfs/dbraw/zinc/89/94/91/564899491.db2.gz GPWBVXKVYXXLIP-UHFFFAOYSA-N 1 0 389.886 2.679 20 5 GFBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000503587798 565023968 /nfs/dbraw/zinc/02/39/68/565023968.db2.gz YTRFOTQIEPRSCZ-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382765 565272806 /nfs/dbraw/zinc/27/28/06/565272806.db2.gz ZQYSGAKMOMUBJR-LDYMZIIASA-N 1 0 382.269 2.650 20 5 GFBDRO COCC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000594515811 565397168 /nfs/dbraw/zinc/39/71/68/565397168.db2.gz RTOOSFVMNYMRMQ-UHFFFAOYSA-N 1 0 376.194 2.716 20 5 GFBDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000594712267 565411019 /nfs/dbraw/zinc/41/10/19/565411019.db2.gz ULAIMAAXSGPSCL-NSHDSACASA-N 1 0 393.241 2.833 20 5 GFBDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000595056525 565446143 /nfs/dbraw/zinc/44/61/43/565446143.db2.gz KUWMCWNWRUXTIH-NSHDSACASA-N 1 0 393.241 2.833 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595412273 565474656 /nfs/dbraw/zinc/47/46/56/565474656.db2.gz XKKYZJVHXPOKLG-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376933 565779321 /nfs/dbraw/zinc/77/93/21/565779321.db2.gz WPZYBHJJXDOYTG-TZMCWYRMSA-N 1 0 385.511 2.602 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290629 565837442 /nfs/dbraw/zinc/83/74/42/565837442.db2.gz IFLFNCWPWMYAQR-WCQYABFASA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1Br ZINC000602584232 565856775 /nfs/dbraw/zinc/85/67/75/565856775.db2.gz YSSUCEINBWBBCB-NOZJJQNGSA-N 1 0 377.260 2.847 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000602827096 565869335 /nfs/dbraw/zinc/86/93/35/565869335.db2.gz OKWWDOVKNLLQJD-HNNXBMFYSA-N 1 0 380.246 2.998 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000603975572 565920309 /nfs/dbraw/zinc/92/03/09/565920309.db2.gz BKBLFVRRLYZZNZ-NEPJUHHUSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196299 566032568 /nfs/dbraw/zinc/03/25/68/566032568.db2.gz LDCJXYYJGDUFSW-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO CC[N@@H+]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084706 566113414 /nfs/dbraw/zinc/11/34/14/566113414.db2.gz LNSDMAYFORAKRX-SNVBAGLBSA-N 1 0 375.210 2.730 20 5 GFBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000820711413 599477550 /nfs/dbraw/zinc/47/75/50/599477550.db2.gz YQDFDYHFISFWHH-STQMWFEESA-N 1 0 396.455 2.855 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820903860 606936682 /nfs/dbraw/zinc/93/66/82/606936682.db2.gz YWOAZAVROFSQTD-LBPRGKRZSA-N 1 0 382.428 2.609 20 5 GFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225543 607013652 /nfs/dbraw/zinc/01/36/52/607013652.db2.gz KTZXWABDHWQIDP-OLZOCXBDSA-N 1 0 395.423 2.843 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000823619822 607163649 /nfs/dbraw/zinc/16/36/49/607163649.db2.gz BPGLVJCOAMNUJB-UHFFFAOYSA-N 1 0 386.460 2.771 20 5 GFBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269710 608191087 /nfs/dbraw/zinc/19/10/87/608191087.db2.gz UNPNRMPPOJLTFM-UHFFFAOYSA-N 1 0 381.440 2.652 20 5 GFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC000826499070 608520557 /nfs/dbraw/zinc/52/05/57/608520557.db2.gz UUYJJNQDKSWCAU-GOSISDBHSA-N 1 0 380.408 2.821 20 5 GFBDRO Cc1c(Br)c(NC[C@H](O)C[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000544394648 650439366 /nfs/dbraw/zinc/43/93/66/650439366.db2.gz NXQRWSXIHPTTNF-LBPRGKRZSA-N 1 0 387.278 2.565 20 5 GFBDRO CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000829935580 660623738 /nfs/dbraw/zinc/62/37/38/660623738.db2.gz IQNRDZWFEWJCIL-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@H](C)C1 ZINC000124281282 654773676 /nfs/dbraw/zinc/77/36/76/654773676.db2.gz HDRVBFUKZFIOTJ-OCCSQVGLSA-N 1 0 389.905 2.907 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000124374465 654775386 /nfs/dbraw/zinc/77/53/86/654775386.db2.gz PZKNVGIVGXMSOT-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@@H+]1C1CC1 ZINC000267908113 654951512 /nfs/dbraw/zinc/95/15/12/654951512.db2.gz BYMHPGWUOFEGAR-SCZZXKLOSA-N 1 0 386.221 2.851 20 5 GFBDRO CC[N@H+](C)CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000134935498 655006482 /nfs/dbraw/zinc/00/64/82/655006482.db2.gz SNNONPGWOUDOLW-UHFFFAOYSA-N 1 0 386.239 2.769 20 5 GFBDRO CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174823626 655208669 /nfs/dbraw/zinc/20/86/69/655208669.db2.gz PEGMKXJHAMCPEE-CQSZACIVSA-N 1 0 375.878 2.542 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000177616765 655283420 /nfs/dbraw/zinc/28/34/20/655283420.db2.gz PJNQDFKJQZWJAI-CYBMUJFWSA-N 1 0 387.889 2.806 20 5 GFBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119581699 655307832 /nfs/dbraw/zinc/30/78/32/655307832.db2.gz PCITWCGTOKXMKV-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000293912897 655362590 /nfs/dbraw/zinc/36/25/90/655362590.db2.gz SAJXJMJTNBYEOI-MRVPVSSYSA-N 1 0 378.654 2.938 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264670089 655468246 /nfs/dbraw/zinc/46/82/46/655468246.db2.gz WCDQQARRFXMRPV-OLZOCXBDSA-N 1 0 375.397 2.630 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(O)CCCCC2)c1 ZINC000580131844 655508684 /nfs/dbraw/zinc/50/86/84/655508684.db2.gz GRZDFANLKBFSOE-UHFFFAOYSA-N 1 0 390.221 2.984 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000725822606 655526995 /nfs/dbraw/zinc/52/69/95/655526995.db2.gz HUIHPOXTXLIVTJ-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3s2)nnc1C1CC[NH2+]CC1 ZINC000735487459 655647961 /nfs/dbraw/zinc/64/79/61/655647961.db2.gz KGAVJRIALKIHHF-UHFFFAOYSA-N 1 0 376.467 2.951 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000758444161 655932975 /nfs/dbraw/zinc/93/29/75/655932975.db2.gz CSCVMFROMKCTQD-NSHDSACASA-N 1 0 377.894 2.811 20 5 GFBDRO C[N@H+](CCCO)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769429325 656276188 /nfs/dbraw/zinc/27/61/88/656276188.db2.gz YCZIIYQCNVBTBJ-UHFFFAOYSA-N 1 0 386.290 2.636 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000841527729 661291376 /nfs/dbraw/zinc/29/13/76/661291376.db2.gz WBPMPYGGKGRCNF-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790769933 658021302 /nfs/dbraw/zinc/02/13/02/658021302.db2.gz LZJUELMEOILUJO-LLVKDONJSA-N 1 0 397.273 2.519 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795877032 658865617 /nfs/dbraw/zinc/86/56/17/658865617.db2.gz VPAUKZAHGNMOSG-VHSXEESVSA-N 1 0 379.841 2.538 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806157057 659826569 /nfs/dbraw/zinc/82/65/69/659826569.db2.gz AXGYHDBKSSJJQM-AWEZNQCLSA-N 1 0 381.841 2.694 20 5 GFBDRO C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000809824474 659944036 /nfs/dbraw/zinc/94/40/36/659944036.db2.gz BEXJDUPQTSLBAG-SECBINFHSA-N 1 0 381.857 2.642 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000809838896 659947456 /nfs/dbraw/zinc/94/74/56/659947456.db2.gz AXIXMEXCSJZBJT-UHFFFAOYSA-N 1 0 391.852 2.540 20 5 GFBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809845549 659948620 /nfs/dbraw/zinc/94/86/20/659948620.db2.gz OWSDQUSLIDIKCT-JTQLQIEISA-N 1 0 379.841 2.540 20 5 GFBDRO C[C@@H]1CCC[N@@H+]1CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810147555 659964659 /nfs/dbraw/zinc/96/46/59/659964659.db2.gz NMTZHQXNVZFBPK-LLVKDONJSA-N 1 0 389.237 2.773 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000814988707 660100267 /nfs/dbraw/zinc/10/02/67/660100267.db2.gz SPXVPPDUXHGTID-QWRGUYRKSA-N 1 0 393.868 2.786 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000842481925 661341315 /nfs/dbraw/zinc/34/13/15/661341315.db2.gz MJOSXZNWJOUWBB-CHWSQXEVSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000842481928 661341359 /nfs/dbraw/zinc/34/13/59/661341359.db2.gz MJOSXZNWJOUWBB-STQMWFEESA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842876903 661358548 /nfs/dbraw/zinc/35/85/48/661358548.db2.gz ZZHNDYHNIFFZKR-STQMWFEESA-N 1 0 387.889 2.649 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000842895411 661359186 /nfs/dbraw/zinc/35/91/86/661359186.db2.gz ZUGTYKVRDFDZJA-CHWSQXEVSA-N 1 0 387.889 2.567 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848509451 661658779 /nfs/dbraw/zinc/65/87/79/661658779.db2.gz VUVNSMVZXZOIKM-KGLIPLIRSA-N 1 0 387.889 2.852 20 5 GFBDRO C[NH+](C)[C@H]1CCc2ccccc2N(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000857902658 662094357 /nfs/dbraw/zinc/09/43/57/662094357.db2.gz UHMFYXOXKLCKLY-ZDUSSCGKSA-N 1 0 381.479 2.728 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000864883447 662389490 /nfs/dbraw/zinc/38/94/90/662389490.db2.gz AAUGYPNZPGDTCZ-KBPBESRZSA-N 1 0 382.258 2.643 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866010126 662456260 /nfs/dbraw/zinc/45/62/60/662456260.db2.gz VBAPMUQAWNCRSX-CQSZACIVSA-N 1 0 396.285 2.844 20 5 GFBDRO C[NH+](C)C1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000868923338 662624999 /nfs/dbraw/zinc/62/49/99/662624999.db2.gz CZUQKRVGTNDPBB-UHFFFAOYSA-N 1 0 384.274 2.889 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836276 662837980 /nfs/dbraw/zinc/83/79/80/662837980.db2.gz DYOLIJLWYQLEGV-HUUCEWRRSA-N 1 0 382.258 2.595 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877358565 662874417 /nfs/dbraw/zinc/87/44/17/662874417.db2.gz PQWCHWDVPSOWKE-PSASIEDQSA-N 1 0 397.806 2.936 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879022968 662913529 /nfs/dbraw/zinc/91/35/29/662913529.db2.gz DPLLBOPGMIFXGJ-GXFFZTMASA-N 1 0 383.246 2.915 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879519203 662928347 /nfs/dbraw/zinc/92/83/47/662928347.db2.gz OYJQYEHEZJGISS-QMTHXVAHSA-N 1 0 383.246 2.915 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000882047264 663014873 /nfs/dbraw/zinc/01/48/73/663014873.db2.gz QDKJWPZQHCDRJK-GFCCVEGCSA-N 1 0 389.905 2.907 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000882128884 663017561 /nfs/dbraw/zinc/01/75/61/663017561.db2.gz ZLKHUNLNXGEWET-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO C[C@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000883601109 663057728 /nfs/dbraw/zinc/05/77/28/663057728.db2.gz QUTTXGBITHPKAL-NSHDSACASA-N 1 0 397.273 2.807 20 5 GFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883741310 663060061 /nfs/dbraw/zinc/06/00/61/663060061.db2.gz GMRZERPJNCUPKT-GFCCVEGCSA-N 1 0 399.289 2.888 20 5 GFBDRO O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000886938115 663125454 /nfs/dbraw/zinc/12/54/54/663125454.db2.gz FKNTWLURMMRDOP-MRVPVSSYSA-N 1 0 393.188 2.724 20 5 GFBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@]2(C)C1 ZINC000887930628 663170683 /nfs/dbraw/zinc/17/06/83/663170683.db2.gz QBPOKKYTHTYPDB-PSLIRLAXSA-N 1 0 386.221 2.520 20 5 GFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(n4cc(Br)cn4)CC3)nc2c1 ZINC000896911979 663581529 /nfs/dbraw/zinc/58/15/29/663581529.db2.gz NLVNKQHSLJYPOT-UHFFFAOYSA-N 1 0 392.213 2.974 20 5 GFBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896933707 663582079 /nfs/dbraw/zinc/58/20/79/663582079.db2.gz YYAURPSXVMDYNP-UHFFFAOYSA-N 1 0 394.230 2.617 20 5 GFBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880729 663623411 /nfs/dbraw/zinc/62/34/11/663623411.db2.gz MWGDFUKDCBQWEX-VIFPVBQESA-N 1 0 394.230 2.617 20 5 GFBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603338 664294458 /nfs/dbraw/zinc/29/44/58/664294458.db2.gz SWKHUKMNNDAPKG-QWHCGFSZSA-N 1 0 382.258 2.960 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932210050 664813634 /nfs/dbraw/zinc/81/36/34/664813634.db2.gz NGXNYHORNFGMEC-CYBMUJFWSA-N 1 0 381.230 2.976 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)c1 ZINC000932810415 664839587 /nfs/dbraw/zinc/83/95/87/664839587.db2.gz SOAQYQJQSXIMGE-MRXNPFEDSA-N 1 0 395.257 2.537 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164618479 719068381 /nfs/dbraw/zinc/06/83/81/719068381.db2.gz AUVMREUGGDZNMZ-YJBOKZPZSA-N 1 0 383.408 2.999 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2ncc([N+](=O)[O-])c3ccccc32)c2c1CC[NH2+]C2 ZINC001164681601 719618918 /nfs/dbraw/zinc/61/89/18/719618918.db2.gz ITFMGUDLOKMGMY-UHFFFAOYSA-N 1 0 380.452 2.815 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812356 720073625 /nfs/dbraw/zinc/07/36/25/720073625.db2.gz QTLXWXKJYGYBCP-KBXCAEBGSA-N 1 0 380.876 2.828 20 5 GFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901321 721520496 /nfs/dbraw/zinc/52/04/96/721520496.db2.gz WOPRPYVDAPMYNN-GOEBONIOSA-N 1 0 376.363 2.610 20 5 GFBDRO Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1 ZINC001164959423 722052469 /nfs/dbraw/zinc/05/24/69/722052469.db2.gz JAQOAPIJGNBKDG-UHFFFAOYSA-N 1 0 397.479 2.812 20 5 GFBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000056043394 551175962 /nfs/dbraw/zinc/17/59/62/551175962.db2.gz NICSDILVTBNEHI-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119511805 551217451 /nfs/dbraw/zinc/21/74/51/551217451.db2.gz BRKJWUJMHKEAQV-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000151834343 551422156 /nfs/dbraw/zinc/42/21/56/551422156.db2.gz GQLCGRLQRVHHHB-UHFFFAOYSA-N 1 0 384.274 2.700 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152853800 551441027 /nfs/dbraw/zinc/44/10/27/551441027.db2.gz ZYMQJWXJUVZSRI-OCCSQVGLSA-N 1 0 387.889 2.661 20 5 GFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000158614666 551554260 /nfs/dbraw/zinc/55/42/60/551554260.db2.gz RHQRTQVZTPPUMS-GFCCVEGCSA-N 1 0 387.889 2.886 20 5 GFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000179218620 552187369 /nfs/dbraw/zinc/18/73/69/552187369.db2.gz FHCAEQFEZNOGCV-HNNXBMFYSA-N 1 0 394.225 2.682 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180048544 552211004 /nfs/dbraw/zinc/21/10/04/552211004.db2.gz IBHYGELHLHYEPX-CYBMUJFWSA-N 1 0 389.905 2.909 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000180161416 552215556 /nfs/dbraw/zinc/21/55/56/552215556.db2.gz KAHJCRWYJUUFGU-CHWSQXEVSA-N 1 0 387.889 2.661 20 5 GFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182002361 552272657 /nfs/dbraw/zinc/27/26/57/552272657.db2.gz ZTHFROSXFZHSSO-AWEZNQCLSA-N 1 0 398.257 2.568 20 5 GFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000182278533 552280454 /nfs/dbraw/zinc/28/04/54/552280454.db2.gz PAOUFQLCPFWDGC-JSGCOSHPSA-N 1 0 386.246 2.843 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000189212332 552465948 /nfs/dbraw/zinc/46/59/48/552465948.db2.gz LWQLPJNFHZKTIO-UHFFFAOYSA-N 1 0 381.841 2.638 20 5 GFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000236608690 553069752 /nfs/dbraw/zinc/06/97/52/553069752.db2.gz BEYFUGRGIYVIEJ-UHFFFAOYSA-N 1 0 378.226 2.877 20 5 GFBDRO [NH3+]C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000420369636 563262773 /nfs/dbraw/zinc/26/27/73/563262773.db2.gz XXXFXCROPAOQTO-HNNXBMFYSA-N 1 0 399.289 2.793 20 5 GFBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296463548 563288448 /nfs/dbraw/zinc/28/84/48/563288448.db2.gz XKSPAXXSDPTFQF-SECBINFHSA-N 1 0 382.269 2.616 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373066621 563328035 /nfs/dbraw/zinc/32/80/35/563328035.db2.gz TWRMWPWSZYQCKS-LDYMZIIASA-N 1 0 388.649 2.835 20 5 GFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374315749 563368189 /nfs/dbraw/zinc/36/81/89/563368189.db2.gz ZJEVFWHUBRQCJW-XJKSGUPXSA-N 1 0 397.317 2.820 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591362 563407911 /nfs/dbraw/zinc/40/79/11/563407911.db2.gz QUKOYYRSGWOFFE-GHMZBOCLSA-N 1 0 377.413 2.876 20 5 GFBDRO C[C@@H]1CCC[C@@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301935141 563416084 /nfs/dbraw/zinc/41/60/84/563416084.db2.gz PBBJJRLJEVVNLX-IAQYHMDHSA-N 1 0 375.516 2.982 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cs1 ZINC000375749787 563416952 /nfs/dbraw/zinc/41/69/52/563416952.db2.gz HSNGEPILDVWUIX-LLVKDONJSA-N 1 0 387.508 2.518 20 5 GFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376212754 563433406 /nfs/dbraw/zinc/43/34/06/563433406.db2.gz VTCWCCRVPDWGFW-HIFRSBDPSA-N 1 0 397.317 2.820 20 5 GFBDRO CC(C)(O)C[N@@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000364119924 563744072 /nfs/dbraw/zinc/74/40/72/563744072.db2.gz KTBNFMDKCSHNGN-UHFFFAOYSA-N 1 0 386.290 2.636 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)C1 ZINC000292077704 563772390 /nfs/dbraw/zinc/77/23/90/563772390.db2.gz QRLMXTVUUQVVPD-CQSZACIVSA-N 1 0 394.280 2.618 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415709972 563792771 /nfs/dbraw/zinc/79/27/71/563792771.db2.gz YTHLWHSRNSQUFR-HOSYDEDBSA-N 1 0 383.246 2.867 20 5 GFBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000472693994 564231070 /nfs/dbraw/zinc/23/10/70/564231070.db2.gz ZZITWYRMJWCCRD-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000566473734 564328663 /nfs/dbraw/zinc/32/86/63/564328663.db2.gz COBAQWBRSZDBBD-AWEZNQCLSA-N 1 0 381.479 2.520 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000567545479 564376504 /nfs/dbraw/zinc/37/65/04/564376504.db2.gz XFVNRZMCJQYVPN-UHFFFAOYSA-N 1 0 376.194 2.546 20 5 GFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@@H]1C1CC1 ZINC000543236648 564343666 /nfs/dbraw/zinc/34/36/66/564343666.db2.gz VLKBEBOIYQULOW-CVEARBPZSA-N 1 0 398.257 2.843 20 5 GFBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C2CC2)C1 ZINC000452177536 564398024 /nfs/dbraw/zinc/39/80/24/564398024.db2.gz XQJMVIPHUKMESZ-LBPRGKRZSA-N 1 0 396.285 2.843 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc(Br)c2)c1 ZINC000569232450 564454706 /nfs/dbraw/zinc/45/47/06/564454706.db2.gz ZICRRQDZBAHUNW-INIZCTEOSA-N 1 0 395.253 2.929 20 5 GFBDRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000546705263 564465149 /nfs/dbraw/zinc/46/51/49/564465149.db2.gz SAJUEUQTDSBOTG-UHFFFAOYSA-N 1 0 396.245 2.554 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1 ZINC000574565096 564679444 /nfs/dbraw/zinc/67/94/44/564679444.db2.gz HJLSDJHLRLSEDD-AWEZNQCLSA-N 1 0 381.226 2.887 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000525387740 564699849 /nfs/dbraw/zinc/69/98/49/564699849.db2.gz JCBXXSRADCUVJA-VXGBXAGGSA-N 1 0 375.878 2.742 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000490156155 564764881 /nfs/dbraw/zinc/76/48/81/564764881.db2.gz HKRDMJQYZGRJIW-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO C[C@@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCCOC1 ZINC000554972041 564780345 /nfs/dbraw/zinc/78/03/45/564780345.db2.gz UHNFPLSROYANEQ-CYBMUJFWSA-N 1 0 376.194 2.858 20 5 GFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000460889051 564783125 /nfs/dbraw/zinc/78/31/25/564783125.db2.gz IHCIGSYKFZUMQB-UHFFFAOYSA-N 1 0 377.894 2.991 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000462391375 564836189 /nfs/dbraw/zinc/83/61/89/564836189.db2.gz IGDZQVKNMSPMMU-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000583841928 564910171 /nfs/dbraw/zinc/91/01/71/564910171.db2.gz SFTSFHWMKHKDHQ-YGRLFVJLSA-N 1 0 390.221 2.840 20 5 GFBDRO Cc1sc(S(=O)(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467421100 564963116 /nfs/dbraw/zinc/96/31/16/564963116.db2.gz XIDNJTYDBPVQLK-NSHDSACASA-N 1 0 375.516 2.754 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000467765441 564971934 /nfs/dbraw/zinc/97/19/34/564971934.db2.gz ATOAYXPICFTXFH-LLVKDONJSA-N 1 0 377.894 2.811 20 5 GFBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562035083 565016276 /nfs/dbraw/zinc/01/62/76/565016276.db2.gz HCHCUXRBAQPXAU-LLVKDONJSA-N 1 0 389.237 2.725 20 5 GFBDRO CC(C)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)O ZINC000562033614 565016637 /nfs/dbraw/zinc/01/66/37/565016637.db2.gz DEFKHTUXBRLFFY-JTQLQIEISA-N 1 0 378.210 2.791 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000589314808 565161824 /nfs/dbraw/zinc/16/18/24/565161824.db2.gz YOYVDVWIQNMHCB-GFCCVEGCSA-N 1 0 398.204 2.570 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(Cc1ccc(Br)cc1[N+](=O)[O-])CCO2 ZINC000592184436 565262417 /nfs/dbraw/zinc/26/24/17/565262417.db2.gz KXUGUJQNCQFHAO-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390379 565274255 /nfs/dbraw/zinc/27/42/55/565274255.db2.gz HPOXESKWMZWKOO-QWHCGFSZSA-N 1 0 387.889 2.649 20 5 GFBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595117924 565450345 /nfs/dbraw/zinc/45/03/45/565450345.db2.gz GOOFTYYEIRLGQB-DGCLKSJQSA-N 1 0 375.878 2.776 20 5 GFBDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596065624 565511536 /nfs/dbraw/zinc/51/15/36/565511536.db2.gz HWDIQBSHFKPGQR-HOCLYGCPSA-N 1 0 397.273 2.526 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3COCCN3)o2)c(Br)c1 ZINC000600775235 565749758 /nfs/dbraw/zinc/74/97/58/565749758.db2.gz MHWNCDRMJDLDCX-LLVKDONJSA-N 1 0 396.241 2.695 20 5 GFBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376932 565779420 /nfs/dbraw/zinc/77/94/20/565779420.db2.gz WPZYBHJJXDOYTG-OCCSQVGLSA-N 1 0 385.511 2.602 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290618 565836972 /nfs/dbraw/zinc/83/69/72/565836972.db2.gz IFLFNCWPWMYAQR-DGCLKSJQSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1sc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000602478233 565850952 /nfs/dbraw/zinc/85/09/52/565850952.db2.gz WZXUEEDWNNJMDP-NSHDSACASA-N 1 0 390.303 2.573 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000603975473 565920673 /nfs/dbraw/zinc/92/06/73/565920673.db2.gz CHRZBWHUKZILKM-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000610782884 566099355 /nfs/dbraw/zinc/09/93/55/566099355.db2.gz ODTIVWJNTJCVSH-UHFFFAOYSA-N 1 0 383.246 2.873 20 5 GFBDRO Cc1c(Br)c(N2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000612439355 566162138 /nfs/dbraw/zinc/16/21/38/566162138.db2.gz YPAMKWTWNCZWOZ-UHFFFAOYSA-N 1 0 378.230 2.782 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269411 598870095 /nfs/dbraw/zinc/87/00/95/598870095.db2.gz WRWOJEHSVQHBCN-GJZGRUSLSA-N 1 0 385.472 2.866 20 5 GFBDRO C[NH+](C)C1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC000736755653 599272617 /nfs/dbraw/zinc/27/26/17/599272617.db2.gz CHTKQHZCFSFKRL-UHFFFAOYSA-N 1 0 382.428 2.609 20 5 GFBDRO O=[N+]([O-])c1cc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000823634786 606644697 /nfs/dbraw/zinc/64/46/97/606644697.db2.gz MAGZNLCZWPYHBD-UHFFFAOYSA-N 1 0 379.424 2.851 20 5 GFBDRO CC[NH+](CC)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccsc1 ZINC000821180327 606698183 /nfs/dbraw/zinc/69/81/83/606698183.db2.gz BOEKRLPOZSLIOZ-CYBMUJFWSA-N 1 0 388.457 2.726 20 5 GFBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000820668771 606875280 /nfs/dbraw/zinc/87/52/80/606875280.db2.gz WELBVAPBBAEXTQ-DZGCQCFKSA-N 1 0 379.424 2.850 20 5 GFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820226338 607085411 /nfs/dbraw/zinc/08/54/11/607085411.db2.gz UXUNWSASSRESTD-CHWSQXEVSA-N 1 0 395.423 2.843 20 5 GFBDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824584831 608468556 /nfs/dbraw/zinc/46/85/56/608468556.db2.gz IDIWQJOOVYHFON-SNVBAGLBSA-N 1 0 387.425 2.516 20 5 GFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000826569102 660457180 /nfs/dbraw/zinc/45/71/80/660457180.db2.gz PIXMSLIPHBKKFQ-GFCCVEGCSA-N 1 0 397.273 2.556 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302093 660488188 /nfs/dbraw/zinc/48/81/88/660488188.db2.gz SUCWCYLUFQVDJN-FZMZJTMJSA-N 1 0 382.258 2.832 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000834310005 660813320 /nfs/dbraw/zinc/81/33/20/660813320.db2.gz AZMWHTMXYRRISE-PELKAZGASA-N 1 0 388.649 2.787 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124615307 654779534 /nfs/dbraw/zinc/77/95/34/654779534.db2.gz IGXHHLZZXSNEAR-IAQYHMDHSA-N 1 0 382.258 2.914 20 5 GFBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000124875724 654783322 /nfs/dbraw/zinc/78/33/22/654783322.db2.gz IQXVCHJUKOHPTE-UHFFFAOYSA-N 1 0 381.376 2.504 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000124937820 654783992 /nfs/dbraw/zinc/78/39/92/654783992.db2.gz KQPQDKRUSDXKQO-JSGCOSHPSA-N 1 0 387.889 2.661 20 5 GFBDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000901 654892600 /nfs/dbraw/zinc/89/26/00/654892600.db2.gz LTFDAYJGAKQMAO-UHFFFAOYSA-N 1 0 383.495 2.977 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000130975354 654894824 /nfs/dbraw/zinc/89/48/24/654894824.db2.gz BVAUZBZXPZPKBJ-ZDUSSCGKSA-N 1 0 381.226 2.887 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069124240 654974090 /nfs/dbraw/zinc/97/40/90/654974090.db2.gz YAHMCQIDDYWULD-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269001216 654994640 /nfs/dbraw/zinc/99/46/40/654994640.db2.gz PDHMLSAUVNDUQG-BXUZGUMPSA-N 1 0 382.258 2.914 20 5 GFBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271987620 655100241 /nfs/dbraw/zinc/10/02/41/655100241.db2.gz LBXPYMBMLPLEOQ-UHFFFAOYSA-N 1 0 389.905 2.788 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)c1 ZINC000173282959 655167114 /nfs/dbraw/zinc/16/71/14/655167114.db2.gz WFWPTOZPTVXSKH-OAHLLOKOSA-N 1 0 395.257 2.584 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173920262 655185564 /nfs/dbraw/zinc/18/55/64/655185564.db2.gz JXYCBTCMOYVEEC-LBPRGKRZSA-N 1 0 399.289 2.569 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176736219 655254253 /nfs/dbraw/zinc/25/42/53/655254253.db2.gz HTVUFCVXCIHLBD-RYUDHWBXSA-N 1 0 375.878 2.708 20 5 GFBDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119370291 655301260 /nfs/dbraw/zinc/30/12/60/655301260.db2.gz QQCMYOBDJFGBDF-UHFFFAOYSA-N 1 0 383.495 2.977 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000576910648 655454337 /nfs/dbraw/zinc/45/43/37/655454337.db2.gz DUEXMJSMDZEOCN-ZIAGYGMSSA-N 1 0 390.221 2.983 20 5 GFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027583 655456467 /nfs/dbraw/zinc/45/64/67/655456467.db2.gz RELFOPLCQNIINM-WDEREUQCSA-N 1 0 389.237 2.724 20 5 GFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596157741 655514280 /nfs/dbraw/zinc/51/42/80/655514280.db2.gz DJEKBEXIUACEMK-CQSZACIVSA-N 1 0 397.317 2.962 20 5 GFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596157740 655514310 /nfs/dbraw/zinc/51/43/10/655514310.db2.gz DJEKBEXIUACEMK-AWEZNQCLSA-N 1 0 397.317 2.962 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000725825410 655527203 /nfs/dbraw/zinc/52/72/03/655527203.db2.gz BLPKYPYESQZWPZ-LBPRGKRZSA-N 1 0 375.878 2.649 20 5 GFBDRO C[N@@H+]1CCC[C@H](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000840338630 661155625 /nfs/dbraw/zinc/15/56/25/661155625.db2.gz DBGYPGOWXVHIHT-LLVKDONJSA-N 1 0 377.413 2.735 20 5 GFBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733318559 655612127 /nfs/dbraw/zinc/61/21/27/655612127.db2.gz AAIXZFHLBIVVGA-ZDUSSCGKSA-N 1 0 375.878 2.791 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752258800 655841683 /nfs/dbraw/zinc/84/16/83/655841683.db2.gz FSLUIUFOCIRZEP-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000763961979 656097478 /nfs/dbraw/zinc/09/74/78/656097478.db2.gz MTTNHKNXHBXIAI-UHFFFAOYSA-N 1 0 399.632 2.670 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000841504201 661276753 /nfs/dbraw/zinc/27/67/53/661276753.db2.gz DIYUWCLSMAPHIF-GFCCVEGCSA-N 1 0 381.841 2.635 20 5 GFBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790771652 658020965 /nfs/dbraw/zinc/02/09/65/658020965.db2.gz VNEYYWXYGCDCKZ-NSHDSACASA-N 1 0 399.289 2.765 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000796113017 658893268 /nfs/dbraw/zinc/89/32/68/658893268.db2.gz GDUOUJWTYXTBAL-CHWSQXEVSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798164414 659077477 /nfs/dbraw/zinc/07/74/77/659077477.db2.gz KSMUDSFWWBGDEP-NSHDSACASA-N 1 0 399.289 2.993 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000798225678 659084773 /nfs/dbraw/zinc/08/47/73/659084773.db2.gz GXDDAMBRIXLSKP-GHMZBOCLSA-N 1 0 393.868 2.786 20 5 GFBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809815406 659941305 /nfs/dbraw/zinc/94/13/05/659941305.db2.gz GWTFJWLJVNULBC-SECBINFHSA-N 1 0 382.269 2.522 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817471 659941583 /nfs/dbraw/zinc/94/15/83/659941583.db2.gz CBNWVCWJMQGWTB-SNVBAGLBSA-N 1 0 396.296 2.864 20 5 GFBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809836211 659947148 /nfs/dbraw/zinc/94/71/48/659947148.db2.gz RDUHROKTHKZODR-UHFFFAOYSA-N 1 0 384.285 2.864 20 5 GFBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000809842952 659948442 /nfs/dbraw/zinc/94/84/42/659948442.db2.gz JUDUDNRXCKYWOR-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815008850 660100970 /nfs/dbraw/zinc/10/09/70/660100970.db2.gz PZNNFNAOMYOLOE-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[C@H]1C[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[NH2+]1 ZINC000841985109 661319004 /nfs/dbraw/zinc/31/90/04/661319004.db2.gz JQOOGHKLSGWANP-WDEREUQCSA-N 1 0 397.273 2.566 20 5 GFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843502487 661383597 /nfs/dbraw/zinc/38/35/97/661383597.db2.gz CWZBNJRTRBJATG-JTQLQIEISA-N 1 0 386.221 2.901 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865893980 662449638 /nfs/dbraw/zinc/44/96/38/662449638.db2.gz GHRIGXHOFZETIZ-ZDUSSCGKSA-N 1 0 384.274 2.700 20 5 GFBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000866458043 662474434 /nfs/dbraw/zinc/47/44/34/662474434.db2.gz XMYFGBZMPQJKFB-CMPLNLGQSA-N 1 0 382.258 2.641 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000889726083 663261044 /nfs/dbraw/zinc/26/10/44/663261044.db2.gz NQQPAJGRTMKJIW-CQSZACIVSA-N 1 0 395.257 2.513 20 5 GFBDRO CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726555 663261102 /nfs/dbraw/zinc/26/11/02/663261102.db2.gz RTDJCHOXPFEEDC-UHFFFAOYSA-N 1 0 385.262 2.595 20 5 GFBDRO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903481324 663785534 /nfs/dbraw/zinc/78/55/34/663785534.db2.gz YWSAHPRJQOCDOE-ONGXEEELSA-N 1 0 380.246 2.802 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905426772 663870747 /nfs/dbraw/zinc/87/07/47/663870747.db2.gz JWCSYZZPJMBJJR-NVXWUHKLSA-N 1 0 395.253 2.932 20 5 GFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913275256 664330731 /nfs/dbraw/zinc/33/07/31/664330731.db2.gz SSQRPWAEOPDFGS-IYBDPMFKSA-N 1 0 382.258 2.771 20 5 GFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721783 720374917 /nfs/dbraw/zinc/37/49/17/720374917.db2.gz BAPLPAKWXOVEEU-OALUTQOASA-N 1 0 376.420 2.786 20 5 GFBDRO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728766 720432224 /nfs/dbraw/zinc/43/22/24/720432224.db2.gz GIMLQFSXXCBNJF-CVLYKSAASA-N 1 0 394.479 2.770 20 5 GFBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837887 720509202 /nfs/dbraw/zinc/50/92/02/720509202.db2.gz QLVLKENBPBKETP-JENIJYKNSA-N 1 0 384.484 2.873 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([NH2+]CC2CC2)CC1 ZINC000159789025 551570799 /nfs/dbraw/zinc/57/07/99/551570799.db2.gz IEKHWDWQOCOOSI-UHFFFAOYSA-N 1 0 396.285 2.890 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000161967850 551601374 /nfs/dbraw/zinc/60/13/74/551601374.db2.gz WETZIZSEPQSUTE-OAHLLOKOSA-N 1 0 381.479 2.602 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000193295185 552989439 /nfs/dbraw/zinc/98/94/39/552989439.db2.gz UKISWFUMIPXGBW-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[N+](=O)[O-])n1 ZINC000237649350 553079911 /nfs/dbraw/zinc/07/99/11/553079911.db2.gz VKKZRRAGTAKZCJ-LBPRGKRZSA-N 1 0 378.479 2.978 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000237819325 553082404 /nfs/dbraw/zinc/08/24/04/553082404.db2.gz PRFWFHURKYTWKO-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246117849 553102863 /nfs/dbraw/zinc/10/28/63/553102863.db2.gz ALGKVEQHJPEFAP-HIFRSBDPSA-N 1 0 396.285 2.985 20 5 GFBDRO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246952083 553115836 /nfs/dbraw/zinc/11/58/36/553115836.db2.gz ATZDGYRAUDXKCX-WCQYABFASA-N 1 0 383.246 2.608 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000247814123 553126076 /nfs/dbraw/zinc/12/60/76/553126076.db2.gz BMLDONHJRNSGBJ-UHFFFAOYSA-N 1 0 375.878 2.711 20 5 GFBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369722625 563222923 /nfs/dbraw/zinc/22/29/23/563222923.db2.gz SMRRJBGHIVNZEZ-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000370337016 563240532 /nfs/dbraw/zinc/24/05/32/563240532.db2.gz DPNPDBYILMWLPB-AWEZNQCLSA-N 1 0 382.258 2.597 20 5 GFBDRO O=C([C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000420163267 563259665 /nfs/dbraw/zinc/25/96/65/563259665.db2.gz FLECOMXKNPZYER-LLVKDONJSA-N 1 0 387.267 2.550 20 5 GFBDRO Cc1[nH+]c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371339022 563273210 /nfs/dbraw/zinc/27/32/10/563273210.db2.gz LKKACFUCRIECJR-UHFFFAOYSA-N 1 0 384.845 2.568 20 5 GFBDRO CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000421001882 563293538 /nfs/dbraw/zinc/29/35/38/563293538.db2.gz QCMXSXIZDUJNCD-CYBMUJFWSA-N 1 0 389.237 2.725 20 5 GFBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000422639136 563345060 /nfs/dbraw/zinc/34/50/60/563345060.db2.gz SEMDJQXZFFGFPV-WOPDTQHZSA-N 1 0 399.289 2.601 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)C1 ZINC000301649775 563409788 /nfs/dbraw/zinc/40/97/88/563409788.db2.gz FRZCTYHBJDBYOH-AWEZNQCLSA-N 1 0 383.290 2.574 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@@H]2C1 ZINC000376664247 563450266 /nfs/dbraw/zinc/45/02/66/563450266.db2.gz OSURHJAIKIVQTH-NOZJJQNGSA-N 1 0 386.221 2.663 20 5 GFBDRO C[C@]12CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284319775 563470682 /nfs/dbraw/zinc/47/06/82/563470682.db2.gz AXTWJAQDXBSVKC-YUELXQCFSA-N 1 0 375.252 2.850 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332215257 563584061 /nfs/dbraw/zinc/58/40/61/563584061.db2.gz KMAKOCSSMIXWLD-WDEREUQCSA-N 1 0 383.246 2.739 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CCOCC2)c1 ZINC000289812894 563687137 /nfs/dbraw/zinc/68/71/37/563687137.db2.gz IXJMVVWUCIQPQJ-UHFFFAOYSA-N 1 0 376.194 2.716 20 5 GFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289991632 563693638 /nfs/dbraw/zinc/69/36/38/563693638.db2.gz VWFVEVCLPFQMJC-MNOVXSKESA-N 1 0 391.852 2.635 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCSC1 ZINC000437359864 563694735 /nfs/dbraw/zinc/69/47/35/563694735.db2.gz QKQFSZVDRDZLJT-CQSZACIVSA-N 1 0 377.388 2.781 20 5 GFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)cs2)c1 ZINC000290219303 563701942 /nfs/dbraw/zinc/70/19/42/563701942.db2.gz WWFHUGVQRQPISG-GFCCVEGCSA-N 1 0 381.479 2.633 20 5 GFBDRO O=C(NCc1cnc2n1CCCC2)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000367644860 563851116 /nfs/dbraw/zinc/85/11/16/563851116.db2.gz OHALCBSZGFXSKS-UHFFFAOYSA-N 1 0 397.204 2.959 20 5 GFBDRO O=[N+]([O-])c1cccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)c1 ZINC000449766396 564201045 /nfs/dbraw/zinc/20/10/45/564201045.db2.gz NITFMKUGGNKLDR-UHFFFAOYSA-N 1 0 393.241 2.623 20 5 GFBDRO CSc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000565711429 564292930 /nfs/dbraw/zinc/29/29/30/564292930.db2.gz CCPVLOMQFPGVJZ-UHFFFAOYSA-N 1 0 380.491 2.923 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000451910911 564365647 /nfs/dbraw/zinc/36/56/47/564365647.db2.gz PEABBGCYJYXQML-UHFFFAOYSA-N 1 0 377.894 2.955 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567352546 564367677 /nfs/dbraw/zinc/36/76/77/564367677.db2.gz FEVPYDBVEPTDBT-AWEZNQCLSA-N 1 0 394.280 2.666 20 5 GFBDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177946 564394983 /nfs/dbraw/zinc/39/49/83/564394983.db2.gz HLGOOTJDYHHRCH-MFKMUULPSA-N 1 0 378.479 2.998 20 5 GFBDRO C[NH+](C)CCCOC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000485132647 564608432 /nfs/dbraw/zinc/60/84/32/564608432.db2.gz RBXSXVFBQRZPOH-UHFFFAOYSA-N 1 0 387.278 2.689 20 5 GFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804067 564611115 /nfs/dbraw/zinc/61/11/15/564611115.db2.gz PDQLUPHDMLCNEJ-GFCCVEGCSA-N 1 0 378.210 2.696 20 5 GFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cc(Br)cn1 ZINC000573311219 564633078 /nfs/dbraw/zinc/63/30/78/564633078.db2.gz VBAPRDVPVYBIMP-NSHDSACASA-N 1 0 396.245 2.561 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457092074 564646244 /nfs/dbraw/zinc/64/62/44/564646244.db2.gz NITFJMQPRJMBEB-AWEZNQCLSA-N 1 0 384.274 2.841 20 5 GFBDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000577303238 564733950 /nfs/dbraw/zinc/73/39/50/564733950.db2.gz LLJICJQOAYLBJT-VCTAVGKDSA-N 1 0 386.905 2.553 20 5 GFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467050312 564954265 /nfs/dbraw/zinc/95/42/65/564954265.db2.gz ZXIHITZGORELTM-UHFFFAOYSA-N 1 0 375.516 2.707 20 5 GFBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000503590903 565024095 /nfs/dbraw/zinc/02/40/95/565024095.db2.gz CPHUKTOLDCCFCJ-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO C[C@@H]1CC[N@H+](CCNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315434 565160931 /nfs/dbraw/zinc/16/09/31/565160931.db2.gz OBURFSJSJHZBSD-LLVKDONJSA-N 1 0 389.237 2.631 20 5 GFBDRO COc1ccc(Br)cc1C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000592137623 565260699 /nfs/dbraw/zinc/26/06/99/565260699.db2.gz MEMKQQBPNVGLDO-UHFFFAOYSA-N 1 0 381.230 2.841 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000594957812 565438082 /nfs/dbraw/zinc/43/80/82/565438082.db2.gz UYCULQYSUBWNQL-UHFFFAOYSA-N 1 0 393.241 2.580 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410390 565475174 /nfs/dbraw/zinc/47/51/74/565475174.db2.gz LCHYIIOLTVFFQJ-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO CCC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000599183461 565659996 /nfs/dbraw/zinc/65/99/96/565659996.db2.gz OMTCKJVYICSATB-UHFFFAOYSA-N 1 0 399.289 2.834 20 5 GFBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376930 565778965 /nfs/dbraw/zinc/77/89/65/565778965.db2.gz WPZYBHJJXDOYTG-GXTWGEPZSA-N 1 0 385.511 2.602 20 5 GFBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601497504 565787431 /nfs/dbraw/zinc/78/74/31/565787431.db2.gz ZFYPHUZVGQBBLO-UHFFFAOYSA-N 1 0 387.527 2.994 20 5 GFBDRO COC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602705433 565864227 /nfs/dbraw/zinc/86/42/27/565864227.db2.gz FUYRPLAPGWBHBV-GFCCVEGCSA-N 1 0 379.276 2.950 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000610572913 566089078 /nfs/dbraw/zinc/08/90/78/566089078.db2.gz XNOQKPHPCWNFKL-UHFFFAOYSA-N 1 0 391.225 2.715 20 5 GFBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000610657619 566090984 /nfs/dbraw/zinc/09/09/84/566090984.db2.gz FSRHIVOQVKFUGT-UHFFFAOYSA-N 1 0 384.285 2.864 20 5 GFBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000823651993 599317630 /nfs/dbraw/zinc/31/76/30/599317630.db2.gz VGWNZPWCYQFQND-UHFFFAOYSA-N 1 0 394.439 2.768 20 5 GFBDRO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)s1 ZINC000736692695 599528475 /nfs/dbraw/zinc/52/84/75/599528475.db2.gz VJCGJGHPOPLWPC-UHFFFAOYSA-N 1 0 399.480 2.721 20 5 GFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820728854 606138725 /nfs/dbraw/zinc/13/87/25/606138725.db2.gz ZNJGXQVSTPQFOU-OAHLLOKOSA-N 1 0 393.451 2.876 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000817863727 660211042 /nfs/dbraw/zinc/21/10/42/660211042.db2.gz MTVLCPHMAUDZHP-USWWRNFRSA-N 1 0 375.878 2.551 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000832763764 660798992 /nfs/dbraw/zinc/79/89/92/660798992.db2.gz DUAXKKPXJOGHNM-GFCCVEGCSA-N 1 0 375.878 2.660 20 5 GFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123050599 654751443 /nfs/dbraw/zinc/75/14/43/654751443.db2.gz BLHQCMDLDRABFW-CABZTGNLSA-N 1 0 381.376 2.504 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000055574820 654777687 /nfs/dbraw/zinc/77/76/87/654777687.db2.gz OAGUSPKVTLEXOB-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000129548206 654866434 /nfs/dbraw/zinc/86/64/34/654866434.db2.gz KAWZUIFUETUTAD-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940685 654953294 /nfs/dbraw/zinc/95/32/94/654953294.db2.gz RWHCHPGLQPFBNA-JOYOIKCWSA-N 1 0 388.237 2.909 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000268475631 654973618 /nfs/dbraw/zinc/97/36/18/654973618.db2.gz JGLICEMHKXBONP-LLVKDONJSA-N 1 0 385.262 2.665 20 5 GFBDRO NC(=O)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000135171770 655011241 /nfs/dbraw/zinc/01/12/41/655011241.db2.gz UQJHNQOKGOQLSY-OAHLLOKOSA-N 1 0 378.226 2.716 20 5 GFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCOC1 ZINC000107687970 655123624 /nfs/dbraw/zinc/12/36/24/655123624.db2.gz KAXBQWSBMPFIIM-NSHDSACASA-N 1 0 386.246 2.654 20 5 GFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCOC1 ZINC000107687974 655123642 /nfs/dbraw/zinc/12/36/42/655123642.db2.gz KAXBQWSBMPFIIM-LLVKDONJSA-N 1 0 386.246 2.654 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000273009077 655127663 /nfs/dbraw/zinc/12/76/63/655127663.db2.gz IUUCKXHYENIHDY-NSHDSACASA-N 1 0 378.479 2.850 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000108416573 655132286 /nfs/dbraw/zinc/13/22/86/655132286.db2.gz VDTNOHZVOJQBLF-LBPRGKRZSA-N 1 0 375.878 2.649 20 5 GFBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839604122 661095035 /nfs/dbraw/zinc/09/50/35/661095035.db2.gz KSHPZOMRIYHGRJ-UHFFFAOYSA-N 1 0 387.322 2.673 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)C1 ZINC000839518461 661089654 /nfs/dbraw/zinc/08/96/54/661089654.db2.gz BZCGVZAQSBMZJQ-HNNXBMFYSA-N 1 0 397.317 2.569 20 5 GFBDRO C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000577027580 655456452 /nfs/dbraw/zinc/45/64/52/655456452.db2.gz RELFOPLCQNIINM-MNOVXSKESA-N 1 0 389.237 2.724 20 5 GFBDRO C[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000840177605 661144319 /nfs/dbraw/zinc/14/43/19/661144319.db2.gz IUVHVBUVXXLNIM-ZDUSSCGKSA-N 1 0 394.273 2.718 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000579778626 655503952 /nfs/dbraw/zinc/50/39/52/655503952.db2.gz SOUAGIQJZMLTCZ-MJBXVCDLSA-N 1 0 388.205 2.857 20 5 GFBDRO C[NH+]1CCC(N2CC[C@H](Nc3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596123129 655513969 /nfs/dbraw/zinc/51/39/69/655513969.db2.gz NFIOSZBPHWLRBQ-LBPRGKRZSA-N 1 0 383.290 2.938 20 5 GFBDRO CC1CC[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000751268141 655824373 /nfs/dbraw/zinc/82/43/73/655824373.db2.gz UPMBQXABDRMIMF-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841161896 661240401 /nfs/dbraw/zinc/24/04/01/661240401.db2.gz PLBFCFVOTPLHES-OAHLLOKOSA-N 1 0 383.246 2.965 20 5 GFBDRO C[NH+](C)[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccs1 ZINC000771501771 656351408 /nfs/dbraw/zinc/35/14/08/656351408.db2.gz MPWYBWPNTPEULF-GFCCVEGCSA-N 1 0 377.451 2.694 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000784472317 657311543 /nfs/dbraw/zinc/31/15/43/657311543.db2.gz HGWQQHAUFDTFSB-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000796093208 658889419 /nfs/dbraw/zinc/88/94/19/658889419.db2.gz LIVCQOMUBIIDIT-UHFFFAOYSA-N 1 0 375.878 2.745 20 5 GFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000798226315 659085300 /nfs/dbraw/zinc/08/53/00/659085300.db2.gz HPTFZEGCQOIRAM-UHFFFAOYSA-N 1 0 393.868 2.930 20 5 GFBDRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000809973186 659954202 /nfs/dbraw/zinc/95/42/02/659954202.db2.gz VBRLJNLHRCPRLA-LLVKDONJSA-N 1 0 390.267 2.971 20 5 GFBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])O1 ZINC000811487266 660010253 /nfs/dbraw/zinc/01/02/53/660010253.db2.gz UTLIQZKRNKVDGU-YPMHNXCESA-N 1 0 376.240 2.627 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000842863035 661357652 /nfs/dbraw/zinc/35/76/52/661357652.db2.gz FCHINSSVBAJVCM-HAQNSBGRSA-N 1 0 375.878 2.600 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846231459 661539123 /nfs/dbraw/zinc/53/91/23/661539123.db2.gz LTUAMSICMNTXGB-MFKMUULPSA-N 1 0 375.878 2.695 20 5 GFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000846939106 661571557 /nfs/dbraw/zinc/57/15/57/661571557.db2.gz OMNHCCAWRCFSTR-UHFFFAOYSA-N 1 0 386.290 2.682 20 5 GFBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC000851897561 661844858 /nfs/dbraw/zinc/84/48/58/661844858.db2.gz POGKXFKEAPLOOA-NSHDSACASA-N 1 0 382.269 2.520 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000865590015 662430907 /nfs/dbraw/zinc/43/09/07/662430907.db2.gz SWGDWSCGZBQCAR-AWEZNQCLSA-N 1 0 396.285 2.987 20 5 GFBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000866458046 662474611 /nfs/dbraw/zinc/47/46/11/662474611.db2.gz XMYFGBZMPQJKFB-ZYHUDNBSSA-N 1 0 382.258 2.641 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867812923 662579584 /nfs/dbraw/zinc/57/95/84/662579584.db2.gz OAMZNBYNZVCNSW-BXKDBHETSA-N 1 0 394.280 2.616 20 5 GFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868280662 662600403 /nfs/dbraw/zinc/60/04/03/662600403.db2.gz GJJBVRBRKYBTDJ-OCCSQVGLSA-N 1 0 396.285 2.985 20 5 GFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868335049 662602169 /nfs/dbraw/zinc/60/21/69/662602169.db2.gz BWAMDFZIXSQMKD-SWLSCSKDSA-N 1 0 396.285 2.985 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872151145 662756858 /nfs/dbraw/zinc/75/68/58/662756858.db2.gz IOWSIIKVFSNNIY-NXEZZACHSA-N 1 0 382.180 2.926 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874827153 662837653 /nfs/dbraw/zinc/83/76/53/662837653.db2.gz CAGRGZFEVJHSJZ-LSDHHAIUSA-N 1 0 382.258 2.974 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3ccccc3Br)C2)c1 ZINC000877576788 662879338 /nfs/dbraw/zinc/87/93/38/662879338.db2.gz PLEHXQZOLSKMER-QKFMDRJYSA-N 1 0 381.230 2.581 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1NCCC[NH+]1CCC(O)CC1 ZINC000881828603 663005045 /nfs/dbraw/zinc/00/50/45/663005045.db2.gz KSHSHURTXYOXBZ-UHFFFAOYSA-N 1 0 376.226 2.755 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000882345578 663025099 /nfs/dbraw/zinc/02/50/99/663025099.db2.gz JPGVCOAQZLDLRV-UHFFFAOYSA-N 1 0 387.889 2.663 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000889715517 663258096 /nfs/dbraw/zinc/25/80/96/663258096.db2.gz FUCWSKHNQVEQIM-TZMCWYRMSA-N 1 0 397.273 2.593 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000889715515 663258133 /nfs/dbraw/zinc/25/81/33/663258133.db2.gz FUCWSKHNQVEQIM-JSGCOSHPSA-N 1 0 397.273 2.593 20 5 GFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889719161 663259792 /nfs/dbraw/zinc/25/97/92/663259792.db2.gz PETNWIPGKYTKNT-CYBMUJFWSA-N 1 0 385.262 2.593 20 5 GFBDRO COCC[N@H+](C)CCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895713750 663524748 /nfs/dbraw/zinc/52/47/48/663524748.db2.gz UTCGUSJRWJOPRP-UHFFFAOYSA-N 1 0 382.219 2.739 20 5 GFBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897876377 663623396 /nfs/dbraw/zinc/62/33/96/663623396.db2.gz LDTAYSCJINLKKJ-SECBINFHSA-N 1 0 394.230 2.617 20 5 GFBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000907855042 664066050 /nfs/dbraw/zinc/06/60/50/664066050.db2.gz CURCJPVAPUROPC-UHFFFAOYSA-N 1 0 394.280 2.760 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917660873 664488269 /nfs/dbraw/zinc/48/82/69/664488269.db2.gz IYUMSNLFWFAGRI-NSHDSACASA-N 1 0 375.878 2.709 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000925761623 664674400 /nfs/dbraw/zinc/67/44/00/664674400.db2.gz DADHVIWSOURQQK-KFWWJZLASA-N 1 0 384.274 2.604 20 5 GFBDRO C[N@H+](CCCO)C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929659074 664755724 /nfs/dbraw/zinc/75/57/24/664755724.db2.gz ZCWYCMAIBBRPGL-UHFFFAOYSA-N 1 0 386.290 2.636 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251826 664789268 /nfs/dbraw/zinc/78/92/68/664789268.db2.gz BOWOSHBOUNXWSM-YGRLFVJLSA-N 1 0 383.246 2.834 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCCCO)CC2)ccc1Br ZINC000931496936 664796513 /nfs/dbraw/zinc/79/65/13/664796513.db2.gz YKPJVIALXGMMIK-UHFFFAOYSA-N 1 0 386.290 2.638 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813795 720145594 /nfs/dbraw/zinc/14/55/94/720145594.db2.gz QQEMUMGKFALODT-QRWLVFNGSA-N 1 0 385.468 2.656 20 5 GFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729051 720372162 /nfs/dbraw/zinc/37/21/62/720372162.db2.gz UWIUFSADPWETHU-OALUTQOASA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729049 720372914 /nfs/dbraw/zinc/37/29/14/720372914.db2.gz UWIUFSADPWETHU-MOPGFXCFSA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c21 ZINC001164726197 720471947 /nfs/dbraw/zinc/47/19/47/720471947.db2.gz KQBFAENIGMBVGN-SJORKVTESA-N 1 0 376.420 2.786 20 5 GFBDRO c1cnc2c(c1)ccc1ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742362 720653423 /nfs/dbraw/zinc/65/34/23/720653423.db2.gz MZZCZBPOSMLTFY-RTBURBONSA-N 1 0 398.470 2.915 20 5 GFBDRO CCc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604302733 721920619 /nfs/dbraw/zinc/92/06/19/721920619.db2.gz VKZKBRHYFIAYLD-LJQANCHMSA-N 1 0 397.479 2.915 20 5 GFBDRO COC(=O)c1nc(Cl)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165049702 721967124 /nfs/dbraw/zinc/96/71/24/721967124.db2.gz VHXUMBZPGIJHSG-LBPRGKRZSA-N 1 0 397.863 2.670 20 5 GFBDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000501110415 532736853 /nfs/dbraw/zinc/73/68/53/532736853.db2.gz KBJOVXFBHDUVCH-UHFFFAOYSA-N 1 0 397.233 2.759 20 5 GFBDRO CC(C)[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000110117437 551202592 /nfs/dbraw/zinc/20/25/92/551202592.db2.gz PKUVAZBJGRJKMI-UHFFFAOYSA-N 1 0 377.413 2.876 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000130926581 551370507 /nfs/dbraw/zinc/37/05/07/551370507.db2.gz DNBKEJRILATLCK-LBPRGKRZSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154786687 551482604 /nfs/dbraw/zinc/48/26/04/551482604.db2.gz FAZOZTYVNJQZPU-BXUZGUMPSA-N 1 0 382.258 2.595 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000190426573 552496012 /nfs/dbraw/zinc/49/60/12/552496012.db2.gz BINKVOJYPRBBPE-DGCLKSJQSA-N 1 0 382.258 2.914 20 5 GFBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000236872681 553072370 /nfs/dbraw/zinc/07/23/70/553072370.db2.gz ZYLUXIWWKCPKRL-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000237649563 553080095 /nfs/dbraw/zinc/08/00/95/553080095.db2.gz SQZWFVCWIOZETD-GFCCVEGCSA-N 1 0 378.479 2.993 20 5 GFBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237973891 553084608 /nfs/dbraw/zinc/08/46/08/553084608.db2.gz RICWUAPYIZOFGL-VIFPVBQESA-N 1 0 384.223 2.651 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369538675 563216513 /nfs/dbraw/zinc/21/65/13/563216513.db2.gz DMFWFSAWDWGKIQ-YGRLFVJLSA-N 1 0 387.508 2.689 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000295179957 563233192 /nfs/dbraw/zinc/23/31/92/563233192.db2.gz IKPLSNHRFZASFN-SECBINFHSA-N 1 0 394.280 2.664 20 5 GFBDRO C[C@H]1CC2(CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC[NH2+]CC2 ZINC000424222151 563374566 /nfs/dbraw/zinc/37/45/66/563374566.db2.gz CULGVIJDROUPOV-LBPRGKRZSA-N 1 0 396.285 2.890 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299203013 563377941 /nfs/dbraw/zinc/37/79/41/563377941.db2.gz GIUFACUVQDVCLB-UHFFFAOYSA-N 1 0 387.889 2.887 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)C1 ZINC000301649776 563409554 /nfs/dbraw/zinc/40/95/54/563409554.db2.gz FRZCTYHBJDBYOH-CQSZACIVSA-N 1 0 383.290 2.574 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000375550133 563409734 /nfs/dbraw/zinc/40/97/34/563409734.db2.gz ZSQLJQSHBKZUAY-CYBMUJFWSA-N 1 0 381.230 2.835 20 5 GFBDRO C[C@H]1CCC[C@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301935142 563416174 /nfs/dbraw/zinc/41/61/74/563416174.db2.gz PBBJJRLJEVVNLX-NHYWBVRUSA-N 1 0 375.516 2.982 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000320280611 563446031 /nfs/dbraw/zinc/44/60/31/563446031.db2.gz NUERSXKARQJJRU-OAHLLOKOSA-N 1 0 381.226 2.887 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCSCc2ccccc2)cc1 ZINC000430774516 563549101 /nfs/dbraw/zinc/54/91/01/563549101.db2.gz CPACWGIHSLPPTF-UHFFFAOYSA-N 1 0 380.491 2.892 20 5 GFBDRO Cc1c(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332215253 563583970 /nfs/dbraw/zinc/58/39/70/563583970.db2.gz KMAKOCSSMIXWLD-GHMZBOCLSA-N 1 0 383.246 2.739 20 5 GFBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289640399 563681259 /nfs/dbraw/zinc/68/12/59/563681259.db2.gz XPQQILJMKUOIBK-NXEZZACHSA-N 1 0 378.210 2.696 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805946 563721834 /nfs/dbraw/zinc/72/18/34/563721834.db2.gz RUIYODSOSFJOLP-CABZTGNLSA-N 1 0 396.296 2.862 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363517268 563725192 /nfs/dbraw/zinc/72/51/92/563725192.db2.gz ZOZXNLFHONBVRV-GHMZBOCLSA-N 1 0 375.397 2.630 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000440088335 563736329 /nfs/dbraw/zinc/73/63/29/563736329.db2.gz NOZKEJJNTDQSAM-LBPRGKRZSA-N 1 0 375.878 2.708 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364260860 563747776 /nfs/dbraw/zinc/74/77/76/563747776.db2.gz LDRYOASVMVSGKP-UHFFFAOYSA-N 1 0 382.258 2.963 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000292023040 563769825 /nfs/dbraw/zinc/76/98/25/563769825.db2.gz VQEUPXUDQUWDLJ-NSHDSACASA-N 1 0 388.251 2.696 20 5 GFBDRO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365539517 563785925 /nfs/dbraw/zinc/78/59/25/563785925.db2.gz PZRFOVKVSAYLHG-GUTXKFCHSA-N 1 0 394.269 2.914 20 5 GFBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416662693 563859280 /nfs/dbraw/zinc/85/92/80/563859280.db2.gz OZEIMZRSYJBQKA-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000564249358 564225537 /nfs/dbraw/zinc/22/55/37/564225537.db2.gz BBDDTVYFBGNZNW-GFCCVEGCSA-N 1 0 375.516 2.538 20 5 GFBDRO CC[N@@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000564400087 564231373 /nfs/dbraw/zinc/23/13/73/564231373.db2.gz PDOLKYLWZBXLKE-NSHDSACASA-N 1 0 389.237 2.725 20 5 GFBDRO C[C@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCO[C@H]1C1CC1 ZINC000543236649 564343548 /nfs/dbraw/zinc/34/35/48/564343548.db2.gz VLKBEBOIYQULOW-HOTGVXAUSA-N 1 0 398.257 2.843 20 5 GFBDRO C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177944 564395135 /nfs/dbraw/zinc/39/51/35/564395135.db2.gz HLGOOTJDYHHRCH-GWCFXTLKSA-N 1 0 378.479 2.998 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000480761352 564487775 /nfs/dbraw/zinc/48/77/75/564487775.db2.gz SICKSYADUSBUBR-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000573787757 564654022 /nfs/dbraw/zinc/65/40/22/564654022.db2.gz MZLSKHUXAKISDZ-CQSZACIVSA-N 1 0 387.221 2.779 20 5 GFBDRO Cn1cnc([N+](=O)[O-])c1N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000575346242 564696846 /nfs/dbraw/zinc/69/68/46/564696846.db2.gz WVIYORFFUMNLNY-UHFFFAOYSA-N 1 0 395.217 2.587 20 5 GFBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749215 564760189 /nfs/dbraw/zinc/76/01/89/564760189.db2.gz GZKOGXRYNIBHAA-UONOGXRCSA-N 1 0 398.257 2.843 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000583841927 564909837 /nfs/dbraw/zinc/90/98/37/564909837.db2.gz SFTSFHWMKHKDHQ-QMTHXVAHSA-N 1 0 390.221 2.840 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047026 564954690 /nfs/dbraw/zinc/95/46/90/564954690.db2.gz AKYINXSNROLUNV-TUAOUCFPSA-N 1 0 375.516 2.609 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000562036207 565016345 /nfs/dbraw/zinc/01/63/45/565016345.db2.gz GCJHNEHZUWRIAX-UHFFFAOYSA-N 1 0 390.221 2.936 20 5 GFBDRO CC[N@H+](CCNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000589311556 565161409 /nfs/dbraw/zinc/16/14/09/565161409.db2.gz LYLYITUJBFFJPP-UHFFFAOYSA-N 1 0 389.237 2.773 20 5 GFBDRO CN(CCC[NH+](C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589518473 565165109 /nfs/dbraw/zinc/16/51/09/565165109.db2.gz PPXWBBOPWVHWAS-UHFFFAOYSA-N 1 0 377.226 2.583 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2Br)c1 ZINC000591724909 565237928 /nfs/dbraw/zinc/23/79/28/565237928.db2.gz PVDYFBQXPCPANF-CQSZACIVSA-N 1 0 381.226 2.887 20 5 GFBDRO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000595905410 565497504 /nfs/dbraw/zinc/49/75/04/565497504.db2.gz NRICBZFYXHHESS-OAHLLOKOSA-N 1 0 386.290 2.900 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000599009887 565654340 /nfs/dbraw/zinc/65/43/40/565654340.db2.gz NXZZVQXVLKWJRG-JSGCOSHPSA-N 1 0 388.205 2.857 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC/C=C/c2ccc(Br)cc2)c1 ZINC000600747630 565748188 /nfs/dbraw/zinc/74/81/88/565748188.db2.gz QEHSDQGSPKDTOQ-VQRJYJFOSA-N 1 0 395.257 2.608 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000602493318 565852238 /nfs/dbraw/zinc/85/22/38/565852238.db2.gz SSQCLNXJNCSHOD-UHFFFAOYSA-N 1 0 382.258 2.963 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000602541857 565853804 /nfs/dbraw/zinc/85/38/04/565853804.db2.gz RHFROWYESYDDQG-GWCFXTLKSA-N 1 0 377.388 2.673 20 5 GFBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602654895 565861417 /nfs/dbraw/zinc/86/14/17/565861417.db2.gz RETFTWHCPLYPLS-KCJUWKMLSA-N 1 0 381.292 2.666 20 5 GFBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@]1(O)CCOC1 ZINC000602697962 565864094 /nfs/dbraw/zinc/86/40/94/565864094.db2.gz RIGZBZXTGDPGDT-CYBMUJFWSA-N 1 0 379.276 2.686 20 5 GFBDRO CC(C)(C)OC(=O)COCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602731073 565866585 /nfs/dbraw/zinc/86/65/85/565866585.db2.gz CFGRFPZZBYKISG-UHFFFAOYSA-N 1 0 395.275 2.867 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000602831045 565870823 /nfs/dbraw/zinc/87/08/23/565870823.db2.gz YPZLKIJFHWOJQF-CYBMUJFWSA-N 1 0 381.230 2.976 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000603240561 565891609 /nfs/dbraw/zinc/89/16/09/565891609.db2.gz YOSGAFCTLBAJPI-NSHDSACASA-N 1 0 380.246 2.539 20 5 GFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609352661 566036841 /nfs/dbraw/zinc/03/68/41/566036841.db2.gz BYCAYZQATKVSSU-TXEJJXNPSA-N 1 0 375.878 2.789 20 5 GFBDRO CC(C)[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000735882285 599258292 /nfs/dbraw/zinc/25/82/92/599258292.db2.gz OSSHIGDATNZILX-UHFFFAOYSA-N 1 0 382.428 2.608 20 5 GFBDRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318560 607530583 /nfs/dbraw/zinc/53/05/83/607530583.db2.gz PKHRUWGZDYXDDI-SFHVURJKSA-N 1 0 382.424 2.721 20 5 GFBDRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318559 607530724 /nfs/dbraw/zinc/53/07/24/607530724.db2.gz PKHRUWGZDYXDDI-GOSISDBHSA-N 1 0 382.424 2.721 20 5 GFBDRO Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563204982 602315489 /nfs/dbraw/zinc/31/54/89/602315489.db2.gz CCYBYKYNZHIKJQ-UHFFFAOYSA-N 1 0 399.451 2.621 20 5 GFBDRO O=C1OCCN1C[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000823205424 660365004 /nfs/dbraw/zinc/36/50/04/660365004.db2.gz OYWUCWRCGROZKN-NSHDSACASA-N 1 0 384.230 2.631 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCC[NH+]2CCCC2)c1Cl ZINC000829798099 660614431 /nfs/dbraw/zinc/61/44/31/660614431.db2.gz QMGWXVKHVGEWMJ-UHFFFAOYSA-N 1 0 382.269 2.666 20 5 GFBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832298378 660772144 /nfs/dbraw/zinc/77/21/44/660772144.db2.gz MUNZUJUTLYWLTB-UHFFFAOYSA-N 1 0 381.857 2.786 20 5 GFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267978708 654954930 /nfs/dbraw/zinc/95/49/30/654954930.db2.gz XGMGJHPSGFBFOF-UHFFFAOYSA-N 1 0 386.221 2.853 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CC3CCOCC3)CC2)ccc1Br ZINC000271212208 655070675 /nfs/dbraw/zinc/07/06/75/655070675.db2.gz YSDKKPWYBRHAFW-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000839500772 661087898 /nfs/dbraw/zinc/08/78/98/661087898.db2.gz MGHMVFCLZPHUNM-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000116907547 655256599 /nfs/dbraw/zinc/25/65/99/655256599.db2.gz MGGUZXWSJATWSL-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO C[NH+](C)CCc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000276343305 655271913 /nfs/dbraw/zinc/27/19/13/655271913.db2.gz SJGYHXFUNKECQS-UHFFFAOYSA-N 1 0 383.495 2.776 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[N+](=O)[O-])n1 ZINC000178746973 655309207 /nfs/dbraw/zinc/30/92/07/655309207.db2.gz OUPDHOPRQWXRPW-LBPRGKRZSA-N 1 0 378.479 2.993 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247979590 655432152 /nfs/dbraw/zinc/43/21/52/655432152.db2.gz MCCPMQUZFCFCMM-JSGCOSHPSA-N 1 0 387.889 2.661 20 5 GFBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])ccc3I)n2)CCC1 ZINC000261757040 655442189 /nfs/dbraw/zinc/44/21/89/655442189.db2.gz MDPXQZXKXOAISK-UHFFFAOYSA-N 1 0 386.149 2.587 20 5 GFBDRO CN(C)c1cccc(NCc2cc(I)cc([N+](=O)[O-])c2)[nH+]1 ZINC000578102173 655472578 /nfs/dbraw/zinc/47/25/78/655472578.db2.gz VEJRDIJZPHLKQN-UHFFFAOYSA-N 1 0 398.204 2.694 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000725822607 655526938 /nfs/dbraw/zinc/52/69/38/655526938.db2.gz HUIHPOXTXLIVTJ-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840465465 661164401 /nfs/dbraw/zinc/16/44/01/661164401.db2.gz KWCKMZLRUCIINL-GDBMZVCRSA-N 1 0 396.285 2.537 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000761883469 656023540 /nfs/dbraw/zinc/02/35/40/656023540.db2.gz WNXDTQOIWHPXSN-CYBMUJFWSA-N 1 0 385.262 2.808 20 5 GFBDRO CC(C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000768806365 656252087 /nfs/dbraw/zinc/25/20/87/656252087.db2.gz ZPIZYNBQSPJCMN-CQSZACIVSA-N 1 0 375.516 2.691 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000771555471 656352734 /nfs/dbraw/zinc/35/27/34/656352734.db2.gz GGOPPGXMXRUNBS-LBPRGKRZSA-N 1 0 375.878 2.708 20 5 GFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)n1 ZINC000785873772 657391691 /nfs/dbraw/zinc/39/16/91/657391691.db2.gz SAOYEEHKGMLASX-HNNXBMFYSA-N 1 0 395.257 2.924 20 5 GFBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000794050343 658481985 /nfs/dbraw/zinc/48/19/85/658481985.db2.gz GELYKDAAPDQALS-ZDUSSCGKSA-N 1 0 381.479 2.728 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796113023 658893450 /nfs/dbraw/zinc/89/34/50/658893450.db2.gz GDUOUJWTYXTBAL-QWHCGFSZSA-N 1 0 387.889 2.804 20 5 GFBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809386299 659925586 /nfs/dbraw/zinc/92/55/86/659925586.db2.gz MLAULVSNUOXDQS-UHFFFAOYSA-N 1 0 384.285 2.768 20 5 GFBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809814014 659941356 /nfs/dbraw/zinc/94/13/56/659941356.db2.gz WHCGYNVBTLTABF-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817470 659941723 /nfs/dbraw/zinc/94/17/23/659941723.db2.gz CBNWVCWJMQGWTB-JTQLQIEISA-N 1 0 396.296 2.864 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814980923 660099909 /nfs/dbraw/zinc/09/99/09/660099909.db2.gz VDDGURFNGXNGFQ-LLVKDONJSA-N 1 0 393.868 2.930 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000814986143 660100028 /nfs/dbraw/zinc/10/00/28/660100028.db2.gz HYXRFKDIDMCDFT-UHFFFAOYSA-N 1 0 393.868 2.930 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815018718 660102123 /nfs/dbraw/zinc/10/21/23/660102123.db2.gz YZMMGZGHDNXFRE-ZWNOBZJWSA-N 1 0 393.868 2.738 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029568 660104161 /nfs/dbraw/zinc/10/41/61/660104161.db2.gz ARHZYNALIJVGPB-JTQLQIEISA-N 1 0 393.868 2.738 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000817147478 660183693 /nfs/dbraw/zinc/18/36/93/660183693.db2.gz QVMSXMIIGSDMPV-UHFFFAOYSA-N 1 0 375.878 2.708 20 5 GFBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2CN1 ZINC000842480997 661341185 /nfs/dbraw/zinc/34/11/85/661341185.db2.gz CTNLADWGBXGYCV-LLVKDONJSA-N 1 0 381.841 2.935 20 5 GFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000843124604 661370391 /nfs/dbraw/zinc/37/03/91/661370391.db2.gz CYGWAGNUYIICNC-ZBFHGGJFSA-N 1 0 384.274 2.686 20 5 GFBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000848476278 661653025 /nfs/dbraw/zinc/65/30/25/661653025.db2.gz YREXSKRGMUHIMA-DTORHVGOSA-N 1 0 382.269 2.520 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000864883448 662389507 /nfs/dbraw/zinc/38/95/07/662389507.db2.gz AAUGYPNZPGDTCZ-KGLIPLIRSA-N 1 0 382.258 2.643 20 5 GFBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000867350273 662544311 /nfs/dbraw/zinc/54/43/11/662544311.db2.gz ZMLIYYNWDPYVRE-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO C[C@]([NH3+])(C(=O)NCCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000867927980 662587757 /nfs/dbraw/zinc/58/77/57/662587757.db2.gz SVZUBTSEMZUNJB-OAHLLOKOSA-N 1 0 398.282 2.952 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874827151 662837618 /nfs/dbraw/zinc/83/76/18/662837618.db2.gz CAGRGZFEVJHSJZ-GJZGRUSLSA-N 1 0 382.258 2.974 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(F)(F)F ZINC000877366306 662874738 /nfs/dbraw/zinc/87/47/38/662874738.db2.gz VEWZJUCTKQPVDZ-GMSGAONNSA-N 1 0 396.163 2.567 20 5 GFBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881952653 663010835 /nfs/dbraw/zinc/01/08/35/663010835.db2.gz PFZDVXGZLCLYGS-SNVBAGLBSA-N 1 0 375.242 2.544 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882768642 663041198 /nfs/dbraw/zinc/04/11/98/663041198.db2.gz MFDQQSPAPPLGFU-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000885886198 663100503 /nfs/dbraw/zinc/10/05/03/663100503.db2.gz SUKPHQLOFWCVII-LBPRGKRZSA-N 1 0 388.251 2.885 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756611 663263617 /nfs/dbraw/zinc/26/36/17/663263617.db2.gz PEPPCDZXZTWPQM-ZIAGYGMSSA-N 1 0 388.251 2.573 20 5 GFBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000895611000 663520928 /nfs/dbraw/zinc/52/09/28/663520928.db2.gz NZJKMTLTLNWVIY-OLZOCXBDSA-N 1 0 391.287 2.803 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC([NH+]2CCCC2)C1 ZINC000898608082 663657752 /nfs/dbraw/zinc/65/77/52/663657752.db2.gz FXGIBVXDUKQLKY-UHFFFAOYSA-N 1 0 388.649 2.931 20 5 GFBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000899557748 663693745 /nfs/dbraw/zinc/69/37/45/663693745.db2.gz YVOIPYJIZUDPKI-UHFFFAOYSA-N 1 0 397.273 2.843 20 5 GFBDRO CSC1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000908286602 664097279 /nfs/dbraw/zinc/09/72/79/664097279.db2.gz WETDVEVBPFWQJH-UHFFFAOYSA-N 1 0 375.853 2.945 20 5 GFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625850 719112492 /nfs/dbraw/zinc/11/24/92/719112492.db2.gz HEMJMSQGHWOHRG-QFBILLFUSA-N 1 0 396.447 2.877 20 5 GFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c21 ZINC001164726187 720471621 /nfs/dbraw/zinc/47/16/21/720471621.db2.gz KQBFAENIGMBVGN-DLBZAZTESA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164740789 720595291 /nfs/dbraw/zinc/59/52/91/720595291.db2.gz IZGLVANOAQINDA-UHFFFAOYSA-N 1 0 392.463 2.998 20 5 GFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961891 722052263 /nfs/dbraw/zinc/05/22/63/722052263.db2.gz XNRGIDPKEOSEPS-UHFFFAOYSA-N 1 0 397.479 2.812 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000125691886 551323213 /nfs/dbraw/zinc/32/32/13/551323213.db2.gz MWPKTNKUMIYTHN-TZMCWYRMSA-N 1 0 385.511 2.602 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Br)c1 ZINC000132820414 551379097 /nfs/dbraw/zinc/37/90/97/551379097.db2.gz OHWASNMCNKYKIK-CABCVRRESA-N 1 0 399.289 2.932 20 5 GFBDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000153026722 551445321 /nfs/dbraw/zinc/44/53/21/551445321.db2.gz GKDMHNJKGVHXCU-AAEUAGOBSA-N 1 0 384.274 2.841 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173626814 552089468 /nfs/dbraw/zinc/08/94/68/552089468.db2.gz STZGWTJSPMEJKI-CYBMUJFWSA-N 1 0 387.889 2.745 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173955173 552095833 /nfs/dbraw/zinc/09/58/33/552095833.db2.gz LBTQNGRKVNBQBM-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728693 552145168 /nfs/dbraw/zinc/14/51/68/552145168.db2.gz IRGQCJZJCXWQKG-LBPRGKRZSA-N 1 0 375.878 2.519 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000178768065 552174820 /nfs/dbraw/zinc/17/48/20/552174820.db2.gz JOUOTIRXNLBIEN-UHFFFAOYSA-N 1 0 382.258 2.976 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000179078332 552183798 /nfs/dbraw/zinc/18/37/98/552183798.db2.gz BAMXMDYXYXJOFF-LBPRGKRZSA-N 1 0 378.479 2.945 20 5 GFBDRO NC(=O)[C@H](NCCNc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000179215452 552187243 /nfs/dbraw/zinc/18/72/43/552187243.db2.gz SVCMVYUFFDAQNB-OAHLLOKOSA-N 1 0 393.241 2.585 20 5 GFBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000181512511 552259092 /nfs/dbraw/zinc/25/90/92/552259092.db2.gz YPDUOMBOYKEZED-HNNXBMFYSA-N 1 0 383.495 2.984 20 5 GFBDRO CCCC[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000182135175 552276295 /nfs/dbraw/zinc/27/62/95/552276295.db2.gz GONILBYTDLCTBM-UHFFFAOYSA-N 1 0 388.262 2.780 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000183726351 552318224 /nfs/dbraw/zinc/31/82/24/552318224.db2.gz GBJDXJPNYGYGFH-NWDGAFQWSA-N 1 0 375.878 2.517 20 5 GFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000188250864 552440512 /nfs/dbraw/zinc/44/05/12/552440512.db2.gz FADVGBODRZIDNL-UHFFFAOYSA-N 1 0 377.894 2.991 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246899200 553114776 /nfs/dbraw/zinc/11/47/76/553114776.db2.gz JQMLCXAPBCMVLY-NHYWBVRUSA-N 1 0 382.258 2.914 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418948362 563231936 /nfs/dbraw/zinc/23/19/36/563231936.db2.gz TXPBIXDAIWWBCU-SNVBAGLBSA-N 1 0 390.225 2.515 20 5 GFBDRO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295229168 563236747 /nfs/dbraw/zinc/23/67/47/563236747.db2.gz BJYJLZCGNUSSHM-LLVKDONJSA-N 1 0 382.258 2.914 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000374115444 563362566 /nfs/dbraw/zinc/36/25/66/563362566.db2.gz RHSGXIASNIKJJI-QWHCGFSZSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCC12CCC[NH+]1CCC2 ZINC000280984325 563362981 /nfs/dbraw/zinc/36/29/81/563362981.db2.gz NSBTVFSQELZCJG-UHFFFAOYSA-N 1 0 375.397 2.631 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281227326 563370417 /nfs/dbraw/zinc/37/04/17/563370417.db2.gz RUSHHQYCAKYQBE-LLVKDONJSA-N 1 0 393.868 2.740 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281228943 563370525 /nfs/dbraw/zinc/37/05/25/563370525.db2.gz RUSHHQYCAKYQBE-NSHDSACASA-N 1 0 393.868 2.740 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301142607 563393680 /nfs/dbraw/zinc/39/36/80/563393680.db2.gz HANRFNYPRRXVHZ-GFCCVEGCSA-N 1 0 387.221 2.874 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301591371 563408238 /nfs/dbraw/zinc/40/82/38/563408238.db2.gz QUKOYYRSGWOFFE-WDEREUQCSA-N 1 0 377.413 2.876 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378223998 563498848 /nfs/dbraw/zinc/49/88/48/563498848.db2.gz HYEHJCVQKABNAW-HNNXBMFYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000405209062 563538027 /nfs/dbraw/zinc/53/80/27/563538027.db2.gz BVSBOKPMXLXKJJ-IINYFYTJSA-N 1 0 375.878 2.695 20 5 GFBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000289473559 563675018 /nfs/dbraw/zinc/67/50/18/563675018.db2.gz HOGUEPGPCDQJSF-VIFPVBQESA-N 1 0 386.193 2.784 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCO3)o2)c(Br)c1 ZINC000415093125 563758562 /nfs/dbraw/zinc/75/85/62/563758562.db2.gz HNMRUPKRKIPBMK-ZDUSSCGKSA-N 1 0 396.241 2.695 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366418250 563807753 /nfs/dbraw/zinc/80/77/53/563807753.db2.gz MIXZDZKCRSUXFW-BBRMVZONSA-N 1 0 396.285 2.890 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000537941807 564178411 /nfs/dbraw/zinc/17/84/11/564178411.db2.gz DMLSKVHMMQKPGZ-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO C[C@@](O)(C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000563617854 564199168 /nfs/dbraw/zinc/19/91/68/564199168.db2.gz VFLSOVWHRSRIRX-LLVKDONJSA-N 1 0 375.269 2.928 20 5 GFBDRO O=[N+]([O-])c1ccccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449765139 564200653 /nfs/dbraw/zinc/20/06/53/564200653.db2.gz GQBOXRQHUGGHKW-UHFFFAOYSA-N 1 0 393.241 2.623 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000450266602 564224799 /nfs/dbraw/zinc/22/47/99/564224799.db2.gz RVNPGKIPCFVWAH-QWHCGFSZSA-N 1 0 377.388 2.731 20 5 GFBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502645 564319895 /nfs/dbraw/zinc/31/98/95/564319895.db2.gz PIXPPPFIXJSLDY-OLZOCXBDSA-N 1 0 386.246 2.699 20 5 GFBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570093170 564491600 /nfs/dbraw/zinc/49/16/00/564491600.db2.gz GOPBIHXADRBESY-NSHDSACASA-N 1 0 381.376 2.506 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000554969215 564779807 /nfs/dbraw/zinc/77/98/07/564779807.db2.gz GUQVWLMOIIGGGL-UHFFFAOYSA-N 1 0 398.200 2.982 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000562047494 565016403 /nfs/dbraw/zinc/01/64/03/565016403.db2.gz QLMSSBXLLMOSLJ-GFCCVEGCSA-N 1 0 376.194 2.810 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CCC(O)CC2)c1 ZINC000589309142 565159590 /nfs/dbraw/zinc/15/95/90/565159590.db2.gz FTLBGNRIMCIWBE-UHFFFAOYSA-N 1 0 376.194 2.593 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000589314810 565161863 /nfs/dbraw/zinc/16/18/63/565161863.db2.gz YOYVDVWIQNMHCB-LBPRGKRZSA-N 1 0 398.204 2.570 20 5 GFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2C1 ZINC000591681287 565236037 /nfs/dbraw/zinc/23/60/37/565236037.db2.gz BUHSBUHOQRIUGW-SNVBAGLBSA-N 1 0 391.225 2.821 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000591894670 565243587 /nfs/dbraw/zinc/24/35/87/565243587.db2.gz WMXBMEVCXKGQSU-SMDDNHRTSA-N 1 0 382.258 2.962 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC12CCC[NH+]1CCC2 ZINC000619573922 565349181 /nfs/dbraw/zinc/34/91/81/565349181.db2.gz DOUCEEPFEUWWSE-UHFFFAOYSA-N 1 0 382.258 2.644 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789682 565421472 /nfs/dbraw/zinc/42/14/72/565421472.db2.gz KBVNFTNQQRKIDE-LLVKDONJSA-N 1 0 375.878 2.647 20 5 GFBDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596065514 565512257 /nfs/dbraw/zinc/51/22/57/565512257.db2.gz HWDIQBSHFKPGQR-GDBMZVCRSA-N 1 0 397.273 2.526 20 5 GFBDRO Cc1c(Br)c(N2CCO[C@H](CCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000596565390 565527678 /nfs/dbraw/zinc/52/76/78/565527678.db2.gz HLDQATOIQVWPGC-GFCCVEGCSA-N 1 0 387.278 2.608 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1Br ZINC000602516102 565853050 /nfs/dbraw/zinc/85/30/50/565853050.db2.gz HEAYIXIMJIORCG-SNVBAGLBSA-N 1 0 398.286 2.967 20 5 GFBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602654894 565861183 /nfs/dbraw/zinc/86/11/83/565861183.db2.gz RETFTWHCPLYPLS-GZMMTYOYSA-N 1 0 381.292 2.666 20 5 GFBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602654896 565861513 /nfs/dbraw/zinc/86/15/13/565861513.db2.gz RETFTWHCPLYPLS-KWQFWETISA-N 1 0 381.292 2.666 20 5 GFBDRO C[C@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[NH+](C)C ZINC000609874011 566056138 /nfs/dbraw/zinc/05/61/38/566056138.db2.gz FKEHDIVHIYVCBY-SECBINFHSA-N 1 0 386.239 2.767 20 5 GFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000610045647 566062970 /nfs/dbraw/zinc/06/29/70/566062970.db2.gz SFVVECTZECCJTO-UHFFFAOYSA-N 1 0 388.181 2.612 20 5 GFBDRO C[NH+](C)[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000736758797 599254525 /nfs/dbraw/zinc/25/45/25/599254525.db2.gz ILRRMESJHPKHDS-HNNXBMFYSA-N 1 0 394.395 2.631 20 5 GFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000822060985 599392209 /nfs/dbraw/zinc/39/22/09/599392209.db2.gz KJFSZVOEDREJLI-OLZOCXBDSA-N 1 0 395.423 2.761 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823644652 599591244 /nfs/dbraw/zinc/59/12/44/599591244.db2.gz JXDCEGQWYLXURB-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1C[NH3+] ZINC000818024094 660214224 /nfs/dbraw/zinc/21/42/24/660214224.db2.gz MDPOWRKXORVBMX-UTLUCORTSA-N 1 0 388.237 2.942 20 5 GFBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830434886 660656320 /nfs/dbraw/zinc/65/63/20/660656320.db2.gz NWAUAELCYSRJMP-SECBINFHSA-N 1 0 382.269 2.522 20 5 GFBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830923938 660686517 /nfs/dbraw/zinc/68/65/17/660686517.db2.gz MKXRXGCRLNLAQE-UHFFFAOYSA-N 1 0 384.285 2.862 20 5 GFBDRO C[C@@H]1[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@@H+]1C ZINC000831516512 660711891 /nfs/dbraw/zinc/71/18/91/660711891.db2.gz HNWHRGAQLVFYIG-GHMZBOCLSA-N 1 0 382.258 2.582 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)COC3)o2)c(Br)c1 ZINC000123030935 654750718 /nfs/dbraw/zinc/75/07/18/654750718.db2.gz UBKMDJGNZRQSRF-UHFFFAOYSA-N 1 0 397.225 2.716 20 5 GFBDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000123995976 654768291 /nfs/dbraw/zinc/76/82/91/654768291.db2.gz IEASLQQVPULJJK-VXGBXAGGSA-N 1 0 399.289 2.710 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124615593 654779508 /nfs/dbraw/zinc/77/95/08/654779508.db2.gz IGXHHLZZXSNEAR-ABAIWWIYSA-N 1 0 382.258 2.914 20 5 GFBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056516020 654796501 /nfs/dbraw/zinc/79/65/01/654796501.db2.gz KWPGRPWDLPXGCU-UHFFFAOYSA-N 1 0 395.257 2.889 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000267080391 654909369 /nfs/dbraw/zinc/90/93/69/654909369.db2.gz GKKVDAUNYYKPKG-AWEZNQCLSA-N 1 0 377.388 2.781 20 5 GFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215915 654963682 /nfs/dbraw/zinc/96/36/82/654963682.db2.gz PJOKYCNRTUZCDI-PRHODGIISA-N 1 0 386.221 2.709 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269001222 654994771 /nfs/dbraw/zinc/99/47/71/654994771.db2.gz PDHMLSAUVNDUQG-SMDDNHRTSA-N 1 0 382.258 2.914 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272824181 655122279 /nfs/dbraw/zinc/12/22/79/655122279.db2.gz JPKXTJSHEIKPQG-GFCCVEGCSA-N 1 0 375.516 2.840 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000109389535 655145957 /nfs/dbraw/zinc/14/59/57/655145957.db2.gz OJNQWOXYKAYULK-LBPRGKRZSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000273539163 655147182 /nfs/dbraw/zinc/14/71/82/655147182.db2.gz STTJTUSPNNDDCE-NSHDSACASA-N 1 0 375.878 2.599 20 5 GFBDRO CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174823616 655208698 /nfs/dbraw/zinc/20/86/98/655208698.db2.gz PEGMKXJHAMCPEE-AWEZNQCLSA-N 1 0 375.878 2.542 20 5 GFBDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119414310 655303437 /nfs/dbraw/zinc/30/34/37/655303437.db2.gz ZBQSECXOOMYAKZ-UHFFFAOYSA-N 1 0 385.467 2.534 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000120137902 655329056 /nfs/dbraw/zinc/32/90/56/655329056.db2.gz ADLNYABQBAHZFD-CYBMUJFWSA-N 1 0 389.905 2.895 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)C1 ZINC000293616150 655360064 /nfs/dbraw/zinc/36/00/64/655360064.db2.gz DCVBQUDWCBEJSM-OAHLLOKOSA-N 1 0 386.221 2.664 20 5 GFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365488645 655394428 /nfs/dbraw/zinc/39/44/28/655394428.db2.gz WZQIXIIMFVFFNV-YUTCNCBUSA-N 1 0 394.269 2.914 20 5 GFBDRO C[NH+](C)CCOc1ccccc1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000576080670 655442733 /nfs/dbraw/zinc/44/27/33/655442733.db2.gz ILFZHGMAGOKXHT-UHFFFAOYSA-N 1 0 395.257 2.727 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000262135787 655444067 /nfs/dbraw/zinc/44/40/67/655444067.db2.gz DLQXBBHNVOYNTN-GFCCVEGCSA-N 1 0 381.841 2.635 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000725821978 655526883 /nfs/dbraw/zinc/52/68/83/655526883.db2.gz PPKUPSFKOIODFT-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000752234786 655841163 /nfs/dbraw/zinc/84/11/63/655841163.db2.gz IKSLNGZEBJATFB-LBPRGKRZSA-N 1 0 389.905 2.957 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000769492859 656278139 /nfs/dbraw/zinc/27/81/39/656278139.db2.gz NXZWMEVNWUUTLM-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000772980390 656396319 /nfs/dbraw/zinc/39/63/19/656396319.db2.gz WKHAEQIEOGPNST-LBPRGKRZSA-N 1 0 383.495 2.913 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000784719617 657324099 /nfs/dbraw/zinc/32/40/99/657324099.db2.gz DGWWREKYPDPUOA-DGCLKSJQSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000788915419 657796826 /nfs/dbraw/zinc/79/68/26/657796826.db2.gz KSJUPDIHMROKGI-LRDDRELGSA-N 1 0 383.495 2.934 20 5 GFBDRO C[N@H+](CC1CCOCC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795442629 658819657 /nfs/dbraw/zinc/81/96/57/658819657.db2.gz AHPGSOWYEHJWAS-UHFFFAOYSA-N 1 0 398.257 2.629 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000796116033 658893791 /nfs/dbraw/zinc/89/37/91/658893791.db2.gz RPCQMGNGQFFXHA-QWHCGFSZSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000796284551 658909940 /nfs/dbraw/zinc/90/99/40/658909940.db2.gz LXCZSWMRTXOMTB-DLBZAZTESA-N 1 0 395.253 2.888 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161548 659077403 /nfs/dbraw/zinc/07/74/03/659077403.db2.gz AVBXZYRJCDPNJU-VXGBXAGGSA-N 1 0 399.289 2.850 20 5 GFBDRO Cc1ccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1Br ZINC000804461472 659648731 /nfs/dbraw/zinc/64/87/31/659648731.db2.gz IIZHXDXOHVCKGY-CQSZACIVSA-N 1 0 397.317 2.882 20 5 GFBDRO C[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809813571 659941006 /nfs/dbraw/zinc/94/10/06/659941006.db2.gz HKFCZHRVKVHZAD-UHFFFAOYSA-N 1 0 396.296 2.912 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814981024 660099945 /nfs/dbraw/zinc/09/99/45/660099945.db2.gz VDDGURFNGXNGFQ-NSHDSACASA-N 1 0 393.868 2.930 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000842483737 661341584 /nfs/dbraw/zinc/34/15/84/661341584.db2.gz OWNKCJAVHDUDAR-UONOGXRCSA-N 1 0 387.889 2.852 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000844281412 661412177 /nfs/dbraw/zinc/41/21/77/661412177.db2.gz ZMORJAUGBFZVFB-NSHDSACASA-N 1 0 381.281 2.932 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000846233083 661539612 /nfs/dbraw/zinc/53/96/12/661539612.db2.gz XSGIHUYUSYCTOC-RYUDHWBXSA-N 1 0 375.878 2.695 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849419786 661720591 /nfs/dbraw/zinc/72/05/91/661720591.db2.gz OXOONJOTDROCCT-SECBINFHSA-N 1 0 379.841 2.538 20 5 GFBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC000851895627 661844094 /nfs/dbraw/zinc/84/40/94/661844094.db2.gz DEYULWHAVWTNED-JTQLQIEISA-N 1 0 382.269 2.520 20 5 GFBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000856731480 662039414 /nfs/dbraw/zinc/03/94/14/662039414.db2.gz PYUSYGFZJUAQOG-GFCCVEGCSA-N 1 0 383.290 2.938 20 5 GFBDRO C[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000856739422 662040266 /nfs/dbraw/zinc/04/02/66/662040266.db2.gz UMVANKGGQUMGTA-HIFRSBDPSA-N 1 0 397.317 2.820 20 5 GFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000859667481 662171675 /nfs/dbraw/zinc/17/16/75/662171675.db2.gz IDXIROCICUYDKM-GASCZTMLSA-N 1 0 383.246 2.821 20 5 GFBDRO CN(CCC[NH+]1CCCC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868015590 662591523 /nfs/dbraw/zinc/59/15/23/662591523.db2.gz CAJWRNGSIQXLPG-UHFFFAOYSA-N 1 0 384.274 2.844 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000881926464 663009998 /nfs/dbraw/zinc/00/99/98/663009998.db2.gz HWBSTZROJNPROE-CYBMUJFWSA-N 1 0 387.889 2.663 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726886 663261320 /nfs/dbraw/zinc/26/13/20/663261320.db2.gz WNWQTMXMMXFZDS-GFCCVEGCSA-N 1 0 399.289 2.841 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000889729509 663261747 /nfs/dbraw/zinc/26/17/47/663261747.db2.gz NCBQHTCKXMCTPP-AWEZNQCLSA-N 1 0 397.273 2.737 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C(F)(F)F ZINC000923428288 664630340 /nfs/dbraw/zinc/63/03/40/664630340.db2.gz XGMOCXGXJGFYQM-KOLCDFICSA-N 1 0 382.180 2.926 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000933366326 664860618 /nfs/dbraw/zinc/86/06/18/664860618.db2.gz BERBEQJWXDBJAI-PWSUYJOCSA-N 1 0 399.289 2.884 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000933366325 664860638 /nfs/dbraw/zinc/86/06/38/664860638.db2.gz BERBEQJWXDBJAI-JQWIXIFHSA-N 1 0 399.289 2.884 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933779732 664877793 /nfs/dbraw/zinc/87/77/93/664877793.db2.gz QWNGAATWYRMRMS-LLVKDONJSA-N 1 0 399.289 2.743 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806865 720072917 /nfs/dbraw/zinc/07/29/17/720072917.db2.gz DMTUBMCDRVJVHZ-KBXCAEBGSA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815900 720135599 /nfs/dbraw/zinc/13/55/99/720135599.db2.gz XFALOKUGNOOKSL-YWZLYKJASA-N 1 0 385.468 2.656 20 5 GFBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164905801 721546059 /nfs/dbraw/zinc/54/60/59/721546059.db2.gz IJYHREVXUPKYJE-GDBMZVCRSA-N 1 0 397.410 2.952 20 5 GFBDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165027306 721829289 /nfs/dbraw/zinc/82/92/89/721829289.db2.gz RVNAGPXHZGOFPM-SZMVWBNQSA-N 1 0 382.468 2.825 20 5 GFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044912 721955744 /nfs/dbraw/zinc/95/57/44/721955744.db2.gz RIETUORWFKBFLM-UHFFFAOYSA-N 1 0 379.420 2.739 20 5 GFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000121147122 551228323 /nfs/dbraw/zinc/22/83/23/551228323.db2.gz DTEDSZAETQBMSE-UHFFFAOYSA-N 1 0 378.226 2.877 20 5 GFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCOCC1 ZINC000156101801 551514766 /nfs/dbraw/zinc/51/47/66/551514766.db2.gz GFRKOBULBGIVSC-UHFFFAOYSA-N 1 0 386.246 2.654 20 5 GFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000157130092 551533991 /nfs/dbraw/zinc/53/39/91/551533991.db2.gz KPDPEXVPBXGBBZ-GFCCVEGCSA-N 1 0 386.239 2.800 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3CC([NH+](C)C)C3)cc2[N+](=O)[O-])n1 ZINC000158365878 551551006 /nfs/dbraw/zinc/55/10/06/551551006.db2.gz GZMHYHGQRRFFPA-UHFFFAOYSA-N 1 0 378.479 2.897 20 5 GFBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000158614826 551554182 /nfs/dbraw/zinc/55/41/82/551554182.db2.gz RHQRTQVZTPPUMS-LBPRGKRZSA-N 1 0 387.889 2.886 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000248626523 553131967 /nfs/dbraw/zinc/13/19/67/553131967.db2.gz YZSXWJWDMCCCFF-QWHCGFSZSA-N 1 0 387.889 2.661 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000369783781 563224768 /nfs/dbraw/zinc/22/47/68/563224768.db2.gz WSDLUPYBHXCDNN-HOTGVXAUSA-N 1 0 395.257 2.752 20 5 GFBDRO C[C@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000277946417 563233620 /nfs/dbraw/zinc/23/36/20/563233620.db2.gz JGIHNSBOMOUFKN-DTWKUNHWSA-N 1 0 376.276 2.974 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371234018 563269180 /nfs/dbraw/zinc/26/91/80/563269180.db2.gz BKZSGDPPFOCYSG-XJKSGUPXSA-N 1 0 396.285 2.890 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371236701 563269305 /nfs/dbraw/zinc/26/93/05/563269305.db2.gz QONHFNABBKUDGU-IAQYHMDHSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000393050864 563527794 /nfs/dbraw/zinc/52/77/94/563527794.db2.gz PPKLWVUZLJEALG-HUUCEWRRSA-N 1 0 387.889 2.852 20 5 GFBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430910647 563550143 /nfs/dbraw/zinc/55/01/43/563550143.db2.gz WLIDZDFJVPOTDN-UHFFFAOYSA-N 1 0 388.181 2.612 20 5 GFBDRO C[C@](CO)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286494847 563562449 /nfs/dbraw/zinc/56/24/49/563562449.db2.gz MCMNCEONDFIDPJ-DLBZAZTESA-N 1 0 395.253 2.888 20 5 GFBDRO C[C@@H](c1nccs1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286755949 563573765 /nfs/dbraw/zinc/57/37/65/563573765.db2.gz HEYDMPLWOANHDT-JTQLQIEISA-N 1 0 376.467 2.939 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332695412 563612292 /nfs/dbraw/zinc/61/22/92/563612292.db2.gz XBXYZDSBBSXPJI-MNOVXSKESA-N 1 0 383.246 2.739 20 5 GFBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000440352308 563740243 /nfs/dbraw/zinc/74/02/43/563740243.db2.gz FUYWBCBQOUSRGF-QMMMGPOBSA-N 1 0 382.269 2.650 20 5 GFBDRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291591005 563748762 /nfs/dbraw/zinc/74/87/62/563748762.db2.gz WEILSYLSPBJFGG-UHFFFAOYSA-N 1 0 376.240 2.742 20 5 GFBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000291816685 563760087 /nfs/dbraw/zinc/76/00/87/563760087.db2.gz DRUNCCQQPATDSR-LBPRGKRZSA-N 1 0 387.889 2.743 20 5 GFBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000443969619 563817095 /nfs/dbraw/zinc/81/70/95/563817095.db2.gz RMZIRYLXJYUIOB-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CSc3ccccc32)cc1 ZINC000564861100 564253740 /nfs/dbraw/zinc/25/37/40/564253740.db2.gz XERCVEUFPLYRKW-CYBMUJFWSA-N 1 0 378.475 2.848 20 5 GFBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1[NH+](C)C ZINC000542509316 564316608 /nfs/dbraw/zinc/31/66/08/564316608.db2.gz VSFBOGGYCSWZIR-QWRGUYRKSA-N 1 0 375.292 2.543 20 5 GFBDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502647 564320019 /nfs/dbraw/zinc/32/00/19/564320019.db2.gz PIXPPPFIXJSLDY-QWHCGFSZSA-N 1 0 386.246 2.699 20 5 GFBDRO CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000542768381 564325869 /nfs/dbraw/zinc/32/58/69/564325869.db2.gz CQZAKDXVKQFJKX-HZPDHXFCSA-N 1 0 381.523 2.725 20 5 GFBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000567898286 564395687 /nfs/dbraw/zinc/39/56/87/564395687.db2.gz JRMACXJLWOOYGB-UHFFFAOYSA-N 1 0 381.376 2.554 20 5 GFBDRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000515715446 564486912 /nfs/dbraw/zinc/48/69/12/564486912.db2.gz PZOZZDLHFUNNPV-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000520385512 564602903 /nfs/dbraw/zinc/60/29/03/564602903.db2.gz JMUNQABCMZFVPL-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000458225780 564694246 /nfs/dbraw/zinc/69/42/46/564694246.db2.gz SBEQXEKFJDDMFF-GFCCVEGCSA-N 1 0 384.274 2.748 20 5 GFBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553149587 564711430 /nfs/dbraw/zinc/71/14/30/564711430.db2.gz GAGXMUAYXKIRCJ-CYBMUJFWSA-N 1 0 387.267 2.644 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000554936130 564778071 /nfs/dbraw/zinc/77/80/71/564778071.db2.gz NYBVYVOBQAVOBJ-RISCZKNCSA-N 1 0 390.221 2.792 20 5 GFBDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000556246814 564816084 /nfs/dbraw/zinc/81/60/84/564816084.db2.gz RRZGBXQWQGPZGZ-LBPRGKRZSA-N 1 0 380.242 2.740 20 5 GFBDRO C[C@H](CCc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000462783272 564858101 /nfs/dbraw/zinc/85/81/01/564858101.db2.gz LKWXCHMUKXFGPN-CYBMUJFWSA-N 1 0 383.495 2.546 20 5 GFBDRO NC(=O)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000467990546 564976659 /nfs/dbraw/zinc/97/66/59/564976659.db2.gz NBMUQZXDRXEGBY-HNNXBMFYSA-N 1 0 378.226 2.716 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000562907175 565047094 /nfs/dbraw/zinc/04/70/94/565047094.db2.gz BTKDGXRKJQWTAP-CHWSQXEVSA-N 1 0 376.194 2.545 20 5 GFBDRO CS[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000537925164 565064597 /nfs/dbraw/zinc/06/45/97/565064597.db2.gz MKCHNQRMBZPVMO-ZFWWWQNUSA-N 1 0 387.889 2.521 20 5 GFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592365993 565272587 /nfs/dbraw/zinc/27/25/87/565272587.db2.gz OVMMHWXHXVSXSM-KOLCDFICSA-N 1 0 381.376 2.504 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000595992438 565504499 /nfs/dbraw/zinc/50/44/99/565504499.db2.gz QUHGURVURBGLLS-MRXNPFEDSA-N 1 0 378.479 2.993 20 5 GFBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000598987325 565652874 /nfs/dbraw/zinc/65/28/74/565652874.db2.gz KZNBCHRGYUUCSP-IINYFYTJSA-N 1 0 388.205 2.857 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599392107 565675880 /nfs/dbraw/zinc/67/58/80/565675880.db2.gz RCFCMVYYHMCVIK-ZDUSSCGKSA-N 1 0 387.889 2.934 20 5 GFBDRO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000599979720 565708730 /nfs/dbraw/zinc/70/87/30/565708730.db2.gz WKOSFEIKTUKYTF-LLVKDONJSA-N 1 0 382.258 2.914 20 5 GFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000601978555 565811268 /nfs/dbraw/zinc/81/12/68/565811268.db2.gz YTGSLXMMOGCGOH-GFCCVEGCSA-N 1 0 384.274 2.794 20 5 GFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@H]2C1 ZINC000602675404 565862619 /nfs/dbraw/zinc/86/26/19/565862619.db2.gz KNOIGONSCYMZDP-QWHCGFSZSA-N 1 0 390.303 2.714 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267829 598869715 /nfs/dbraw/zinc/86/97/15/598869715.db2.gz PKKRBUGVYPVJEI-CABCVRRESA-N 1 0 385.472 2.866 20 5 GFBDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000736200028 599307588 /nfs/dbraw/zinc/30/75/88/599307588.db2.gz QWVQXDXMRQSMEO-AWEZNQCLSA-N 1 0 379.424 2.658 20 5 GFBDRO O=[N+]([O-])c1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1-c1nn[nH]n1 ZINC000823635060 606645264 /nfs/dbraw/zinc/64/52/64/606645264.db2.gz QPXVDJJFICJKAD-UHFFFAOYSA-N 1 0 397.414 2.626 20 5 GFBDRO C[C@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000820449866 607044200 /nfs/dbraw/zinc/04/42/00/607044200.db2.gz DEJGQALSSGCBTI-NSHDSACASA-N 1 0 384.444 2.711 20 5 GFBDRO CC[NH+](CC)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821181094 607162426 /nfs/dbraw/zinc/16/24/26/607162426.db2.gz KBXGQHUIDDFXDB-HNNXBMFYSA-N 1 0 382.428 2.665 20 5 GFBDRO CC[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000825139280 608551662 /nfs/dbraw/zinc/55/16/62/608551662.db2.gz DDZHXBGVEPHSIB-INIZCTEOSA-N 1 0 398.423 2.903 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826283205 608554017 /nfs/dbraw/zinc/55/40/17/608554017.db2.gz MTOADDNANGLPMS-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000817863898 660210997 /nfs/dbraw/zinc/21/09/97/660210997.db2.gz XFAZYEZNLPZWJK-SRVKXCTJSA-N 1 0 375.878 2.551 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000825973167 660446913 /nfs/dbraw/zinc/44/69/13/660446913.db2.gz QAQGERRHEFFSOE-LBPRGKRZSA-N 1 0 397.273 2.843 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000268475632 654973570 /nfs/dbraw/zinc/97/35/70/654973570.db2.gz JGLICEMHKXBONP-NSHDSACASA-N 1 0 385.262 2.665 20 5 GFBDRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102425746 655055391 /nfs/dbraw/zinc/05/53/91/655055391.db2.gz LNAPWVHGSMFVOM-UHFFFAOYSA-N 1 0 383.495 2.742 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113945146 655216145 /nfs/dbraw/zinc/21/61/45/655216145.db2.gz LQABRIXGWWFRLF-KBPBESRZSA-N 1 0 387.527 2.931 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176736234 655254098 /nfs/dbraw/zinc/25/40/98/655254098.db2.gz HTVUFCVXCIHLBD-VXGBXAGGSA-N 1 0 375.878 2.708 20 5 GFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000119406214 655302861 /nfs/dbraw/zinc/30/28/61/655302861.db2.gz UYYNIPHJEQKVAA-HIFRSBDPSA-N 1 0 396.285 2.985 20 5 GFBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119795174 655315625 /nfs/dbraw/zinc/31/56/25/655315625.db2.gz KMKKZRABMRZBIK-UHFFFAOYSA-N 1 0 375.516 2.789 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000119911198 655320942 /nfs/dbraw/zinc/32/09/42/655320942.db2.gz DOCUZKDQSBJLEM-CYBMUJFWSA-N 1 0 383.495 2.845 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1Br ZINC000574869394 655432547 /nfs/dbraw/zinc/43/25/47/655432547.db2.gz VNFBPYFHOUYBNB-CYBMUJFWSA-N 1 0 381.226 2.887 20 5 GFBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000579121975 655494398 /nfs/dbraw/zinc/49/43/98/655494398.db2.gz RCKWBNCAMHWKQM-CYBMUJFWSA-N 1 0 383.392 2.655 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000758346223 655929806 /nfs/dbraw/zinc/92/98/06/655929806.db2.gz YFCZPCKYLLZFHG-TZMCWYRMSA-N 1 0 376.356 2.859 20 5 GFBDRO CC1=CC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000762702989 656056379 /nfs/dbraw/zinc/05/63/79/656056379.db2.gz BKAMUCJUPKYTNO-UHFFFAOYSA-N 1 0 386.221 2.878 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000841161938 661240377 /nfs/dbraw/zinc/24/03/77/661240377.db2.gz QYDDMFRAILMCCD-GMTAPVOTSA-N 1 0 383.246 2.867 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000769905891 656299599 /nfs/dbraw/zinc/29/95/99/656299599.db2.gz JROVXIFKIKTVAP-RYUDHWBXSA-N 1 0 375.878 2.708 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000779872567 656951893 /nfs/dbraw/zinc/95/18/93/656951893.db2.gz SJUGKZCISOGNSR-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795337631 658807907 /nfs/dbraw/zinc/80/79/07/658807907.db2.gz XCNVTIQOJSGGHN-HOTGVXAUSA-N 1 0 399.216 2.853 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000796117312 658893869 /nfs/dbraw/zinc/89/38/69/658893869.db2.gz XBJYWNBSJXKBFX-OLZOCXBDSA-N 1 0 387.889 2.804 20 5 GFBDRO Cn1nc(Br)cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808451054 659894760 /nfs/dbraw/zinc/89/47/60/659894760.db2.gz GDDPOUNHEKICBH-UHFFFAOYSA-N 1 0 378.230 2.904 20 5 GFBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810136752 659963912 /nfs/dbraw/zinc/96/39/12/659963912.db2.gz ITQQSLPTHYQYCF-JTQLQIEISA-N 1 0 398.204 2.710 20 5 GFBDRO CSC1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000810879675 659989526 /nfs/dbraw/zinc/98/95/26/659989526.db2.gz DBAZKBOEDICWFJ-UHFFFAOYSA-N 1 0 389.880 2.873 20 5 GFBDRO [NH3+]CCN(Cc1cn2ccc(Br)cc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000811506969 660010841 /nfs/dbraw/zinc/01/08/41/660010841.db2.gz MUVZWNBYMIUVDE-UHFFFAOYSA-N 1 0 390.241 2.970 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020759 660102497 /nfs/dbraw/zinc/10/24/97/660102497.db2.gz GWEFOFMLKDSIPV-NSHDSACASA-N 1 0 393.868 2.882 20 5 GFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000842012162 661319816 /nfs/dbraw/zinc/31/98/16/661319816.db2.gz YNERZAGSTNICJG-GHMZBOCLSA-N 1 0 397.273 2.552 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842481683 661341426 /nfs/dbraw/zinc/34/14/26/661341426.db2.gz LNOBFKIGIQPQTN-GXTWGEPZSA-N 1 0 387.889 2.709 20 5 GFBDRO C[NH2+]C[C@@H](C)c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000842579993 661344161 /nfs/dbraw/zinc/34/41/61/661344161.db2.gz RLGPLFWKULUZNB-SSDOTTSWSA-N 1 0 388.165 2.572 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000842891990 661359077 /nfs/dbraw/zinc/35/90/77/661359077.db2.gz BBUMVNRLGIFJOM-OLZOCXBDSA-N 1 0 387.889 2.567 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843097397 661367710 /nfs/dbraw/zinc/36/77/10/661367710.db2.gz YVUJCZGFPLTWLO-JKSUJKDBSA-N 1 0 381.226 2.714 20 5 GFBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000843152640 661371207 /nfs/dbraw/zinc/37/12/07/661371207.db2.gz LQTUMMNXFRFSET-SNVBAGLBSA-N 1 0 388.165 2.905 20 5 GFBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])sc2C1 ZINC000843478140 661382950 /nfs/dbraw/zinc/38/29/50/661382950.db2.gz VCTCDSZBSJDTNN-QMMMGPOBSA-N 1 0 384.820 2.841 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000844281411 661412307 /nfs/dbraw/zinc/41/23/07/661412307.db2.gz ZMORJAUGBFZVFB-LLVKDONJSA-N 1 0 381.281 2.932 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000846231457 661539231 /nfs/dbraw/zinc/53/92/31/661539231.db2.gz LTUAMSICMNTXGB-GXFFZTMASA-N 1 0 375.878 2.695 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000849418206 661720023 /nfs/dbraw/zinc/72/00/23/661720023.db2.gz CSYNIDJIAIMUPS-NSHDSACASA-N 1 0 375.878 2.708 20 5 GFBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000899154576 663678098 /nfs/dbraw/zinc/67/80/98/663678098.db2.gz VWYPKYOVLQFQFM-QMMMGPOBSA-N 1 0 394.230 2.616 20 5 GFBDRO C[C@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)CN1CCO ZINC000910931095 664231351 /nfs/dbraw/zinc/23/13/51/664231351.db2.gz NHQSTHNQDOIOQM-IUCAKERBSA-N 1 0 394.230 2.568 20 5 GFBDRO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)CN1CCO ZINC000910931093 664231437 /nfs/dbraw/zinc/23/14/37/664231437.db2.gz NHQSTHNQDOIOQM-BDAKNGLRSA-N 1 0 394.230 2.568 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917660872 664488214 /nfs/dbraw/zinc/48/82/14/664488214.db2.gz IYUMSNLFWFAGRI-LLVKDONJSA-N 1 0 375.878 2.709 20 5 GFBDRO COC(=O)CC1([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCOCC1 ZINC000930033614 664761454 /nfs/dbraw/zinc/76/14/54/664761454.db2.gz SLJRIEPLSUHSIL-UHFFFAOYSA-N 1 0 387.230 2.559 20 5 GFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620462 719058966 /nfs/dbraw/zinc/05/89/66/719058966.db2.gz FFAYVAMSXYDUEN-LPHOPBHVSA-N 1 0 396.447 2.877 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2nc3ccccc3cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684760 719629508 /nfs/dbraw/zinc/62/95/08/719629508.db2.gz XJCPKRMLALCGRP-UHFFFAOYSA-N 1 0 380.452 2.815 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812259 720072555 /nfs/dbraw/zinc/07/25/55/720072555.db2.gz QBGDZHQYHUKYDK-KBXCAEBGSA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811094 720107018 /nfs/dbraw/zinc/10/70/18/720107018.db2.gz LJIFZLVQFDMZSF-IERDGZPVSA-N 1 0 397.479 2.723 20 5 GFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164722153 720343633 /nfs/dbraw/zinc/34/36/33/720343633.db2.gz FGXNCFKWYLONHQ-OALUTQOASA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164722158 720344132 /nfs/dbraw/zinc/34/41/32/720344132.db2.gz FGXNCFKWYLONHQ-RTBURBONSA-N 1 0 376.420 2.786 20 5 GFBDRO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728769 720431470 /nfs/dbraw/zinc/43/14/70/720431470.db2.gz GIMLQFSXXCBNJF-OELZETHLSA-N 1 0 394.479 2.770 20 5 GFBDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840790 720510573 /nfs/dbraw/zinc/51/05/73/720510573.db2.gz XNJCHMIHDIKMMG-FGTMMUONSA-N 1 0 384.484 2.873 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1 ZINC001164911449 721527210 /nfs/dbraw/zinc/52/72/10/721527210.db2.gz WSFUSIVHBOKUHH-ZBFHGGJFSA-N 1 0 376.363 2.610 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001165025520 721815705 /nfs/dbraw/zinc/81/57/05/721815705.db2.gz NDFSJVCPKLZUTH-YXJHDRRASA-N 1 0 382.468 2.704 20 5 GFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027161 721817720 /nfs/dbraw/zinc/81/77/20/721817720.db2.gz SRHWPNINPPOSOA-QRFRQXIXSA-N 1 0 397.479 2.669 20 5 GFBDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165027297 721829227 /nfs/dbraw/zinc/82/92/27/721829227.db2.gz RVNAGPXHZGOFPM-JQHSSLGASA-N 1 0 382.468 2.825 20 5 GFBDRO COC(=O)CC1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 ZINC000152535371 551434624 /nfs/dbraw/zinc/43/46/24/551434624.db2.gz UMDDLJPOQHROJB-UHFFFAOYSA-N 1 0 387.230 2.559 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000174830969 552111591 /nfs/dbraw/zinc/11/15/91/552111591.db2.gz PBKKHFKZVBYXKC-UHFFFAOYSA-N 1 0 395.257 2.849 20 5 GFBDRO C[N@H+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000179563867 552196485 /nfs/dbraw/zinc/19/64/85/552196485.db2.gz AHRKDIOBMULYPB-UHFFFAOYSA-N 1 0 383.495 2.994 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@]3(CO)CCOC3)o2)c(Br)c1 ZINC000184187384 552329360 /nfs/dbraw/zinc/32/93/60/552329360.db2.gz WUJDWAAAYWLPJD-INIZCTEOSA-N 1 0 397.225 2.858 20 5 GFBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000237505346 553078956 /nfs/dbraw/zinc/07/89/56/553078956.db2.gz OLFSIMSSFITIQL-QPUJVOFHSA-N 1 0 382.269 2.650 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000246185112 553103711 /nfs/dbraw/zinc/10/37/11/553103711.db2.gz COBJBFIJPIUEHK-GXTWGEPZSA-N 1 0 382.258 2.914 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246508466 553109582 /nfs/dbraw/zinc/10/95/82/553109582.db2.gz YBNYBUMOSVYPBE-FZMZJTMJSA-N 1 0 375.878 2.599 20 5 GFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000261600249 553153887 /nfs/dbraw/zinc/15/38/87/553153887.db2.gz BEEGASBGHZDODW-JPZVUWATSA-N 1 0 396.285 2.922 20 5 GFBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420451031 563263674 /nfs/dbraw/zinc/26/36/74/563263674.db2.gz BHHCWHPRRFMNFA-OAHLLOKOSA-N 1 0 383.857 2.789 20 5 GFBDRO C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420481554 563265923 /nfs/dbraw/zinc/26/59/23/563265923.db2.gz RJCIMLNLYYCUSG-DTWKUNHWSA-N 1 0 382.269 2.507 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371234016 563269078 /nfs/dbraw/zinc/26/90/78/563269078.db2.gz BKZSGDPPFOCYSG-CJNGLKHVSA-N 1 0 396.285 2.890 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]1c1cccc(Br)c1 ZINC000371754552 563286804 /nfs/dbraw/zinc/28/68/04/563286804.db2.gz UKAXBFASFPYYCK-OAHLLOKOSA-N 1 0 378.226 2.966 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423972747 563366593 /nfs/dbraw/zinc/36/65/93/563366593.db2.gz LVXFZAOVOPOSGB-XHDPSFHLSA-N 1 0 382.258 2.962 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431896014 563570908 /nfs/dbraw/zinc/57/09/08/563570908.db2.gz JZGGPDOVZQHVST-QWHCGFSZSA-N 1 0 375.516 2.835 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000332308916 563591526 /nfs/dbraw/zinc/59/15/26/563591526.db2.gz IHLJGGAMSGZZPX-GFCCVEGCSA-N 1 0 399.289 2.712 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000289578769 563679603 /nfs/dbraw/zinc/67/96/03/563679603.db2.gz SJIICNJYYGNWGW-MJHDQNEOSA-N 1 0 390.221 2.840 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362633193 563707944 /nfs/dbraw/zinc/70/79/44/563707944.db2.gz DXDWBQMCGMXJBL-UHFFFAOYSA-N 1 0 391.225 2.579 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000290788689 563721350 /nfs/dbraw/zinc/72/13/50/563721350.db2.gz QDQVNRYJHABZTA-VIFPVBQESA-N 1 0 388.808 2.679 20 5 GFBDRO Cn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000365531332 563786188 /nfs/dbraw/zinc/78/61/88/563786188.db2.gz DHKDBAVLHYEJEB-LLVKDONJSA-N 1 0 384.845 2.550 20 5 GFBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710498 563792891 /nfs/dbraw/zinc/79/28/91/563792891.db2.gz ZGGJPZVZSNVCOD-UFBFGSQYSA-N 1 0 387.234 2.592 20 5 GFBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416667602 563859985 /nfs/dbraw/zinc/85/99/85/563859985.db2.gz YMLJXTMZMQTUCF-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO C[C@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000564416871 564233218 /nfs/dbraw/zinc/23/32/18/564233218.db2.gz IXEMAVBKDPAYOC-CYBMUJFWSA-N 1 0 376.194 2.716 20 5 GFBDRO Cc1c(Br)c(N2CCC[C@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000564469874 564234690 /nfs/dbraw/zinc/23/46/90/564234690.db2.gz IUXUTRROMBRROV-ZDUSSCGKSA-N 1 0 399.289 2.752 20 5 GFBDRO Cc1sc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000473907310 564256429 /nfs/dbraw/zinc/25/64/29/564256429.db2.gz BCUZWDJRIPOQHV-AWEZNQCLSA-N 1 0 375.516 2.754 20 5 GFBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566494972 564329259 /nfs/dbraw/zinc/32/92/59/564329259.db2.gz VJTMFZPSIFUCEM-GFCCVEGCSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000510472408 564334831 /nfs/dbraw/zinc/33/48/31/564334831.db2.gz FXBRKLRHRHALMW-CYBMUJFWSA-N 1 0 382.258 2.974 20 5 GFBDRO Cc1sc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000510661754 564342255 /nfs/dbraw/zinc/34/22/55/564342255.db2.gz JRIOTZUUOKUIMT-UHFFFAOYSA-N 1 0 387.483 2.700 20 5 GFBDRO CC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000451842980 564358538 /nfs/dbraw/zinc/35/85/38/564358538.db2.gz NFUPOPACZZLSJD-LBPRGKRZSA-N 1 0 399.289 2.712 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000515255496 564472990 /nfs/dbraw/zinc/47/29/90/564472990.db2.gz GYRWVTIQZDJHEI-ZDUSSCGKSA-N 1 0 376.194 2.810 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000515733935 564486692 /nfs/dbraw/zinc/48/66/92/564486692.db2.gz AUDKWLBKNCEWCB-LLVKDONJSA-N 1 0 375.878 2.567 20 5 GFBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000515843925 564488391 /nfs/dbraw/zinc/48/83/91/564488391.db2.gz DQLHTSLVCJHHIW-UHFFFAOYSA-N 1 0 375.878 2.778 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000571927355 564572628 /nfs/dbraw/zinc/57/26/28/564572628.db2.gz ABUYMSKBXCRYOR-BXUZGUMPSA-N 1 0 390.221 2.840 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575749962 564702895 /nfs/dbraw/zinc/70/28/95/564702895.db2.gz HJLVCFWQXRBDAJ-UONOGXRCSA-N 1 0 396.285 2.748 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)s2)c1 ZINC000553199936 564712026 /nfs/dbraw/zinc/71/20/26/564712026.db2.gz ZKDLSIGOSVGOOK-NSHDSACASA-N 1 0 387.255 2.948 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462139872 564822774 /nfs/dbraw/zinc/82/27/74/564822774.db2.gz OULZYNCIRCRTAM-JTQLQIEISA-N 1 0 396.296 2.864 20 5 GFBDRO CO[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000559335291 564930707 /nfs/dbraw/zinc/93/07/07/564930707.db2.gz SBGHUJSARKBRFM-CYBMUJFWSA-N 1 0 376.194 2.714 20 5 GFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000562996371 565051370 /nfs/dbraw/zinc/05/13/70/565051370.db2.gz PJJZEWWIHWZDOB-HNNXBMFYSA-N 1 0 395.253 2.929 20 5 GFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000595056524 565445684 /nfs/dbraw/zinc/44/56/84/565445684.db2.gz KUWMCWNWRUXTIH-LLVKDONJSA-N 1 0 393.241 2.833 20 5 GFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000597716731 565571979 /nfs/dbraw/zinc/57/19/79/565571979.db2.gz SVNYRFOYYGNJSJ-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO Cc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000600474520 565732041 /nfs/dbraw/zinc/73/20/41/565732041.db2.gz XSQOWCZZTVDIDB-LBPRGKRZSA-N 1 0 386.239 2.966 20 5 GFBDRO Cc1cc(S(=O)(=O)N(C)CCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])s1 ZINC000601415273 565782567 /nfs/dbraw/zinc/78/25/67/565782567.db2.gz RFZTZAUIMZDLPY-UHFFFAOYSA-N 1 0 387.483 2.700 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000601968818 565810826 /nfs/dbraw/zinc/81/08/26/565810826.db2.gz NPJFOHSMRRXNLN-NSHDSACASA-N 1 0 378.738 2.614 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000738360304 598249547 /nfs/dbraw/zinc/24/95/47/598249547.db2.gz OICARIZMBWIHRZ-UHFFFAOYSA-N 1 0 394.435 2.861 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000738358696 598675074 /nfs/dbraw/zinc/67/50/74/598675074.db2.gz ODJJYFPNWMQRQV-INIZCTEOSA-N 1 0 393.451 2.751 20 5 GFBDRO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@@H]1C ZINC000820705982 599473654 /nfs/dbraw/zinc/47/36/54/599473654.db2.gz XFXDFRCGGDYSDH-QWHCGFSZSA-N 1 0 396.455 2.998 20 5 GFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000824779098 607679438 /nfs/dbraw/zinc/67/94/38/607679438.db2.gz SJZKLNNOTMXSOU-CYBMUJFWSA-N 1 0 394.439 2.807 20 5 GFBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618898 606045235 /nfs/dbraw/zinc/04/52/35/606045235.db2.gz ADYPIVHLSOPGFG-KRWDZBQOSA-N 1 0 393.451 2.876 20 5 GFBDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nn[nH]n1 ZINC000826201916 608286493 /nfs/dbraw/zinc/28/64/93/608286493.db2.gz IEKIEDMFYMSJNV-KRWDZBQOSA-N 1 0 394.435 2.894 20 5 GFBDRO CC[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825144361 608551997 /nfs/dbraw/zinc/55/19/97/608551997.db2.gz ZCCJEXIEPMGFAH-ZDUSSCGKSA-N 1 0 387.425 2.516 20 5 GFBDRO COCC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157643 608566987 /nfs/dbraw/zinc/56/69/87/608566987.db2.gz FKIXTCQCPDHVPF-XQRVVYSFSA-N 1 0 394.435 2.937 20 5 GFBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000829454952 660593097 /nfs/dbraw/zinc/59/30/97/660593097.db2.gz DGQLVRQXJYAMQI-UHFFFAOYSA-N 1 0 397.273 2.640 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000832763717 660799000 /nfs/dbraw/zinc/79/90/00/660799000.db2.gz CIGMPKDPDXTNIA-LBPRGKRZSA-N 1 0 375.878 2.660 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000131050553 654896132 /nfs/dbraw/zinc/89/61/32/654896132.db2.gz DJYWBRIGIIIDPI-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707946 655124221 /nfs/dbraw/zinc/12/42/21/655124221.db2.gz IKWIABFZYUTVHY-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176127967 655235952 /nfs/dbraw/zinc/23/59/52/655235952.db2.gz QYDNTJZKMWRQHL-OAHLLOKOSA-N 1 0 396.285 2.987 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000289292984 655345829 /nfs/dbraw/zinc/34/58/29/655345829.db2.gz HBOSIPYMIJQARB-VIFPVBQESA-N 1 0 394.280 2.664 20 5 GFBDRO C[NH+](C)C[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000576889482 655454068 /nfs/dbraw/zinc/45/40/68/655454068.db2.gz NLYTWFMLHMEAQM-SNVBAGLBSA-N 1 0 375.210 2.587 20 5 GFBDRO Cc1csc(CCCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000577055131 655456700 /nfs/dbraw/zinc/45/67/00/655456700.db2.gz JJGBSBQLUKORRZ-UHFFFAOYSA-N 1 0 383.495 2.746 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000579778620 655503995 /nfs/dbraw/zinc/50/39/95/655503995.db2.gz SOUAGIQJZMLTCZ-BFHYXJOUSA-N 1 0 388.205 2.857 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000725822972 655526914 /nfs/dbraw/zinc/52/69/14/655526914.db2.gz PEBJIOMRKSZKIW-RYUDHWBXSA-N 1 0 375.878 2.647 20 5 GFBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000750855114 655818098 /nfs/dbraw/zinc/81/80/98/655818098.db2.gz XDGUQOLELJSOFU-VIFPVBQESA-N 1 0 388.649 2.977 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000762280840 656037905 /nfs/dbraw/zinc/03/79/05/656037905.db2.gz VUSXYPZCVZLBRW-NSHDSACASA-N 1 0 375.878 2.567 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000769468845 656277273 /nfs/dbraw/zinc/27/72/73/656277273.db2.gz PHIRRGRZNCWNSP-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccsc1 ZINC000778236355 656871014 /nfs/dbraw/zinc/87/10/14/656871014.db2.gz ZNBAJKFUUZVQRM-ZDUSSCGKSA-N 1 0 377.451 2.694 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864431 658863257 /nfs/dbraw/zinc/86/32/57/658863257.db2.gz CWZPPHBMYIASPH-NSHDSACASA-N 1 0 393.868 2.882 20 5 GFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000798160508 659077049 /nfs/dbraw/zinc/07/70/49/659077049.db2.gz KWHPOCMQEWPYOJ-MNOVXSKESA-N 1 0 385.262 2.603 20 5 GFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798163998 659077423 /nfs/dbraw/zinc/07/74/23/659077423.db2.gz CFNDAIKRAXSHHJ-UTUOFQBUSA-N 1 0 399.289 2.849 20 5 GFBDRO CN(CCC[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000798405257 659099344 /nfs/dbraw/zinc/09/93/44/659099344.db2.gz ZIDATBDRMSDKQO-UHFFFAOYSA-N 1 0 377.413 2.513 20 5 GFBDRO Cc1ccc(N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1Br ZINC000804531361 659654627 /nfs/dbraw/zinc/65/46/27/659654627.db2.gz XWVTUZUXULRQDH-UHFFFAOYSA-N 1 0 384.274 2.967 20 5 GFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000805111574 659741897 /nfs/dbraw/zinc/74/18/97/659741897.db2.gz YWTXFNRGVWHWAS-MFKMUULPSA-N 1 0 391.852 2.635 20 5 GFBDRO C[NH+](C)CCn1nnnc1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809955961 659953209 /nfs/dbraw/zinc/95/32/09/659953209.db2.gz YGUQRHUDXRUIMB-UHFFFAOYSA-N 1 0 377.257 2.742 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815018716 660102089 /nfs/dbraw/zinc/10/20/89/660102089.db2.gz YZMMGZGHDNXFRE-GXFFZTMASA-N 1 0 393.868 2.738 20 5 GFBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815046736 660106917 /nfs/dbraw/zinc/10/69/17/660106917.db2.gz CYDRJAZOONUFJK-JTQLQIEISA-N 1 0 381.857 2.786 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842894549 661359206 /nfs/dbraw/zinc/35/92/06/661359206.db2.gz SVTCAMGLAZKFRX-CHWSQXEVSA-N 1 0 387.889 2.567 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843113539 661369127 /nfs/dbraw/zinc/36/91/27/661369127.db2.gz WLORDCPAVCQQNE-HZPDHXFCSA-N 1 0 381.226 2.714 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000843113538 661369188 /nfs/dbraw/zinc/36/91/88/661369188.db2.gz WLORDCPAVCQQNE-HOTGVXAUSA-N 1 0 381.226 2.714 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)ccc1Br ZINC000844338539 661415722 /nfs/dbraw/zinc/41/57/22/661415722.db2.gz QSIRICZKJMYSFO-UHFFFAOYSA-N 1 0 398.301 2.684 20 5 GFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000846306074 661544141 /nfs/dbraw/zinc/54/41/41/661544141.db2.gz FJSUVGQVKGGAPK-BONVTDFDSA-N 1 0 383.246 2.950 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000865576266 662430201 /nfs/dbraw/zinc/43/02/01/662430201.db2.gz HOPIMKJNVZIFPK-CQSZACIVSA-N 1 0 396.285 2.987 20 5 GFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866512828 662478183 /nfs/dbraw/zinc/47/81/83/662478183.db2.gz DQFVUDXPKLQNOF-CQSZACIVSA-N 1 0 398.301 2.994 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@H]21 ZINC000867809186 662578206 /nfs/dbraw/zinc/57/82/06/662578206.db2.gz QCKJJZPWUAEWGZ-JOYOIKCWSA-N 1 0 394.280 2.616 20 5 GFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868572520 662610272 /nfs/dbraw/zinc/61/02/72/662610272.db2.gz SHFXAAQZRJKDOC-QGZVFWFLSA-N 1 0 396.285 2.844 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CCO)c3ccccc3Br)C2)c1 ZINC000877190888 662872168 /nfs/dbraw/zinc/87/21/68/662872168.db2.gz CVFXWTAZQPEDOO-PPUFBPAQSA-N 1 0 395.257 2.971 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877265234 662872831 /nfs/dbraw/zinc/87/28/31/662872831.db2.gz ABLJKEUNYQTTCG-CABZTGNLSA-N 1 0 386.221 2.711 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)c3ccc(Br)c(F)c3)C2)c1 ZINC000877545969 662878660 /nfs/dbraw/zinc/87/86/60/662878660.db2.gz NHGSXMVSXTUZEU-NWHVRFAMSA-N 1 0 399.220 2.720 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000879271630 662922235 /nfs/dbraw/zinc/92/22/35/662922235.db2.gz HIKRGEUALJPHNK-IRXDYDNUSA-N 1 0 395.253 2.888 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000882347024 663025110 /nfs/dbraw/zinc/02/51/10/663025110.db2.gz YTJHYWULWKOQPV-UHFFFAOYSA-N 1 0 387.889 2.663 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000882635649 663034393 /nfs/dbraw/zinc/03/43/93/663034393.db2.gz JACNNQHBLQLPCN-LBPRGKRZSA-N 1 0 388.237 2.532 20 5 GFBDRO Cc1c(Br)c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000882725867 663038522 /nfs/dbraw/zinc/03/85/22/663038522.db2.gz CYAVCIIRIZGYHB-CYBMUJFWSA-N 1 0 399.289 2.798 20 5 GFBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000882768104 663041020 /nfs/dbraw/zinc/04/10/20/663041020.db2.gz PZGWZLIAELLEOI-UHFFFAOYSA-N 1 0 391.852 2.636 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883134192 663050168 /nfs/dbraw/zinc/05/01/68/663050168.db2.gz REYHXHGHQQFXCN-UONOGXRCSA-N 1 0 397.273 2.783 20 5 GFBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991682 663536243 /nfs/dbraw/zinc/53/62/43/663536243.db2.gz YRLOKBBKJHYVRE-DTWKUNHWSA-N 1 0 392.214 2.634 20 5 GFBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897634655 663614175 /nfs/dbraw/zinc/61/41/75/663614175.db2.gz LXYLGQLYZVXGLH-VIFPVBQESA-N 1 0 396.246 2.863 20 5 GFBDRO COc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1[N+](=O)[O-] ZINC000898726118 663661619 /nfs/dbraw/zinc/66/16/19/663661619.db2.gz YKWGKGRSHYTYJS-NSHDSACASA-N 1 0 381.230 2.667 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905426774 663871123 /nfs/dbraw/zinc/87/11/23/663871123.db2.gz JWCSYZZPJMBJJR-WBVHZDCISA-N 1 0 395.253 2.932 20 5 GFBDRO C[NH+]1CCC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000923787995 664637991 /nfs/dbraw/zinc/63/79/91/664637991.db2.gz ANUROKNIBRRMKX-UHFFFAOYSA-N 1 0 387.230 2.511 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932205757 664813413 /nfs/dbraw/zinc/81/34/13/664813413.db2.gz HQTFVACJYQLSCJ-AWEZNQCLSA-N 1 0 394.225 2.632 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)CC1 ZINC001164614084 719023222 /nfs/dbraw/zinc/02/32/22/719023222.db2.gz MZHAOHLCLGRGSO-UHFFFAOYSA-N 1 0 396.875 2.887 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685808 719612148 /nfs/dbraw/zinc/61/21/48/719612148.db2.gz WIEVOSYIJINOQZ-UHFFFAOYSA-N 1 0 399.282 2.968 20 5 GFBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2N)CC3)cs1 ZINC001164691568 719813285 /nfs/dbraw/zinc/81/32/85/719813285.db2.gz HMETWLXGFFUPGE-UHFFFAOYSA-N 1 0 388.497 2.972 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871462 721075787 /nfs/dbraw/zinc/07/57/87/721075787.db2.gz YYSXCMJTKVCCFO-CVEARBPZSA-N 1 0 389.843 2.518 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164766371 721109108 /nfs/dbraw/zinc/10/91/08/721109108.db2.gz KTTRFEMQVMUHEG-ZWKOTPCHSA-N 1 0 392.463 2.835 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768961 721120957 /nfs/dbraw/zinc/12/09/57/721120957.db2.gz OMJVTLHBDXJWJC-QZTJIDSGSA-N 1 0 392.463 2.835 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164769090 721121688 /nfs/dbraw/zinc/12/16/88/721121688.db2.gz PMNGVOHTODHWKW-IAGOWNOFSA-N 1 0 392.463 2.835 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333512 551186235 /nfs/dbraw/zinc/18/62/35/551186235.db2.gz MEABBCTXSNDARG-CHWSQXEVSA-N 1 0 375.516 2.693 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000123663307 551308241 /nfs/dbraw/zinc/30/82/41/551308241.db2.gz YJERMXOWQFFURN-GXFFZTMASA-N 1 0 382.258 2.974 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155067846 551490762 /nfs/dbraw/zinc/49/07/62/551490762.db2.gz QEEIQUDTSWYROK-GFCCVEGCSA-N 1 0 384.274 2.700 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000155214144 551494691 /nfs/dbraw/zinc/49/46/91/551494691.db2.gz KAHFEGHPXQGJEP-STQMWFEESA-N 1 0 384.274 2.889 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155914702 551511214 /nfs/dbraw/zinc/51/12/14/551511214.db2.gz PUUPAJKRMHBPCW-CJNGLKHVSA-N 1 0 396.285 2.843 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173633570 552089883 /nfs/dbraw/zinc/08/98/83/552089883.db2.gz YQMZMPUTRSGWNC-ZDUSSCGKSA-N 1 0 387.889 2.745 20 5 GFBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000236608846 553069897 /nfs/dbraw/zinc/06/98/97/553069897.db2.gz CDZHLRCTGFYMQA-UHFFFAOYSA-N 1 0 384.255 2.938 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000261857032 553161203 /nfs/dbraw/zinc/16/12/03/553161203.db2.gz QZQWZTXUXTZFOG-UHFFFAOYSA-N 1 0 382.258 2.502 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000295179961 563233335 /nfs/dbraw/zinc/23/33/35/563233335.db2.gz IKPLSNHRFZASFN-VIFPVBQESA-N 1 0 394.280 2.664 20 5 GFBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+](C2CC2)C1 ZINC000295286760 563240634 /nfs/dbraw/zinc/24/06/34/563240634.db2.gz IEFQJJQSGYHKMJ-LLVKDONJSA-N 1 0 382.258 2.914 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000373824641 563352901 /nfs/dbraw/zinc/35/29/01/563352901.db2.gz GLJNHPZOSXPUNB-UHFFFAOYSA-N 1 0 397.273 2.843 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301230251 563397238 /nfs/dbraw/zinc/39/72/38/563397238.db2.gz FAQFHMVQCODPGE-NSHDSACASA-N 1 0 375.210 2.730 20 5 GFBDRO C[N@H+](CCCO)C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425405424 563421015 /nfs/dbraw/zinc/42/10/15/563421015.db2.gz NMLYXTRHSDXNNA-UHFFFAOYSA-N 1 0 386.290 2.636 20 5 GFBDRO O=C(C[NH+]1CCCC1)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302307506 563424193 /nfs/dbraw/zinc/42/41/93/563424193.db2.gz RTFRZEPQBOSGQQ-UHFFFAOYSA-N 1 0 387.267 2.646 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000285831891 563538802 /nfs/dbraw/zinc/53/88/02/563538802.db2.gz BXPHWEOOCNYYPK-NSHDSACASA-N 1 0 393.868 2.740 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCSC1 ZINC000431492378 563561298 /nfs/dbraw/zinc/56/12/98/563561298.db2.gz CSVSLCUSEQTJBL-AWEZNQCLSA-N 1 0 388.287 2.524 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364079410 563742486 /nfs/dbraw/zinc/74/24/86/563742486.db2.gz UISWGVCBSDULIX-STQMWFEESA-N 1 0 382.258 2.643 20 5 GFBDRO CS(=O)(=O)CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000414562049 563746931 /nfs/dbraw/zinc/74/69/31/563746931.db2.gz UFLRAFWGXMGEOH-UHFFFAOYSA-N 1 0 378.397 2.501 20 5 GFBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000440867517 563753353 /nfs/dbraw/zinc/75/33/53/563753353.db2.gz SHHPNYWARACGNN-UHFFFAOYSA-N 1 0 396.296 2.912 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415699962 563791947 /nfs/dbraw/zinc/79/19/47/563791947.db2.gz KUPROWFMSCQWCI-HNNXBMFYSA-N 1 0 383.246 2.965 20 5 GFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415708179 563792512 /nfs/dbraw/zinc/79/25/12/563792512.db2.gz XGBWAEMOEMAHNE-FOCQTFQBSA-N 1 0 383.246 2.995 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000541760834 564288208 /nfs/dbraw/zinc/28/82/08/564288208.db2.gz UKJSKRGRKSQFFZ-UHFFFAOYSA-N 1 0 399.266 2.921 20 5 GFBDRO Cc1c(Br)c(NC[C@]2([NH+](C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000543435881 564350588 /nfs/dbraw/zinc/35/05/88/564350588.db2.gz GTIDSLZFDLHZOD-CYBMUJFWSA-N 1 0 375.292 2.910 20 5 GFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000543504819 564353393 /nfs/dbraw/zinc/35/33/93/564353393.db2.gz RHLJTPXEUAKEQQ-WDEREUQCSA-N 1 0 386.246 2.701 20 5 GFBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(Cl)cc(Cl)c1 ZINC000451902739 564364320 /nfs/dbraw/zinc/36/43/20/564364320.db2.gz CQILDZONKUYXIA-INIZCTEOSA-N 1 0 386.235 2.561 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000545231193 564414069 /nfs/dbraw/zinc/41/40/69/564414069.db2.gz VNUZJCJTCWDGLH-UHFFFAOYSA-N 1 0 375.516 2.706 20 5 GFBDRO C[C@H]1CC2(CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000568500131 564420849 /nfs/dbraw/zinc/42/08/49/564420849.db2.gz FSVVSRQJYQLKBK-NSHDSACASA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658159 564559569 /nfs/dbraw/zinc/55/95/69/564559569.db2.gz SNNOIUNGPZDPNC-CHWSQXEVSA-N 1 0 389.905 2.895 20 5 GFBDRO COCC[N@H+](C)CCCNc1ccc(I)cc1[N+](=O)[O-] ZINC000549106981 564585964 /nfs/dbraw/zinc/58/59/64/564585964.db2.gz CRBXRXNXYDPHAA-UHFFFAOYSA-N 1 0 393.225 2.580 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000484773933 564598049 /nfs/dbraw/zinc/59/80/49/564598049.db2.gz CJKQTILZNDCBKN-UHFFFAOYSA-N 1 0 387.889 2.934 20 5 GFBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000520385511 564602773 /nfs/dbraw/zinc/60/27/73/564602773.db2.gz JMUNQABCMZFVPL-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000520740216 564612270 /nfs/dbraw/zinc/61/22/70/564612270.db2.gz DUXCVKDHACVLCQ-LBPRGKRZSA-N 1 0 387.889 2.852 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000574551368 564679171 /nfs/dbraw/zinc/67/91/71/564679171.db2.gz KUENFGMZKHWFDR-JTQLQIEISA-N 1 0 387.255 2.948 20 5 GFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000460889659 564783542 /nfs/dbraw/zinc/78/35/42/564783542.db2.gz OIROEKFWRMSLDG-UHFFFAOYSA-N 1 0 377.894 2.991 20 5 GFBDRO C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000555665829 564801133 /nfs/dbraw/zinc/80/11/33/564801133.db2.gz AQZNUMZJYZDRMS-PHIMTYICSA-N 1 0 389.237 2.724 20 5 GFBDRO CS(=O)(=O)c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000556908680 564845805 /nfs/dbraw/zinc/84/58/05/564845805.db2.gz NZQZRIUDOSLCTL-UHFFFAOYSA-N 1 0 379.463 2.873 20 5 GFBDRO C[N@@H+](CCc1cccc(Br)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000463414855 564880230 /nfs/dbraw/zinc/88/02/30/564880230.db2.gz OWJJEIKZABLQAY-UHFFFAOYSA-N 1 0 380.242 2.694 20 5 GFBDRO Cc1sc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467406840 564962732 /nfs/dbraw/zinc/96/27/32/564962732.db2.gz LHGYVSAMSMHCFZ-RYUDHWBXSA-N 1 0 375.516 2.611 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000589315053 565161586 /nfs/dbraw/zinc/16/15/86/565161586.db2.gz YFLIDVJOFXJRHF-STQMWFEESA-N 1 0 376.194 2.593 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304541 565222726 /nfs/dbraw/zinc/22/27/26/565222726.db2.gz IXYMVFHAHVWLJM-MFKMUULPSA-N 1 0 383.246 2.881 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592390568 565274266 /nfs/dbraw/zinc/27/42/66/565274266.db2.gz KBSZWBGPJOXBBF-QWHCGFSZSA-N 1 0 387.889 2.649 20 5 GFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595481587 565478583 /nfs/dbraw/zinc/47/85/83/565478583.db2.gz HYKZGEUYDVNMOG-STQMWFEESA-N 1 0 383.754 2.724 20 5 GFBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000598987327 565652890 /nfs/dbraw/zinc/65/28/90/565652890.db2.gz KZNBCHRGYUUCSP-YGRLFVJLSA-N 1 0 388.205 2.857 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000599471911 565681917 /nfs/dbraw/zinc/68/19/17/565681917.db2.gz GTSWQPGHXHOXPY-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO C[NH+](C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000600474509 565731823 /nfs/dbraw/zinc/73/18/23/565731823.db2.gz XKTOJTORCVSINC-CQSZACIVSA-N 1 0 386.239 2.517 20 5 GFBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376931 565779760 /nfs/dbraw/zinc/77/97/60/565779760.db2.gz WPZYBHJJXDOYTG-JSGCOSHPSA-N 1 0 385.511 2.602 20 5 GFBDRO C[NH+](C)CCOC1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602473014 565850013 /nfs/dbraw/zinc/85/00/13/565850013.db2.gz GXKSWCNMBXAFQQ-UHFFFAOYSA-N 1 0 392.319 2.961 20 5 GFBDRO COCC[NH+]1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602526526 565852382 /nfs/dbraw/zinc/85/23/82/565852382.db2.gz DDOADJZJZDULSG-UHFFFAOYSA-N 1 0 378.292 2.619 20 5 GFBDRO O=C1CCCCN1CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545129 565854295 /nfs/dbraw/zinc/85/42/95/565854295.db2.gz TVNMDUYLWVSYOG-UHFFFAOYSA-N 1 0 376.276 2.911 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000603975574 565921032 /nfs/dbraw/zinc/92/10/32/565921032.db2.gz BKBLFVRRLYZZNZ-RYUDHWBXSA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](CC4CC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645168 599487475 /nfs/dbraw/zinc/48/74/75/599487475.db2.gz OXBOQTDRJUAVOP-UHFFFAOYSA-N 1 0 394.439 2.609 20 5 GFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000821581719 606139266 /nfs/dbraw/zinc/13/92/66/606139266.db2.gz TZONKPCPLOETTA-AWEZNQCLSA-N 1 0 388.819 2.538 20 5 GFBDRO Cc1ccc([C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000822230365 606705138 /nfs/dbraw/zinc/70/51/38/606705138.db2.gz DOIVZKFWQMLVOC-MRXNPFEDSA-N 1 0 394.439 2.727 20 5 GFBDRO C[NH+](C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821581380 606715503 /nfs/dbraw/zinc/71/55/03/606715503.db2.gz JQZKDLXGUCVXRK-ZDUSSCGKSA-N 1 0 388.819 2.538 20 5 GFBDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826176344 608470785 /nfs/dbraw/zinc/47/07/85/608470785.db2.gz LJGLJKUJVAQELO-GFCCVEGCSA-N 1 0 384.396 2.513 20 5 GFBDRO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825147577 608552198 /nfs/dbraw/zinc/55/21/98/608552198.db2.gz JZPHRZBLFUFAMZ-INIZCTEOSA-N 1 0 396.407 2.802 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000817863589 660210751 /nfs/dbraw/zinc/21/07/51/660210751.db2.gz GKXHIRYPNPROIH-DLOVCJGASA-N 1 0 375.878 2.551 20 5 GFBDRO C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000819912465 660274467 /nfs/dbraw/zinc/27/44/67/660274467.db2.gz RWZWTSFAYBHPIL-JOYOIKCWSA-N 1 0 394.280 2.616 20 5 GFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000826569104 660457151 /nfs/dbraw/zinc/45/71/51/660457151.db2.gz PIXMSLIPHBKKFQ-LBPRGKRZSA-N 1 0 397.273 2.556 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302094 660488185 /nfs/dbraw/zinc/48/81/85/660488185.db2.gz SUCWCYLUFQVDJN-RISCZKNCSA-N 1 0 382.258 2.832 20 5 GFBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830321855 660648346 /nfs/dbraw/zinc/64/83/46/660648346.db2.gz DQWBKMKTKMWUTE-JTQLQIEISA-N 1 0 396.296 2.912 20 5 GFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831187269 660702311 /nfs/dbraw/zinc/70/23/11/660702311.db2.gz FJGQLYKPXLLOIQ-VIFPVBQESA-N 1 0 384.285 2.910 20 5 GFBDRO C[NH+](C)CC1(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000831376294 660708936 /nfs/dbraw/zinc/70/89/36/660708936.db2.gz OZTKYYJICIVAGO-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO Cc1sc(S(=O)(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000123186432 654752612 /nfs/dbraw/zinc/75/26/12/654752612.db2.gz PHXFZYUQDPRZDU-UHFFFAOYSA-N 1 0 375.516 2.755 20 5 GFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001237 654892580 /nfs/dbraw/zinc/89/25/80/654892580.db2.gz QJDFRGRMROJXQP-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132972481 654950460 /nfs/dbraw/zinc/95/04/60/654950460.db2.gz WAYUIGXCBNNKJG-DZGCQCFKSA-N 1 0 399.289 2.932 20 5 GFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000268215912 654963721 /nfs/dbraw/zinc/96/37/21/654963721.db2.gz PJOKYCNRTUZCDI-PELKAZGASA-N 1 0 386.221 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000107708274 655124187 /nfs/dbraw/zinc/12/41/87/655124187.db2.gz CUDYDZHZLALULA-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000110561027 655156968 /nfs/dbraw/zinc/15/69/68/655156968.db2.gz WWSRNGUHVBNTLZ-LBPRGKRZSA-N 1 0 386.290 2.886 20 5 GFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000111172122 655166126 /nfs/dbraw/zinc/16/61/26/655166126.db2.gz XZNNJQQYMJENCP-CYBMUJFWSA-N 1 0 394.273 2.718 20 5 GFBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530555 661090076 /nfs/dbraw/zinc/09/00/76/661090076.db2.gz ACBISZRXTKAEAA-QWHCGFSZSA-N 1 0 382.258 2.848 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000176674270 655251786 /nfs/dbraw/zinc/25/17/86/655251786.db2.gz DYEWNVODPVDTGU-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000177999813 655294696 /nfs/dbraw/zinc/29/46/96/655294696.db2.gz CUGCYKVFOIJGIG-JTQLQIEISA-N 1 0 389.886 2.939 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CCSC1 ZINC000277112858 655303848 /nfs/dbraw/zinc/30/38/48/655303848.db2.gz DPQNCEJWLGZJKD-CQSZACIVSA-N 1 0 388.287 2.524 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120559180 655339073 /nfs/dbraw/zinc/33/90/73/655339073.db2.gz SJQDYPFGOACOBK-GFCCVEGCSA-N 1 0 384.274 2.890 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)ccc1Br ZINC000261904783 655442818 /nfs/dbraw/zinc/44/28/18/655442818.db2.gz XCCWFGVEBDUSTF-INIZCTEOSA-N 1 0 377.242 2.899 20 5 GFBDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577812474 655467589 /nfs/dbraw/zinc/46/75/89/655467589.db2.gz FBVMWZSDTVUFMG-BLLLJJGKSA-N 1 0 397.273 2.526 20 5 GFBDRO CC[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000731969595 655590313 /nfs/dbraw/zinc/59/03/13/655590313.db2.gz YOOWLLDJJXTIPT-NSHDSACASA-N 1 0 377.413 2.877 20 5 GFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985366 655877869 /nfs/dbraw/zinc/87/78/69/655877869.db2.gz FDSNEGROSZGULS-GHMZBOCLSA-N 1 0 386.221 2.853 20 5 GFBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000772071164 656372165 /nfs/dbraw/zinc/37/21/65/656372165.db2.gz YFNRLUALUQUQEE-UHFFFAOYSA-N 1 0 392.193 2.698 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000772951105 656395311 /nfs/dbraw/zinc/39/53/11/656395311.db2.gz VLDPUPMYARBSTM-CYBMUJFWSA-N 1 0 389.905 2.895 20 5 GFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)n1 ZINC000785862744 657391183 /nfs/dbraw/zinc/39/11/83/657391183.db2.gz HESRJPYOTGYWQT-OAHLLOKOSA-N 1 0 395.257 2.924 20 5 GFBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000790037097 657915868 /nfs/dbraw/zinc/91/58/68/657915868.db2.gz MGUHIKKXHRYXOA-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796113166 658893434 /nfs/dbraw/zinc/89/34/34/658893434.db2.gz HHETWOZOSVNEEH-ZYHUDNBSSA-N 1 0 391.852 2.635 20 5 GFBDRO [NH3+]CCN(Cc1cnc2ccc(Br)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000809735018 659937618 /nfs/dbraw/zinc/93/76/18/659937618.db2.gz VRTAQWCSZYLMGV-UHFFFAOYSA-N 1 0 390.241 2.970 20 5 GFBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809788104 659939279 /nfs/dbraw/zinc/93/92/79/659939279.db2.gz NHMAGMVJPOZXSF-UHFFFAOYSA-N 1 0 387.322 2.673 20 5 GFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809834881 659947180 /nfs/dbraw/zinc/94/71/80/659947180.db2.gz DUVJDPXCFFNQFU-UHFFFAOYSA-N 1 0 393.868 2.884 20 5 GFBDRO CC(C)C[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810138243 659964343 /nfs/dbraw/zinc/96/43/43/659964343.db2.gz NBXMSRJSYJUNPA-CYBMUJFWSA-N 1 0 378.210 2.696 20 5 GFBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])O1 ZINC000811487259 660010242 /nfs/dbraw/zinc/01/02/42/660010242.db2.gz UTLIQZKRNKVDGU-AAEUAGOBSA-N 1 0 376.240 2.627 20 5 GFBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813854824 660066097 /nfs/dbraw/zinc/06/60/97/660066097.db2.gz ITOKEWFVTZKTTB-UHFFFAOYSA-N 1 0 391.299 2.857 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000842783964 661353910 /nfs/dbraw/zinc/35/39/10/661353910.db2.gz JFNMOFSUDAAJEQ-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000842891989 661358898 /nfs/dbraw/zinc/35/88/98/661358898.db2.gz BBUMVNRLGIFJOM-CHWSQXEVSA-N 1 0 387.889 2.567 20 5 GFBDRO C[NH+]1CCC(ONC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000846647839 661560618 /nfs/dbraw/zinc/56/06/18/661560618.db2.gz QWAKXEIYHYAQJP-UHFFFAOYSA-N 1 0 392.637 2.766 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848508316 661658104 /nfs/dbraw/zinc/65/81/04/661658104.db2.gz KWELFCUJPVAIHJ-CHWSQXEVSA-N 1 0 387.889 2.852 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849411454 661718234 /nfs/dbraw/zinc/71/82/34/661718234.db2.gz JKKJDNUEGMSNJF-LLVKDONJSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000849418205 661720068 /nfs/dbraw/zinc/72/00/68/661720068.db2.gz CSYNIDJIAIMUPS-LLVKDONJSA-N 1 0 375.878 2.708 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000851812012 661833671 /nfs/dbraw/zinc/83/36/71/661833671.db2.gz CWNVKSSLEZMUSF-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000855809244 662008898 /nfs/dbraw/zinc/00/88/98/662008898.db2.gz AFHNXDRTSLCPQN-LLVKDONJSA-N 1 0 397.273 2.889 20 5 GFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC000863920110 662349804 /nfs/dbraw/zinc/34/98/04/662349804.db2.gz CWGVZLWJSYQHQQ-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000864907141 662390384 /nfs/dbraw/zinc/39/03/84/662390384.db2.gz VZSKQYAARIJBBL-QWHCGFSZSA-N 1 0 382.258 2.643 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775865 662497260 /nfs/dbraw/zinc/49/72/60/662497260.db2.gz BEWIBWPXILPBLF-DZGCQCFKSA-N 1 0 396.285 2.843 20 5 GFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309052 662541048 /nfs/dbraw/zinc/54/10/48/662541048.db2.gz PZNWAIRIMJZNGJ-WCBMZHEXSA-N 1 0 382.269 2.615 20 5 GFBDRO CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000868696939 662615126 /nfs/dbraw/zinc/61/51/26/662615126.db2.gz AJZNPBSUOVQMEF-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877358568 662874419 /nfs/dbraw/zinc/87/44/19/662874419.db2.gz PQWCHWDVPSOWKE-WPRPVWTQSA-N 1 0 397.806 2.936 20 5 GFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877366756 662874757 /nfs/dbraw/zinc/87/47/57/662874757.db2.gz BBYRYVVUHFRLTL-OUJBWJOFSA-N 1 0 377.388 2.671 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000883136190 663050260 /nfs/dbraw/zinc/05/02/60/663050260.db2.gz WWGKJYFGBUOEFR-LLVKDONJSA-N 1 0 397.273 2.641 20 5 GFBDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883295153 663052489 /nfs/dbraw/zinc/05/24/89/663052489.db2.gz YECNXIXIQHPEKA-GXTWGEPZSA-N 1 0 391.287 2.803 20 5 GFBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(Br)n1 ZINC000903188649 663777453 /nfs/dbraw/zinc/77/74/53/663777453.db2.gz UWAYHQIXPKDFLG-NWDGAFQWSA-N 1 0 383.250 2.561 20 5 GFBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572626 664829115 /nfs/dbraw/zinc/82/91/15/664829115.db2.gz QAZXPIHOEBNOTO-KCJUWKMLSA-N 1 0 377.203 2.949 20 5 GFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000934320406 664898549 /nfs/dbraw/zinc/89/85/49/664898549.db2.gz VJECSQWGVKPVEC-NEPJUHHUSA-N 1 0 397.273 2.638 20 5 GFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164730416 720574300 /nfs/dbraw/zinc/57/43/00/720574300.db2.gz VJQKZKBGLUBWNW-UHFFFAOYSA-N 1 0 392.463 2.998 20 5 GFBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024815 721809661 /nfs/dbraw/zinc/80/96/61/721809661.db2.gz KQBRNPXKYWAJFP-JQHSSLGASA-N 1 0 382.468 2.825 20 5 GFBDRO Cc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn2)cc1[N+](=O)[O-] ZINC001164966993 722074175 /nfs/dbraw/zinc/07/41/75/722074175.db2.gz INCOQZMIFFKWIB-HDICACEKSA-N 1 0 395.463 2.660 20 5 GFBDRO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688042 551322951 /nfs/dbraw/zinc/32/29/51/551322951.db2.gz MPOWZXYKCLQBCT-ZDUSSCGKSA-N 1 0 375.516 2.611 20 5 GFBDRO Cn1cc(Br)cc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151585132 551417050 /nfs/dbraw/zinc/41/70/50/551417050.db2.gz ZQKPZDUBTLMQOI-HNNXBMFYSA-N 1 0 398.257 2.568 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000155117542 551491955 /nfs/dbraw/zinc/49/19/55/551491955.db2.gz UENOVDBZVOLMFR-LBPRGKRZSA-N 1 0 381.230 2.835 20 5 GFBDRO [NH3+][C@H]1CCCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000158054456 551546292 /nfs/dbraw/zinc/54/62/92/551546292.db2.gz IZTVHAXFIAELSW-VIFPVBQESA-N 1 0 384.223 2.651 20 5 GFBDRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181641827 552263298 /nfs/dbraw/zinc/26/32/98/552263298.db2.gz AOWVDWZOLUVPHR-LSDHHAIUSA-N 1 0 384.479 2.532 20 5 GFBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000238053684 553085580 /nfs/dbraw/zinc/08/55/80/553085580.db2.gz RICWUAPYIZOFGL-SECBINFHSA-N 1 0 384.223 2.651 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371228753 563269350 /nfs/dbraw/zinc/26/93/50/563269350.db2.gz HUFMVTDISORQPE-INIZCTEOSA-N 1 0 396.285 2.890 20 5 GFBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420763704 563284995 /nfs/dbraw/zinc/28/49/95/563284995.db2.gz JOWXIXFPRZDKHD-SNVBAGLBSA-N 1 0 382.269 2.616 20 5 GFBDRO C[N@H+](CCCCC(F)(F)F)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971730 563292466 /nfs/dbraw/zinc/29/24/66/563292466.db2.gz JEZREXCAJGRDFG-UHFFFAOYSA-N 1 0 383.392 2.538 20 5 GFBDRO COC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000279812609 563311928 /nfs/dbraw/zinc/31/19/28/563311928.db2.gz OQIIWTMLNBJBMB-SNVBAGLBSA-N 1 0 385.214 2.714 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373550648 563341761 /nfs/dbraw/zinc/34/17/61/563341761.db2.gz HVZOXKVQCQQHJC-NHYWBVRUSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374293605 563367397 /nfs/dbraw/zinc/36/73/97/563367397.db2.gz HYGDBPAUVFTWDR-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO C[NH+]1CCC(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000285471066 563522252 /nfs/dbraw/zinc/52/22/52/563522252.db2.gz QGIYUSVLSWNKDP-UHFFFAOYSA-N 1 0 397.273 2.519 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000285703507 563533245 /nfs/dbraw/zinc/53/32/45/563533245.db2.gz SPGYNAKPLSWTRS-FUNVUKJBSA-N 1 0 387.889 2.802 20 5 GFBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])cc1Br ZINC000433410716 563612486 /nfs/dbraw/zinc/61/24/86/563612486.db2.gz CCTIUQUEWKTUCP-UHFFFAOYSA-N 1 0 380.246 2.716 20 5 GFBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289640410 563681376 /nfs/dbraw/zinc/68/13/76/563681376.db2.gz XPQQILJMKUOIBK-VHSXEESVSA-N 1 0 378.210 2.696 20 5 GFBDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290979070 563728339 /nfs/dbraw/zinc/72/83/39/563728339.db2.gz YIJYNUAUPDKSPA-UHFFFAOYSA-N 1 0 396.296 2.663 20 5 GFBDRO COCC[C@@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000414477668 563743636 /nfs/dbraw/zinc/74/36/36/563743636.db2.gz BUCQEUQRUUEXAA-SNVBAGLBSA-N 1 0 378.210 2.962 20 5 GFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416469237 563833808 /nfs/dbraw/zinc/83/38/08/563833808.db2.gz CSGFSKYKCKVDSI-JTQLQIEISA-N 1 0 383.392 2.622 20 5 GFBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000367202207 563835311 /nfs/dbraw/zinc/83/53/11/563835311.db2.gz YNHZKWKHOAQSHF-HNNXBMFYSA-N 1 0 397.317 2.962 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367885594 563858482 /nfs/dbraw/zinc/85/84/82/563858482.db2.gz MFZRDXJXOMUINN-WFASDCNBSA-N 1 0 387.889 2.709 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259648 563861899 /nfs/dbraw/zinc/86/18/99/563861899.db2.gz ZBTGMKJHNRTJAD-LBPRGKRZSA-N 1 0 384.274 2.700 20 5 GFBDRO Cc1c(Br)c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000564469862 564234893 /nfs/dbraw/zinc/23/48/93/564234893.db2.gz IUXUTRROMBRROV-CYBMUJFWSA-N 1 0 399.289 2.752 20 5 GFBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1(C)C ZINC000451502643 564320139 /nfs/dbraw/zinc/32/01/39/564320139.db2.gz PIXPPPFIXJSLDY-CHWSQXEVSA-N 1 0 386.246 2.699 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455395628 564552299 /nfs/dbraw/zinc/55/22/99/564552299.db2.gz BMISMYFUIPDHGP-OAHLLOKOSA-N 1 0 383.246 2.917 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571638248 564560196 /nfs/dbraw/zinc/56/01/96/564560196.db2.gz ANACBPRZJUZWRD-NWDGAFQWSA-N 1 0 382.258 2.819 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978087 564780076 /nfs/dbraw/zinc/78/00/76/564780076.db2.gz FQNBLLBJPIROTA-NSHDSACASA-N 1 0 389.237 2.631 20 5 GFBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)cs1 ZINC000494154408 564818289 /nfs/dbraw/zinc/81/82/89/564818289.db2.gz UAFWOXGYKYTJFN-UHFFFAOYSA-N 1 0 389.275 2.764 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462568088 564848012 /nfs/dbraw/zinc/84/80/12/564848012.db2.gz XRPDUWRSFQSREN-AWEZNQCLSA-N 1 0 387.889 2.791 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495560633 564855614 /nfs/dbraw/zinc/85/56/14/564855614.db2.gz DWPARUDNPKMHGY-CQSZACIVSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000498349998 564897100 /nfs/dbraw/zinc/89/71/00/564897100.db2.gz NYFAMFJQWVJEJB-SECBINFHSA-N 1 0 382.214 2.971 20 5 GFBDRO CO[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000558485516 564903313 /nfs/dbraw/zinc/90/33/13/564903313.db2.gz CSAYAFFFDQNIOI-CYBMUJFWSA-N 1 0 378.210 2.960 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000466379451 564938706 /nfs/dbraw/zinc/93/87/06/564938706.db2.gz CZPYXWVIOMYTFS-UHFFFAOYSA-N 1 0 383.857 2.706 20 5 GFBDRO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000591257514 565219679 /nfs/dbraw/zinc/21/96/79/565219679.db2.gz BVWJOBXGNQFVGN-UHFFFAOYSA-N 1 0 383.857 2.921 20 5 GFBDRO COc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000591770591 565239363 /nfs/dbraw/zinc/23/93/63/565239363.db2.gz PXVMFERQELUUCO-UHFFFAOYSA-N 1 0 384.841 2.820 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000591845496 565241657 /nfs/dbraw/zinc/24/16/57/565241657.db2.gz TUCIJUBUPIIPGC-INIZCTEOSA-N 1 0 397.317 2.569 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000592256086 565264489 /nfs/dbraw/zinc/26/44/89/565264489.db2.gz XKXYYIDZIOQQEX-RYUDHWBXSA-N 1 0 382.258 2.819 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592356839 565271648 /nfs/dbraw/zinc/27/16/48/565271648.db2.gz GNBDGXZTDXBDIR-JTQLQIEISA-N 1 0 386.149 2.674 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570446 565282193 /nfs/dbraw/zinc/28/21/93/565282193.db2.gz KBONPVMPIPSXGP-AWEZNQCLSA-N 1 0 382.258 2.691 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594790467 565421709 /nfs/dbraw/zinc/42/17/09/565421709.db2.gz LLNRWOYZLCFCPP-LLVKDONJSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793052 565421958 /nfs/dbraw/zinc/42/19/58/565421958.db2.gz TXAMVIMNLCCIMT-GFCCVEGCSA-N 1 0 389.905 2.955 20 5 GFBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000598042806 565591002 /nfs/dbraw/zinc/59/10/02/565591002.db2.gz YLQNFGPXRPLLCJ-AWEZNQCLSA-N 1 0 384.274 2.843 20 5 GFBDRO CC(=O)N1CCC(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602538883 565853870 /nfs/dbraw/zinc/85/38/70/565853870.db2.gz ZTEIAKDFDAKKMZ-UHFFFAOYSA-N 1 0 376.276 2.767 20 5 GFBDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602561044 565855206 /nfs/dbraw/zinc/85/52/06/565855206.db2.gz PWKIVLGHHYDHGN-UHFFFAOYSA-N 1 0 385.305 2.722 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000603958700 565921180 /nfs/dbraw/zinc/92/11/80/565921180.db2.gz LGDKGJVXKJDREK-NSHDSACASA-N 1 0 375.878 2.567 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823645902 599591799 /nfs/dbraw/zinc/59/17/99/599591799.db2.gz VDDLQKUJKFRQGQ-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(-c2nn[nH]n2)c1C ZINC000826341248 608471347 /nfs/dbraw/zinc/47/13/47/608471347.db2.gz BNOBIQPSUOCVJW-MNOVXSKESA-N 1 0 399.411 2.663 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000818429666 660225724 /nfs/dbraw/zinc/22/57/24/660225724.db2.gz APMQDNZOCNJXFG-LBPRGKRZSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc(I)c(OCCC2CC[NH2+]CC2)c1 ZINC000818620365 660230328 /nfs/dbraw/zinc/23/03/28/660230328.db2.gz YIVYXSXAHHSOKT-UHFFFAOYSA-N 1 0 376.194 2.968 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267928913 654952661 /nfs/dbraw/zinc/95/26/61/654952661.db2.gz NGJFUFHDBSIGGB-JTQLQIEISA-N 1 0 388.237 2.910 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797690 654986545 /nfs/dbraw/zinc/98/65/45/654986545.db2.gz TYVFHACIMNQKGJ-ZDUSSCGKSA-N 1 0 384.274 2.906 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000093817528 655021327 /nfs/dbraw/zinc/02/13/27/655021327.db2.gz GPOXUKKCCNMWLU-CQSZACIVSA-N 1 0 384.274 2.511 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178642952 655306936 /nfs/dbraw/zinc/30/69/36/655306936.db2.gz HPZDHWLPEQVJHC-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2[N+](=O)[O-])n1 ZINC000178746981 655309103 /nfs/dbraw/zinc/30/91/03/655309103.db2.gz OUPDHOPRQWXRPW-GFCCVEGCSA-N 1 0 378.479 2.993 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522382 655351997 /nfs/dbraw/zinc/35/19/97/655351997.db2.gz WKJXTEFRBHZQKK-GOEBONIOSA-N 1 0 382.873 2.672 20 5 GFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731997339 655590567 /nfs/dbraw/zinc/59/05/67/655590567.db2.gz JFJLGEADJNGZHD-NSHDSACASA-N 1 0 377.413 2.733 20 5 GFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000743345122 655728114 /nfs/dbraw/zinc/72/81/14/655728114.db2.gz ROFXZAQNZZDVPR-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000752234811 655841127 /nfs/dbraw/zinc/84/11/27/655841127.db2.gz MCTKGOYJQOGIAG-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752234045 655841155 /nfs/dbraw/zinc/84/11/55/655841155.db2.gz CRJOGAXMPIDFLR-NSHDSACASA-N 1 0 375.878 2.567 20 5 GFBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755007718 655878374 /nfs/dbraw/zinc/87/83/74/655878374.db2.gz LILRISMHGIWEKT-NSHDSACASA-N 1 0 376.226 2.812 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000841160237 661239975 /nfs/dbraw/zinc/23/99/75/661239975.db2.gz AJJPMFMKAVUAPF-IRUJWGPZSA-N 1 0 383.246 2.948 20 5 GFBDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000776002097 656702097 /nfs/dbraw/zinc/70/20/97/656702097.db2.gz SBZOHUCHWLUFBR-NZVBXONLSA-N 1 0 386.905 2.553 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000784472318 657311581 /nfs/dbraw/zinc/31/15/81/657311581.db2.gz HGWQQHAUFDTFSB-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)n1 ZINC000785873773 657391638 /nfs/dbraw/zinc/39/16/38/657391638.db2.gz SAOYEEHKGMLASX-OAHLLOKOSA-N 1 0 395.257 2.924 20 5 GFBDRO CC[N@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000791235754 658070750 /nfs/dbraw/zinc/07/07/50/658070750.db2.gz RRQHJEXCQBFGPS-UHFFFAOYSA-N 1 0 382.258 2.726 20 5 GFBDRO CC1CC[NH+](CCCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795289965 658801383 /nfs/dbraw/zinc/80/13/83/658801383.db2.gz JDDACIKYQBFOJN-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164287 659077323 /nfs/dbraw/zinc/07/73/23/659077323.db2.gz JFDJYLNKDMQHMW-WDEREUQCSA-N 1 0 385.262 2.603 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000798225680 659084443 /nfs/dbraw/zinc/08/44/43/659084443.db2.gz GXDDAMBRIXLSKP-QWRGUYRKSA-N 1 0 393.868 2.786 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000798464531 659109521 /nfs/dbraw/zinc/10/95/21/659109521.db2.gz QPMMCNJCULZNFD-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO CC[NH+](CC)CCOC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803722964 659598546 /nfs/dbraw/zinc/59/85/46/659598546.db2.gz KJCNTHMQIIWUFY-UHFFFAOYSA-N 1 0 388.262 2.679 20 5 GFBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834852 659947207 /nfs/dbraw/zinc/94/72/07/659947207.db2.gz GTNSDXBSYSWUMK-VIFPVBQESA-N 1 0 382.269 2.664 20 5 GFBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813452242 660054429 /nfs/dbraw/zinc/05/44/29/660054429.db2.gz XKXLBUMRKLQLAI-UHFFFAOYSA-N 1 0 389.283 2.659 20 5 GFBDRO C[N@H+](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000815009473 660100986 /nfs/dbraw/zinc/10/09/86/660100986.db2.gz GHSBFVMTYKKRHE-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034804 660105091 /nfs/dbraw/zinc/10/50/91/660105091.db2.gz CEAICPGLJNFALJ-QWRGUYRKSA-N 1 0 393.868 2.786 20 5 GFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035443 660105333 /nfs/dbraw/zinc/10/53/33/660105333.db2.gz IABJGLODHGLJNA-UHFFFAOYSA-N 1 0 393.868 2.884 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000841546101 661295430 /nfs/dbraw/zinc/29/54/30/661295430.db2.gz HIVQPVAPNCDUSK-GFCCVEGCSA-N 1 0 375.878 2.567 20 5 GFBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000846233737 661539619 /nfs/dbraw/zinc/53/96/19/661539619.db2.gz WUTZVUPZLVNRQG-UHFFFAOYSA-N 1 0 383.857 2.755 20 5 GFBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000848023961 661621272 /nfs/dbraw/zinc/62/12/72/661621272.db2.gz DWWSRDIGJRFHHU-NSHDSACASA-N 1 0 378.256 2.724 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000865124177 662399930 /nfs/dbraw/zinc/39/99/30/662399930.db2.gz CYPWPRLVCITZPR-CYBMUJFWSA-N 1 0 382.258 2.597 20 5 GFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866512826 662478084 /nfs/dbraw/zinc/47/80/84/662478084.db2.gz DQFVUDXPKLQNOF-AWEZNQCLSA-N 1 0 398.301 2.994 20 5 GFBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000868283865 662600579 /nfs/dbraw/zinc/60/05/79/662600579.db2.gz JJBYFFPZIGDIFG-PBWFPOADSA-N 1 0 396.285 2.983 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827215 662837656 /nfs/dbraw/zinc/83/76/56/662837656.db2.gz YBJILFMRYLHTNA-ZIAGYGMSSA-N 1 0 382.258 2.595 20 5 GFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836275 662838013 /nfs/dbraw/zinc/83/80/13/662838013.db2.gz DYOLIJLWYQLEGV-GJZGRUSLSA-N 1 0 382.258 2.595 20 5 GFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877355756 662874193 /nfs/dbraw/zinc/87/41/93/662874193.db2.gz BQZMRMGKIAZLLQ-BXKDBHETSA-N 1 0 377.388 2.916 20 5 GFBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000877401843 662875541 /nfs/dbraw/zinc/87/55/41/662875541.db2.gz PZPUMCYWYWZTJP-MRVPVSSYSA-N 1 0 378.248 2.739 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000883294784 663052460 /nfs/dbraw/zinc/05/24/60/663052460.db2.gz LEJXEPQXHQFFMC-UHFFFAOYSA-N 1 0 392.257 2.906 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883295717 663052473 /nfs/dbraw/zinc/05/24/73/663052473.db2.gz QQCIGMBBHPYXLL-HNNXBMFYSA-N 1 0 384.274 2.700 20 5 GFBDRO C[NH+]1CCC2(CCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000889221813 663237865 /nfs/dbraw/zinc/23/78/65/663237865.db2.gz SKBYZRRKEPKZKB-UHFFFAOYSA-N 1 0 382.258 2.597 20 5 GFBDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889724922 663260765 /nfs/dbraw/zinc/26/07/65/663260765.db2.gz KFJPRZYLFGGOTJ-UHFFFAOYSA-N 1 0 385.262 2.595 20 5 GFBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897782445 663620213 /nfs/dbraw/zinc/62/02/13/663620213.db2.gz VJEKUCGCQXPOJC-UHFFFAOYSA-N 1 0 395.262 2.654 20 5 GFBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880709 663623500 /nfs/dbraw/zinc/62/35/00/663623500.db2.gz MKFLYXXETFKDPP-VIFPVBQESA-N 1 0 394.230 2.617 20 5 GFBDRO C[C@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[NH+]2CCC1CC2 ZINC000912378942 664284364 /nfs/dbraw/zinc/28/43/64/664284364.db2.gz ULLNXSPLWIFDIW-HNNXBMFYSA-N 1 0 386.221 2.711 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912877246 664307058 /nfs/dbraw/zinc/30/70/58/664307058.db2.gz WVWIHZKHJWNCLS-UHFFFAOYSA-N 1 0 382.258 2.976 20 5 GFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913275254 664330679 /nfs/dbraw/zinc/33/06/79/664330679.db2.gz SSQRPWAEOPDFGS-HZPDHXFCSA-N 1 0 382.258 2.771 20 5 GFBDRO C[NH+](C)C1(C)CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000913390323 664334620 /nfs/dbraw/zinc/33/46/20/664334620.db2.gz VGSCQBXXOUEEGC-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO C[NH+](C)CCC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000931076187 664784557 /nfs/dbraw/zinc/78/45/57/664784557.db2.gz OBNMMZORUQALPA-HNNXBMFYSA-N 1 0 386.290 2.900 20 5 GFBDRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2 ZINC001164420263 718889243 /nfs/dbraw/zinc/88/92/43/718889243.db2.gz SZDHHKXEADMVSI-VFZGTOFNSA-N 1 0 381.770 2.788 20 5 GFBDRO COC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164621114 719068891 /nfs/dbraw/zinc/06/88/91/719068891.db2.gz HGKLXUIUTASPCB-QFBILLFUSA-N 1 0 396.447 2.877 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2c1CC[NH2+]C2 ZINC001164683614 719620050 /nfs/dbraw/zinc/62/00/50/719620050.db2.gz UCYQMZKBWTVMOQ-UHFFFAOYSA-N 1 0 380.452 2.815 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164771881 721167208 /nfs/dbraw/zinc/16/72/08/721167208.db2.gz RQOOPGXPRLZDGS-ZWKOTPCHSA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930182 721882468 /nfs/dbraw/zinc/88/24/68/721882468.db2.gz CIPLZWVFSLCSHM-RBUKOAKNSA-N 1 0 396.495 2.575 20 5 GFBDRO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604508424 721920080 /nfs/dbraw/zinc/92/00/80/721920080.db2.gz JLSHQZLLOVHFNY-GOSISDBHSA-N 1 0 383.452 2.661 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000123663089 551308257 /nfs/dbraw/zinc/30/82/57/551308257.db2.gz YJERMXOWQFFURN-GWCFXTLKSA-N 1 0 382.258 2.974 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000125692156 551322916 /nfs/dbraw/zinc/32/29/16/551322916.db2.gz MWPKTNKUMIYTHN-OCCSQVGLSA-N 1 0 385.511 2.602 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160148731 551576220 /nfs/dbraw/zinc/57/62/20/551576220.db2.gz GYSUHXZCASUJHA-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162787148 551612782 /nfs/dbraw/zinc/61/27/82/551612782.db2.gz TYIIMLZDBILWOH-SNVBAGLBSA-N 1 0 383.392 2.622 20 5 GFBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163409400 551619736 /nfs/dbraw/zinc/61/97/36/551619736.db2.gz VNJGETDQEDZDDC-UHFFFAOYSA-N 1 0 383.392 2.624 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163910107 551622874 /nfs/dbraw/zinc/62/28/74/551622874.db2.gz YIAIKHLFJHQTAE-AOOOYVTPSA-N 1 0 388.649 2.977 20 5 GFBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000172821189 551687716 /nfs/dbraw/zinc/68/77/16/551687716.db2.gz VUXNCTATLNIANB-UHFFFAOYSA-N 1 0 387.527 2.813 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176722364 552144555 /nfs/dbraw/zinc/14/45/55/552144555.db2.gz DGHGWJWDEWYPJE-CYBMUJFWSA-N 1 0 387.889 2.663 20 5 GFBDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181442811 552256982 /nfs/dbraw/zinc/25/69/82/552256982.db2.gz NAMUCNQPEKNQMZ-NSHDSACASA-N 1 0 396.245 2.561 20 5 GFBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261551795 553153518 /nfs/dbraw/zinc/15/35/18/553153518.db2.gz YEBFZEBLNKZVMR-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420481552 563266183 /nfs/dbraw/zinc/26/61/83/563266183.db2.gz RJCIMLNLYYCUSG-BDAKNGLRSA-N 1 0 382.269 2.507 20 5 GFBDRO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000372745062 563315884 /nfs/dbraw/zinc/31/58/84/563315884.db2.gz VEOPFOJABJFDIP-OAHLLOKOSA-N 1 0 381.479 2.576 20 5 GFBDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000297190693 563319078 /nfs/dbraw/zinc/31/90/78/563319078.db2.gz UHBMVXSHOBUKEP-CQSZACIVSA-N 1 0 394.280 2.618 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000372936017 563323010 /nfs/dbraw/zinc/32/30/10/563323010.db2.gz VBTDNUSCEYHXEY-ZDUSSCGKSA-N 1 0 384.274 2.843 20 5 GFBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000374395689 563371312 /nfs/dbraw/zinc/37/13/12/563371312.db2.gz VIIKAPTZPYDKFQ-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO C[C@@H]1CCC[C@](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301935140 563415902 /nfs/dbraw/zinc/41/59/02/563415902.db2.gz PBBJJRLJEVVNLX-ABAIWWIYSA-N 1 0 375.516 2.982 20 5 GFBDRO CN1CC[NH+](CCC(C)(C)Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000302284492 563424552 /nfs/dbraw/zinc/42/45/52/563424552.db2.gz VJOOCKMPJXZNOQ-UHFFFAOYSA-N 1 0 386.294 2.580 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378234334 563499855 /nfs/dbraw/zinc/49/98/55/563499855.db2.gz VHTZGEXKZHXBBU-OCCSQVGLSA-N 1 0 387.889 2.709 20 5 GFBDRO CC[N@@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000330563121 563510923 /nfs/dbraw/zinc/51/09/23/563510923.db2.gz JURMAPWUJLTJGZ-RYUDHWBXSA-N 1 0 399.289 2.710 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285538964 563525815 /nfs/dbraw/zinc/52/58/15/563525815.db2.gz HUPVPQXJWQMBGL-NHYWBVRUSA-N 1 0 382.258 2.832 20 5 GFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000430715398 563548379 /nfs/dbraw/zinc/54/83/79/563548379.db2.gz ACEUDTMOXHWWKE-AWEZNQCLSA-N 1 0 384.274 2.794 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332046513 563572610 /nfs/dbraw/zinc/57/26/10/563572610.db2.gz MKBGQIYKAQGVAC-CABCVRRESA-N 1 0 382.258 2.643 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077891 563735108 /nfs/dbraw/zinc/73/51/08/563735108.db2.gz KTXFBOJUNPAUMT-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364079406 563742480 /nfs/dbraw/zinc/74/24/80/563742480.db2.gz UISWGVCBSDULIX-CHWSQXEVSA-N 1 0 382.258 2.643 20 5 GFBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710496 563792569 /nfs/dbraw/zinc/79/25/69/563792569.db2.gz ZGGJPZVZSNVCOD-PRHODGIISA-N 1 0 387.234 2.592 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000366940832 563825009 /nfs/dbraw/zinc/82/50/09/563825009.db2.gz LXWWSJMDVHEQQW-AWEZNQCLSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCc2sccc21 ZINC000540174369 564241010 /nfs/dbraw/zinc/24/10/10/564241010.db2.gz SAJWEVYXKOXWIU-ZDUSSCGKSA-N 1 0 381.479 2.602 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(Br)cs2)c1 ZINC000571301739 564545909 /nfs/dbraw/zinc/54/59/09/564545909.db2.gz RDRCLRXYTKPNPA-GFCCVEGCSA-N 1 0 387.255 2.948 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)c1 ZINC000573199412 564627361 /nfs/dbraw/zinc/62/73/61/564627361.db2.gz WPZXQWVLZBRQMI-ZDUSSCGKSA-N 1 0 389.239 2.518 20 5 GFBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553045570 564708068 /nfs/dbraw/zinc/70/80/68/564708068.db2.gz BMLIVPVVXSNVNU-JTQLQIEISA-N 1 0 375.256 2.901 20 5 GFBDRO COc1ncccc1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000576554336 564715706 /nfs/dbraw/zinc/71/57/06/564715706.db2.gz DJMJWEMXMASCMS-UHFFFAOYSA-N 1 0 399.188 2.893 20 5 GFBDRO [NH3+]CCC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000580574844 564765068 /nfs/dbraw/zinc/76/50/68/564765068.db2.gz MXSKRVUSOWLIKD-UHFFFAOYSA-N 1 0 382.269 2.651 20 5 GFBDRO CC[C@@H](O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554970728 564780308 /nfs/dbraw/zinc/78/03/08/564780308.db2.gz FTXQKBQOLYXQCF-CYBMUJFWSA-N 1 0 378.210 2.840 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000490860690 564783476 /nfs/dbraw/zinc/78/34/76/564783476.db2.gz SVPDPSPLVRSIQT-CHWSQXEVSA-N 1 0 377.388 2.731 20 5 GFBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463034843 564867648 /nfs/dbraw/zinc/86/76/48/564867648.db2.gz NPUJRIUPDCTWLH-LBPRGKRZSA-N 1 0 376.194 2.810 20 5 GFBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000504007651 565032634 /nfs/dbraw/zinc/03/26/34/565032634.db2.gz GOAZRTHHPRGVJM-UHFFFAOYSA-N 1 0 377.894 2.988 20 5 GFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614170 565050686 /nfs/dbraw/zinc/05/06/86/565050686.db2.gz TWLOJQDNYRIAQT-JHJVBQTASA-N 1 0 389.905 2.893 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000584834813 565100268 /nfs/dbraw/zinc/10/02/68/565100268.db2.gz YNSMZOGZOCXXRZ-CYBMUJFWSA-N 1 0 397.225 2.592 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCNc2ccccn2)c1 ZINC000589313134 565161524 /nfs/dbraw/zinc/16/15/24/565161524.db2.gz FRWGWJJJNPGPCP-UHFFFAOYSA-N 1 0 398.204 2.796 20 5 GFBDRO Cc1c(Br)c(=O)n(C[C@@H](C[NH3+])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000592163910 565262292 /nfs/dbraw/zinc/26/22/92/565262292.db2.gz HXQDRKOSXJSWTJ-LLVKDONJSA-N 1 0 384.205 2.709 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390378 565273323 /nfs/dbraw/zinc/27/33/23/565273323.db2.gz HPOXESKWMZWKOO-OLZOCXBDSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000594983923 565440096 /nfs/dbraw/zinc/44/00/96/565440096.db2.gz RGZAGYUQPQHKAN-LBPRGKRZSA-N 1 0 390.221 2.698 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000602541858 565854327 /nfs/dbraw/zinc/85/43/27/565854327.db2.gz RHFROWYESYDDQG-GXFFZTMASA-N 1 0 377.388 2.673 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000610576896 566088985 /nfs/dbraw/zinc/08/89/85/566088985.db2.gz DHHJYMKWPSDYRD-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736291708 598976129 /nfs/dbraw/zinc/97/61/29/598976129.db2.gz YDFJKEOBTLFCPI-OAHLLOKOSA-N 1 0 393.451 2.876 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000738360306 598765822 /nfs/dbraw/zinc/76/58/22/598765822.db2.gz OJEZAUCRLVBYBE-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820728853 606138681 /nfs/dbraw/zinc/13/86/81/606138681.db2.gz ZNJGXQVSTPQFOU-HNNXBMFYSA-N 1 0 393.451 2.876 20 5 GFBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820903859 606936547 /nfs/dbraw/zinc/93/65/47/606936547.db2.gz YWOAZAVROFSQTD-GFCCVEGCSA-N 1 0 382.428 2.609 20 5 GFBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000542505834 650406620 /nfs/dbraw/zinc/40/66/20/650406620.db2.gz MNGJESASUJSIMR-UHFFFAOYSA-N 1 0 386.294 2.500 20 5 GFBDRO Cc1ccc(N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1Br ZINC000826767750 660464239 /nfs/dbraw/zinc/46/42/39/660464239.db2.gz PPGILXDYRXLVEM-UHFFFAOYSA-N 1 0 384.274 2.967 20 5 GFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000828111500 660533301 /nfs/dbraw/zinc/53/33/01/660533301.db2.gz NBBFMUYUHDKVKR-UHFFFAOYSA-N 1 0 399.289 2.886 20 5 GFBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ncc1Br)C[NH+]1CCCC1 ZINC000830344141 660649220 /nfs/dbraw/zinc/64/92/20/660649220.db2.gz MZYITGGGSUXKET-UHFFFAOYSA-N 1 0 385.262 2.604 20 5 GFBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832297089 660771841 /nfs/dbraw/zinc/77/18/41/660771841.db2.gz CDIGPODBFRXISF-UHFFFAOYSA-N 1 0 381.857 2.786 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000832751079 660798379 /nfs/dbraw/zinc/79/83/79/660798379.db2.gz LNXAMIGWZAUYTF-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO CC(C)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000122179329 654730524 /nfs/dbraw/zinc/73/05/24/654730524.db2.gz ZIBXQVBFVZKOCA-UHFFFAOYSA-N 1 0 383.495 2.848 20 5 GFBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000126211533 654810153 /nfs/dbraw/zinc/81/01/53/654810153.db2.gz LPAJBNHJKYTQRI-JTQLQIEISA-N 1 0 381.376 2.559 20 5 GFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000266209504 654863384 /nfs/dbraw/zinc/86/33/84/654863384.db2.gz MJEMUEQAKOKGJR-NSHDSACASA-N 1 0 377.413 2.512 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000838144523 661030441 /nfs/dbraw/zinc/03/04/41/661030441.db2.gz OYJMNGPLLQCNMN-JTQLQIEISA-N 1 0 388.237 2.958 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267939698 654953396 /nfs/dbraw/zinc/95/33/96/654953396.db2.gz RJMFWJQWFLAINA-SNVBAGLBSA-N 1 0 388.237 2.910 20 5 GFBDRO C[NH+](C)CCCOC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268508273 654975521 /nfs/dbraw/zinc/97/55/21/654975521.db2.gz VOBJCPPBPYQJAR-UHFFFAOYSA-N 1 0 387.278 2.689 20 5 GFBDRO O=C1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCN1 ZINC000093101715 655017564 /nfs/dbraw/zinc/01/75/64/655017564.db2.gz HSPNDSYSKADZKD-UHFFFAOYSA-N 1 0 394.225 2.939 20 5 GFBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000270238500 655038327 /nfs/dbraw/zinc/03/83/27/655038327.db2.gz PQPBTZOYMIJOTG-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000272562709 655116318 /nfs/dbraw/zinc/11/63/18/655116318.db2.gz FCHDQJDSMPDZAA-LLVKDONJSA-N 1 0 383.857 2.789 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707816 655124169 /nfs/dbraw/zinc/12/41/69/655124169.db2.gz SEORVQHERGNKTE-ZDUSSCGKSA-N 1 0 387.889 2.887 20 5 GFBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530557 661090180 /nfs/dbraw/zinc/09/01/80/661090180.db2.gz ACBISZRXTKAEAA-STQMWFEESA-N 1 0 382.258 2.848 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000176127981 655236000 /nfs/dbraw/zinc/23/60/00/655236000.db2.gz QYDNTJZKMWRQHL-HNNXBMFYSA-N 1 0 396.285 2.987 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000176674077 655251725 /nfs/dbraw/zinc/25/17/25/655251725.db2.gz KXPXFOUKNPDSEC-LLVKDONJSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000176975759 655264277 /nfs/dbraw/zinc/26/42/77/655264277.db2.gz KSBQYGOOHQBHCW-UHFFFAOYSA-N 1 0 382.829 2.597 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277003983 655297785 /nfs/dbraw/zinc/29/77/85/655297785.db2.gz KJINFMMUJMKWMC-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119553644 655307041 /nfs/dbraw/zinc/30/70/41/655307041.db2.gz LIUOQFOWRIMVAM-UHFFFAOYSA-N 1 0 383.495 2.975 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000120122181 655328420 /nfs/dbraw/zinc/32/84/20/655328420.db2.gz SZAAXEKFVQCBKP-ZDUSSCGKSA-N 1 0 396.285 2.844 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246063015 655428885 /nfs/dbraw/zinc/42/88/85/655428885.db2.gz DKDQKBIQBWZFTF-WCQYABFASA-N 1 0 375.878 2.599 20 5 GFBDRO C[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000840177604 661144224 /nfs/dbraw/zinc/14/42/24/661144224.db2.gz IUVHVBUVXXLNIM-CYBMUJFWSA-N 1 0 394.273 2.718 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000752231563 655841060 /nfs/dbraw/zinc/84/10/60/655841060.db2.gz JMKKNLCUHVLOFC-UHFFFAOYSA-N 1 0 377.894 2.954 20 5 GFBDRO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764189912 656104110 /nfs/dbraw/zinc/10/41/10/656104110.db2.gz ZQXXVNVQFJKYLF-UKRRQHHQSA-N 1 0 397.317 2.820 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000779874392 656951937 /nfs/dbraw/zinc/95/19/37/656951937.db2.gz PDYYDOOIGNEYFB-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779905741 656962403 /nfs/dbraw/zinc/96/24/03/656962403.db2.gz MWNFJVQUPGZTAL-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791419000 658094206 /nfs/dbraw/zinc/09/42/06/658094206.db2.gz RMYNYARPLNBUHC-SECBINFHSA-N 1 0 382.269 2.664 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000795335284 658807734 /nfs/dbraw/zinc/80/77/34/658807734.db2.gz OXJDVALDDGVTDF-JKSUJKDBSA-N 1 0 399.216 2.853 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795337636 658807891 /nfs/dbraw/zinc/80/78/91/658807891.db2.gz XCNVTIQOJSGGHN-JKSUJKDBSA-N 1 0 399.216 2.853 20 5 GFBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[NH+]1CCC(C)CC1 ZINC000798166326 659077857 /nfs/dbraw/zinc/07/78/57/659077857.db2.gz VSBDPOAJPTZZDD-NSHDSACASA-N 1 0 385.262 2.603 20 5 GFBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808334374 659889316 /nfs/dbraw/zinc/88/93/16/659889316.db2.gz BVJONFNYYVVEAY-UHFFFAOYSA-N 1 0 375.516 2.933 20 5 GFBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@@H+]1C ZINC000809821100 659943055 /nfs/dbraw/zinc/94/30/55/659943055.db2.gz HWZSHNXAZJOJLK-DTWKUNHWSA-N 1 0 382.269 2.663 20 5 GFBDRO CCN(CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])S(C)(=O)=O ZINC000811475388 660009895 /nfs/dbraw/zinc/00/98/95/660009895.db2.gz MBISEBLVHWSAJG-UHFFFAOYSA-N 1 0 384.285 2.663 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018921 660102328 /nfs/dbraw/zinc/10/23/28/660102328.db2.gz DNTJHKFVEKANLW-LLVKDONJSA-N 1 0 393.868 2.740 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br ZINC000815290661 660119948 /nfs/dbraw/zinc/11/99/48/660119948.db2.gz MNDPTECGCQSCTQ-CVEARBPZSA-N 1 0 385.258 2.767 20 5 GFBDRO C[C@H]1C[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[NH2+]1 ZINC000841985107 661318975 /nfs/dbraw/zinc/31/89/75/661318975.db2.gz JQOOGHKLSGWANP-QWRGUYRKSA-N 1 0 397.273 2.566 20 5 GFBDRO C[NH2+]C[C@H](C)c1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000842579657 661344166 /nfs/dbraw/zinc/34/41/66/661344166.db2.gz CUKDJLQHMUALOK-ZETCQYMHSA-N 1 0 388.165 2.572 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842701768 661349934 /nfs/dbraw/zinc/34/99/34/661349934.db2.gz XTMXMKUFZPSOBV-UHFFFAOYSA-N 1 0 383.857 2.536 20 5 GFBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842861323 661357777 /nfs/dbraw/zinc/35/77/77/661357777.db2.gz RVZCVTMTBCBMNU-UHFFFAOYSA-N 1 0 375.878 2.778 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000842895421 661359327 /nfs/dbraw/zinc/35/93/27/661359327.db2.gz ZUGTYKVRDFDZJA-STQMWFEESA-N 1 0 387.889 2.567 20 5 GFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000846678878 661561767 /nfs/dbraw/zinc/56/17/67/661561767.db2.gz FTECJVGIVFTVSU-UHFFFAOYSA-N 1 0 386.221 2.840 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848508319 661658502 /nfs/dbraw/zinc/65/85/02/661658502.db2.gz KWELFCUJPVAIHJ-STQMWFEESA-N 1 0 387.889 2.852 20 5 GFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855899946 662011932 /nfs/dbraw/zinc/01/19/32/662011932.db2.gz YIGPTXUJZKWAPQ-LLVKDONJSA-N 1 0 385.262 2.603 20 5 GFBDRO C[NH+](C)CC1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865790749 662443694 /nfs/dbraw/zinc/44/36/94/662443694.db2.gz LVDUUUHFHVIRBM-UHFFFAOYSA-N 1 0 384.274 2.700 20 5 GFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000870573770 662695004 /nfs/dbraw/zinc/69/50/04/662695004.db2.gz QQWPQUCKTWLINF-UHFFFAOYSA-N 1 0 385.262 2.699 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872151147 662756822 /nfs/dbraw/zinc/75/68/22/662756822.db2.gz IOWSIIKVFSNNIY-UWVGGRQHSA-N 1 0 382.180 2.926 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3cccc(Br)c3)C2)c1 ZINC000877498814 662877271 /nfs/dbraw/zinc/87/72/71/662877271.db2.gz VBQARDAPOXIENN-PIMMBPRGSA-N 1 0 381.230 2.581 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879022969 662913621 /nfs/dbraw/zinc/91/36/21/662913621.db2.gz DPLLBOPGMIFXGJ-MFKMUULPSA-N 1 0 383.246 2.915 20 5 GFBDRO Cc1c(Br)c(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000882725868 663038543 /nfs/dbraw/zinc/03/85/43/663038543.db2.gz CYAVCIIRIZGYHB-ZDUSSCGKSA-N 1 0 399.289 2.798 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812361 720072845 /nfs/dbraw/zinc/07/28/45/720072845.db2.gz QTLXWXKJYGYBCP-RDTXWAMCSA-N 1 0 380.876 2.828 20 5 GFBDRO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2c1 ZINC001164722156 720344753 /nfs/dbraw/zinc/34/47/53/720344753.db2.gz FGXNCFKWYLONHQ-RBUKOAKNSA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c21 ZINC001164726190 720471818 /nfs/dbraw/zinc/47/18/18/720471818.db2.gz KQBFAENIGMBVGN-IAGOWNOFSA-N 1 0 376.420 2.786 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164769088 721123145 /nfs/dbraw/zinc/12/31/45/721123145.db2.gz PMNGVOHTODHWKW-DLBZAZTESA-N 1 0 392.463 2.835 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164769095 721123484 /nfs/dbraw/zinc/12/34/84/721123484.db2.gz PMNGVOHTODHWKW-SJORKVTESA-N 1 0 392.463 2.835 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164952562 722015031 /nfs/dbraw/zinc/01/50/31/722015031.db2.gz NQKJWSPYUKCHGR-UHFFFAOYSA-N 1 0 398.423 2.786 20 5 GFBDRO Cc1cc(S(=O)(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000359869882 206266270 /nfs/dbraw/zinc/26/62/70/206266270.db2.gz LZQLKLJYAIUDIZ-UHFFFAOYSA-N 1 0 390.465 2.588 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173665504 552091087 /nfs/dbraw/zinc/09/10/87/552091087.db2.gz OPESJXSWRRTPHM-CYBMUJFWSA-N 1 0 375.878 2.743 20 5 GFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)c(Cl)cc1Cl ZINC000174662276 552108102 /nfs/dbraw/zinc/10/81/02/552108102.db2.gz GIBXOADXEZGJNY-PSASIEDQSA-N 1 0 377.203 2.949 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237602340 553080056 /nfs/dbraw/zinc/08/00/56/553080056.db2.gz PHCZRULGFSRVSZ-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246183107 553103889 /nfs/dbraw/zinc/10/38/89/553103889.db2.gz NLZCDYLQYYRBJR-AAEUAGOBSA-N 1 0 375.878 2.599 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248142517 553127943 /nfs/dbraw/zinc/12/79/43/553127943.db2.gz PUUPAJKRMHBPCW-XJKSGUPXSA-N 1 0 396.285 2.843 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC2(CC[NH2+]C2)CC1 ZINC000261868025 553161796 /nfs/dbraw/zinc/16/17/96/553161796.db2.gz SANZFMSKLMVWDZ-UHFFFAOYSA-N 1 0 386.221 2.712 20 5 GFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000278567334 563261739 /nfs/dbraw/zinc/26/17/39/563261739.db2.gz RDXJARZOTWQNEJ-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420481557 563265822 /nfs/dbraw/zinc/26/58/22/563265822.db2.gz RJCIMLNLYYCUSG-RKDXNWHRSA-N 1 0 382.269 2.507 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000373935359 563355546 /nfs/dbraw/zinc/35/55/46/563355546.db2.gz CYTKKADAJQSEKS-UHFFFAOYSA-N 1 0 391.852 2.636 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423974461 563366140 /nfs/dbraw/zinc/36/61/40/563366140.db2.gz NMLGDUBCQGMMQP-ABAIWWIYSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000374297710 563367591 /nfs/dbraw/zinc/36/75/91/563367591.db2.gz SXIBPMIAIPUTFJ-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000425411702 563421751 /nfs/dbraw/zinc/42/17/51/563421751.db2.gz YJPBFTRVSSJDGI-AWEZNQCLSA-N 1 0 398.301 2.902 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000376116300 563430894 /nfs/dbraw/zinc/43/08/94/563430894.db2.gz QCUXICRNSNCEGC-ZJUUUORDSA-N 1 0 388.287 2.975 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@@H]21 ZINC000376729792 563452016 /nfs/dbraw/zinc/45/20/16/563452016.db2.gz STWQBZUJRSBWNJ-ZANVPECISA-N 1 0 386.221 2.663 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000325141027 563453725 /nfs/dbraw/zinc/45/37/25/563453725.db2.gz ZXXPBJRVMDWKAI-MRXNPFEDSA-N 1 0 395.253 2.929 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000378004238 563493189 /nfs/dbraw/zinc/49/31/89/563493189.db2.gz LYGBTYFRUGYFPL-CYBMUJFWSA-N 1 0 387.889 2.567 20 5 GFBDRO CC[NH+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000331356653 563547181 /nfs/dbraw/zinc/54/71/81/563547181.db2.gz SENCRHBRBNHWRS-VXGBXAGGSA-N 1 0 399.289 2.710 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431021003 563551549 /nfs/dbraw/zinc/55/15/49/563551549.db2.gz GVVNWSVZKDBZJD-UHFFFAOYSA-N 1 0 394.280 2.666 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000286496514 563562455 /nfs/dbraw/zinc/56/24/55/563562455.db2.gz MCMNCEONDFIDPJ-IRXDYDNUSA-N 1 0 395.253 2.888 20 5 GFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289991631 563693573 /nfs/dbraw/zinc/69/35/73/563693573.db2.gz VWFVEVCLPFQMJC-GHMZBOCLSA-N 1 0 391.852 2.635 20 5 GFBDRO Cc1c(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000415648435 563789887 /nfs/dbraw/zinc/78/98/87/563789887.db2.gz BXCMEXQFJTZCFX-NSHDSACASA-N 1 0 393.188 2.784 20 5 GFBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416393464 563822653 /nfs/dbraw/zinc/82/26/53/563822653.db2.gz VHPIIJMGUJVYPW-JTQLQIEISA-N 1 0 383.392 2.622 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000537992314 564179316 /nfs/dbraw/zinc/17/93/16/564179316.db2.gz YPMVFGUSWQTPFM-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512779327 564410779 /nfs/dbraw/zinc/41/07/79/564410779.db2.gz PMQUBLLJBHNAQY-VXGBXAGGSA-N 1 0 375.516 2.691 20 5 GFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000513022123 564418093 /nfs/dbraw/zinc/41/80/93/564418093.db2.gz PJTBQDBNFRGQFD-UHFFFAOYSA-N 1 0 391.172 2.945 20 5 GFBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622019 564460467 /nfs/dbraw/zinc/46/04/67/564460467.db2.gz ANZDOOWGKLYPEB-ZANVPECISA-N 1 0 376.194 2.857 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCSC1 ZINC000480380687 564470158 /nfs/dbraw/zinc/47/01/58/564470158.db2.gz ZDTZKOFWBHUNOV-AWEZNQCLSA-N 1 0 388.287 2.524 20 5 GFBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570042580 564488463 /nfs/dbraw/zinc/48/84/63/564488463.db2.gz CBQQTJXSMYUHKM-LLVKDONJSA-N 1 0 383.392 2.608 20 5 GFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000547792907 564511475 /nfs/dbraw/zinc/51/14/75/564511475.db2.gz LWLPKFXEQSMFEQ-QWHCGFSZSA-N 1 0 387.303 2.768 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000573841047 564655926 /nfs/dbraw/zinc/65/59/26/564655926.db2.gz GAVVUCULAXMYBZ-VXGBXAGGSA-N 1 0 382.258 2.819 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000487103177 564676621 /nfs/dbraw/zinc/67/66/21/564676621.db2.gz MFNFNAXAHYHGOJ-NWDGAFQWSA-N 1 0 375.878 2.708 20 5 GFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000524264936 564679256 /nfs/dbraw/zinc/67/92/56/564679256.db2.gz JJOKWIAXAFGSOF-AWEZNQCLSA-N 1 0 399.289 2.712 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000554936128 564778238 /nfs/dbraw/zinc/77/82/38/564778238.db2.gz NYBVYVOBQAVOBJ-FZMZJTMJSA-N 1 0 390.221 2.792 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000584543632 565086693 /nfs/dbraw/zinc/08/66/93/565086693.db2.gz SLHHHULFKYLXTN-LBPRGKRZSA-N 1 0 382.258 2.974 20 5 GFBDRO C[NH+]1CCC2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000590547750 565191701 /nfs/dbraw/zinc/19/17/01/565191701.db2.gz AJXCKIMHFWPENA-UHFFFAOYSA-N 1 0 396.285 2.844 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596267180 565517630 /nfs/dbraw/zinc/51/76/30/565517630.db2.gz YIRWTPOLPXINAM-UHFFFAOYSA-N 1 0 384.274 2.688 20 5 GFBDRO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000597667609 565569440 /nfs/dbraw/zinc/56/94/40/565569440.db2.gz SJHQYUUQVXGNRB-UHFFFAOYSA-N 1 0 382.258 2.915 20 5 GFBDRO Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000599683896 565696469 /nfs/dbraw/zinc/69/64/69/565696469.db2.gz XDSSJXYDAJUJBP-WCQYABFASA-N 1 0 383.202 2.669 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(Cc1cc(Br)c([N+](=O)[O-])s1)CCO2 ZINC000602703972 565863362 /nfs/dbraw/zinc/86/33/62/565863362.db2.gz UPXYRJXLCUXSMF-UHFFFAOYSA-N 1 0 390.303 2.715 20 5 GFBDRO COC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602705435 565863834 /nfs/dbraw/zinc/86/38/34/565863834.db2.gz FUYRPLAPGWBHBV-LBPRGKRZSA-N 1 0 379.276 2.950 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000603975908 565920795 /nfs/dbraw/zinc/92/07/95/565920795.db2.gz NRTNRWZCPJRMGR-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO CC(C)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261385 607552770 /nfs/dbraw/zinc/55/27/70/607552770.db2.gz JFIGLFGCZLPBLX-IBGZPJMESA-N 1 0 396.451 2.967 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822228941 606417215 /nfs/dbraw/zinc/41/72/15/606417215.db2.gz IZODWYHBLBJOPW-STQMWFEESA-N 1 0 395.423 2.761 20 5 GFBDRO CC[NH+](CC)Cc1ccccc1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821198741 607164324 /nfs/dbraw/zinc/16/43/24/607164324.db2.gz VDAVOOYNDGOPRT-UHFFFAOYSA-N 1 0 382.428 2.624 20 5 GFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825144107 608552018 /nfs/dbraw/zinc/55/20/18/608552018.db2.gz YNXDXDNEMLBBMX-KRWDZBQOSA-N 1 0 395.423 2.844 20 5 GFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825140506 608552050 /nfs/dbraw/zinc/55/20/50/608552050.db2.gz KFABDHBOCFPWCO-KRWDZBQOSA-N 1 0 395.423 2.844 20 5 GFBDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824584453 608563707 /nfs/dbraw/zinc/56/37/07/608563707.db2.gz AVGXQQYSGVAZBC-SNVBAGLBSA-N 1 0 387.425 2.516 20 5 GFBDRO C[NH+](C)CC1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000822789227 660354624 /nfs/dbraw/zinc/35/46/24/660354624.db2.gz VNVRPQFSFVRTNX-UHFFFAOYSA-N 1 0 382.258 2.584 20 5 GFBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000124822228 654781928 /nfs/dbraw/zinc/78/19/28/654781928.db2.gz WGWVXQVTQNIDBP-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1Br ZINC000839456231 661085168 /nfs/dbraw/zinc/08/51/68/661085168.db2.gz LNZCWQSWHRKDHH-CQSZACIVSA-N 1 0 384.274 2.654 20 5 GFBDRO CN1CCC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)C1=O ZINC000839582926 661093787 /nfs/dbraw/zinc/09/37/87/661093787.db2.gz XOFFJCJBRBTVNE-UHFFFAOYSA-N 1 0 382.258 2.802 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176736204 655254245 /nfs/dbraw/zinc/25/42/45/655254245.db2.gz HTVUFCVXCIHLBD-NEPJUHHUSA-N 1 0 375.878 2.708 20 5 GFBDRO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000575812297 655437733 /nfs/dbraw/zinc/43/77/33/655437733.db2.gz KSQLVDAFWBIWTJ-UHFFFAOYSA-N 1 0 386.290 2.682 20 5 GFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730815623 655578738 /nfs/dbraw/zinc/57/87/38/655578738.db2.gz ZURRKMIBVBUFQN-TXEJJXNPSA-N 1 0 375.878 2.789 20 5 GFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730815620 655578752 /nfs/dbraw/zinc/57/87/52/655578752.db2.gz ZURRKMIBVBUFQN-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000734850718 655635609 /nfs/dbraw/zinc/63/56/09/655635609.db2.gz NPFYQOFEWODRSO-AWEZNQCLSA-N 1 0 377.894 2.893 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841161457 661240362 /nfs/dbraw/zinc/24/03/62/661240362.db2.gz KXQDLRKVOPHKOD-HNNXBMFYSA-N 1 0 383.246 2.965 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768845138 656255556 /nfs/dbraw/zinc/25/55/56/656255556.db2.gz ZNSOYPCVOJMCNT-CQSZACIVSA-N 1 0 381.479 2.551 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795877030 658865515 /nfs/dbraw/zinc/86/55/15/658865515.db2.gz VPAUKZAHGNMOSG-UWVGGRQHSA-N 1 0 379.841 2.538 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164284 659077247 /nfs/dbraw/zinc/07/72/47/659077247.db2.gz JFDJYLNKDMQHMW-GHMZBOCLSA-N 1 0 385.262 2.603 20 5 GFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820650 659942722 /nfs/dbraw/zinc/94/27/22/659942722.db2.gz FHFFDENOUDXHMM-NSHDSACASA-N 1 0 393.868 2.882 20 5 GFBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809822344 659943328 /nfs/dbraw/zinc/94/33/28/659943328.db2.gz IEYZQTNOICNQDN-SECBINFHSA-N 1 0 382.269 2.522 20 5 GFBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809967444 659953968 /nfs/dbraw/zinc/95/39/68/659953968.db2.gz BBBISRQNHSKSGO-UHFFFAOYSA-N 1 0 375.300 2.971 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000814988705 660100038 /nfs/dbraw/zinc/10/00/38/660100038.db2.gz SPXVPPDUXHGTID-GHMZBOCLSA-N 1 0 393.868 2.786 20 5 GFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045755 660106686 /nfs/dbraw/zinc/10/66/86/660106686.db2.gz WGSIKDDIKRZBGL-MFKMUULPSA-N 1 0 391.852 2.635 20 5 GFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045754 660106701 /nfs/dbraw/zinc/10/67/01/660106701.db2.gz WGSIKDDIKRZBGL-GXFFZTMASA-N 1 0 391.852 2.635 20 5 GFBDRO CCCC[C@H](C[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841956732 661318443 /nfs/dbraw/zinc/31/84/43/661318443.db2.gz BEHUERXEFLQZBV-LLVKDONJSA-N 1 0 399.289 2.943 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000842484274 661341589 /nfs/dbraw/zinc/34/15/89/661341589.db2.gz ZKECGAZFQWPYTE-UONOGXRCSA-N 1 0 387.889 2.852 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000842484157 661341635 /nfs/dbraw/zinc/34/16/35/661341635.db2.gz FMJGCPDVLNBFCI-LBPRGKRZSA-N 1 0 381.841 2.635 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000846039036 661526464 /nfs/dbraw/zinc/52/64/64/661526464.db2.gz RVOVHHTZDJEKHX-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849411205 661718151 /nfs/dbraw/zinc/71/81/51/661718151.db2.gz AUCGWAXXDYZYHS-SNVBAGLBSA-N 1 0 393.868 2.786 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)C1 ZINC000856730142 662039344 /nfs/dbraw/zinc/03/93/44/662039344.db2.gz IFRMWVIJZBSCKT-CYBMUJFWSA-N 1 0 383.290 2.574 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)C1 ZINC000856730143 662039458 /nfs/dbraw/zinc/03/94/58/662039458.db2.gz IFRMWVIJZBSCKT-ZDUSSCGKSA-N 1 0 383.290 2.574 20 5 GFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309053 662541129 /nfs/dbraw/zinc/54/11/29/662541129.db2.gz PZNWAIRIMJZNGJ-WPRPVWTQSA-N 1 0 382.269 2.615 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877355784 662874164 /nfs/dbraw/zinc/87/41/64/662874164.db2.gz CDHXJAPYBXUORV-BDAKNGLRSA-N 1 0 383.729 2.525 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)o2)c(Br)c1 ZINC000877748733 662882902 /nfs/dbraw/zinc/88/29/02/662882902.db2.gz KVGKQTUBAFPRFE-CABCVRRESA-N 1 0 397.225 2.545 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000878709377 662903366 /nfs/dbraw/zinc/90/33/66/662903366.db2.gz LLXYCPLXOJPPTH-AWEZNQCLSA-N 1 0 383.246 2.528 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221426 662955524 /nfs/dbraw/zinc/95/55/24/662955524.db2.gz HFAPRIMSHDHTPX-FZNQNYSPSA-N 1 0 395.257 2.502 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000900641187 663718634 /nfs/dbraw/zinc/71/86/34/663718634.db2.gz NGMNFWFKZJVJTB-LLVKDONJSA-N 1 0 380.246 2.539 20 5 GFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@]2(C)C1 ZINC000913281637 664331400 /nfs/dbraw/zinc/33/14/00/664331400.db2.gz BHDIEOPJAWPWBX-IYBDPMFKSA-N 1 0 382.258 2.771 20 5 GFBDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000919110480 664508421 /nfs/dbraw/zinc/50/84/21/664508421.db2.gz BXNXEWRZHYRZNJ-UHFFFAOYSA-N 1 0 393.241 2.744 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc([N+](=O)[O-])cc(Cl)n3)CC2)CC1 ZINC001164615628 719021621 /nfs/dbraw/zinc/02/16/21/719021621.db2.gz JHTKWCSPPNRLNC-UHFFFAOYSA-N 1 0 396.875 2.887 20 5 GFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834720 720510165 /nfs/dbraw/zinc/51/01/65/720510165.db2.gz HGYPYJCBZJIUTL-NZSAHSFTSA-N 1 0 384.484 2.873 20 5 GFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC001164838464 720528596 /nfs/dbraw/zinc/52/85/96/720528596.db2.gz OADWRNZXEZSAKD-HFTRVMKXSA-N 1 0 388.447 2.703 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164843651 720697685 /nfs/dbraw/zinc/69/76/85/720697685.db2.gz PUEWCQATYUJRGQ-QGZVFWFLSA-N 1 0 397.479 2.832 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867501 721048154 /nfs/dbraw/zinc/04/81/54/721048154.db2.gz JHZSVLWRNZPLNL-HZPDHXFCSA-N 1 0 389.843 2.518 20 5 GFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867115 721049593 /nfs/dbraw/zinc/04/95/93/721049593.db2.gz HYQGGYWQVFCBDN-CABCVRRESA-N 1 0 389.843 2.518 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110375824 551204267 /nfs/dbraw/zinc/20/42/67/551204267.db2.gz OVVJVPSFHNUGBP-LLVKDONJSA-N 1 0 377.413 2.735 20 5 GFBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173373346 552084639 /nfs/dbraw/zinc/08/46/39/552084639.db2.gz YRGHFFYKDPYEPX-HNNXBMFYSA-N 1 0 397.273 2.526 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000173476045 552086194 /nfs/dbraw/zinc/08/61/94/552086194.db2.gz YMNCMCFXMZWAJZ-INIZCTEOSA-N 1 0 395.257 2.579 20 5 GFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000176214429 552136700 /nfs/dbraw/zinc/13/67/00/552136700.db2.gz ZUPJHXXYXYKPDG-UHFFFAOYSA-N 1 0 395.257 2.849 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728160 552145226 /nfs/dbraw/zinc/14/52/26/552145226.db2.gz DVBIUDWDYCSKQO-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176727977 552145307 /nfs/dbraw/zinc/14/53/07/552145307.db2.gz CMPILVRBIXHKPV-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176792669 552145917 /nfs/dbraw/zinc/14/59/17/552145917.db2.gz RQOZTHVXBNTIGL-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(C)s1 ZINC000183612858 552314789 /nfs/dbraw/zinc/31/47/89/552314789.db2.gz NSXLZNFVBMGCPC-UHFFFAOYSA-N 1 0 383.495 2.650 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000191368033 552526350 /nfs/dbraw/zinc/52/63/50/552526350.db2.gz HWHYTCAHPSVLMV-JTQLQIEISA-N 1 0 389.886 2.939 20 5 GFBDRO [NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237995897 553084445 /nfs/dbraw/zinc/08/44/45/553084445.db2.gz MJOFJJHZDBZOOM-KCJUWKMLSA-N 1 0 382.269 2.697 20 5 GFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261892655 553162268 /nfs/dbraw/zinc/16/22/68/553162268.db2.gz NWNIHPHPSQCEAF-QWRGUYRKSA-N 1 0 377.242 2.951 20 5 GFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568615090 564426556 /nfs/dbraw/zinc/42/65/56/564426556.db2.gz YGVFOINHMPRPKN-JDGPPOGSSA-N 1 0 376.194 2.616 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369538663 563216676 /nfs/dbraw/zinc/21/66/76/563216676.db2.gz DMFWFSAWDWGKIQ-HZMBPMFUSA-N 1 0 387.508 2.689 20 5 GFBDRO CN1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000295200323 563234941 /nfs/dbraw/zinc/23/49/41/563234941.db2.gz SKQPYNRFKVCPKT-BXKDBHETSA-N 1 0 394.280 2.616 20 5 GFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000278200070 563245061 /nfs/dbraw/zinc/24/50/61/563245061.db2.gz IUDBILKFORBMTR-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295484776 563250501 /nfs/dbraw/zinc/25/05/01/563250501.db2.gz CJJCUEABFCDXDO-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420748545 563282742 /nfs/dbraw/zinc/28/27/42/563282742.db2.gz QLGUYMZWHLKWRT-UHFFFAOYSA-N 1 0 375.878 2.708 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000373940277 563356313 /nfs/dbraw/zinc/35/63/13/563356313.db2.gz USCVQUPTRMRWFL-UHFFFAOYSA-N 1 0 391.852 2.636 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423974465 563366180 /nfs/dbraw/zinc/36/61/80/563366180.db2.gz NMLGDUBCQGMMQP-XHDPSFHLSA-N 1 0 382.258 2.962 20 5 GFBDRO C[NH2+]CCCN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000424030441 563367713 /nfs/dbraw/zinc/36/77/13/563367713.db2.gz HAIJRRZBZGPMPN-UHFFFAOYSA-N 1 0 386.239 2.769 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c(Cl)c1 ZINC000374612848 563377877 /nfs/dbraw/zinc/37/78/77/563377877.db2.gz NGODNXZLCSIPPM-UHFFFAOYSA-N 1 0 387.889 2.685 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000282108148 563398322 /nfs/dbraw/zinc/39/83/22/563398322.db2.gz PSZCXVQFLQXXSD-AWEZNQCLSA-N 1 0 394.225 2.632 20 5 GFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376401834 563441096 /nfs/dbraw/zinc/44/10/96/563441096.db2.gz DPHKJAOXHOZSLZ-NNQSOWQGSA-N 1 0 396.285 2.983 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284668006 563485654 /nfs/dbraw/zinc/48/56/54/563485654.db2.gz GTOMUTXHOBWAKS-INIZCTEOSA-N 1 0 393.241 2.655 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000378023247 563493936 /nfs/dbraw/zinc/49/39/36/563493936.db2.gz LHGFPLMTWIWHKS-ZDUSSCGKSA-N 1 0 387.889 2.567 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378061278 563495241 /nfs/dbraw/zinc/49/52/41/563495241.db2.gz SUWXWFMXIYXUMG-ZDUSSCGKSA-N 1 0 387.889 2.567 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000440088334 563736580 /nfs/dbraw/zinc/73/65/80/563736580.db2.gz NOZKEJJNTDQSAM-GFCCVEGCSA-N 1 0 375.878 2.708 20 5 GFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363927012 563736975 /nfs/dbraw/zinc/73/69/75/563736975.db2.gz ZVZSDSVPVXBZLY-OAHLLOKOSA-N 1 0 397.317 2.962 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000415710492 563792781 /nfs/dbraw/zinc/79/27/81/563792781.db2.gz ZFNQCSCSCNCNBS-CUOATXAZSA-N 1 0 383.246 2.948 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415709968 563792793 /nfs/dbraw/zinc/79/27/93/563792793.db2.gz YTHLWHSRNSQUFR-CKYFFXLPSA-N 1 0 383.246 2.867 20 5 GFBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416393465 563822509 /nfs/dbraw/zinc/82/25/09/563822509.db2.gz VHPIIJMGUJVYPW-SNVBAGLBSA-N 1 0 383.392 2.622 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367885593 563858485 /nfs/dbraw/zinc/85/84/85/563858485.db2.gz MFZRDXJXOMUINN-SWLSCSKDSA-N 1 0 387.889 2.709 20 5 GFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447931729 563891318 /nfs/dbraw/zinc/89/13/18/563891318.db2.gz OYFLFLCNIUGKEK-AWEZNQCLSA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000449577671 564191290 /nfs/dbraw/zinc/19/12/90/564191290.db2.gz GUTRQDVEISBWOM-RISCZKNCSA-N 1 0 390.221 2.840 20 5 GFBDRO Cc1c(Br)c(N2CCC(OCC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000542506369 564316063 /nfs/dbraw/zinc/31/60/63/564316063.db2.gz RPYHSDDGOAJGFA-UHFFFAOYSA-N 1 0 387.278 2.608 20 5 GFBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000543504816 564353427 /nfs/dbraw/zinc/35/34/27/564353427.db2.gz RHLJTPXEUAKEQQ-QWRGUYRKSA-N 1 0 386.246 2.701 20 5 GFBDRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000544724692 564396160 /nfs/dbraw/zinc/39/61/60/564396160.db2.gz BUAAPTKUCCUNFX-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)cs2)c1 ZINC000571301740 564545767 /nfs/dbraw/zinc/54/57/67/564545767.db2.gz RDRCLRXYTKPNPA-LBPRGKRZSA-N 1 0 387.255 2.948 20 5 GFBDRO CCN(CCC[NH+](C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000519041218 564568565 /nfs/dbraw/zinc/56/85/65/564568565.db2.gz GREBZVQENBGMMD-UHFFFAOYSA-N 1 0 391.253 2.973 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520134609 564597796 /nfs/dbraw/zinc/59/77/96/564597796.db2.gz KKERLWXQDLASPE-GFCCVEGCSA-N 1 0 389.905 2.955 20 5 GFBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000520665696 564610006 /nfs/dbraw/zinc/61/00/06/564610006.db2.gz ZYDXJYCAGQSIHE-CYBMUJFWSA-N 1 0 378.210 2.696 20 5 GFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000456538235 564616775 /nfs/dbraw/zinc/61/67/75/564616775.db2.gz XEUBKKOXXDLGBG-GFCCVEGCSA-N 1 0 384.274 2.843 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2sccc2Br)c1 ZINC000521612225 564631045 /nfs/dbraw/zinc/63/10/45/564631045.db2.gz LLMSGJHKVAAXBS-LLVKDONJSA-N 1 0 387.255 2.948 20 5 GFBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000554913340 564777120 /nfs/dbraw/zinc/77/71/20/564777120.db2.gz WDONMELHEDQKLS-JTQLQIEISA-N 1 0 383.392 2.621 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000581423935 564801506 /nfs/dbraw/zinc/80/15/06/564801506.db2.gz ZZJBAWRRPLGVLF-LLVKDONJSA-N 1 0 387.889 2.709 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000562047495 565016247 /nfs/dbraw/zinc/01/62/47/565016247.db2.gz QLMSSBXLLMOSLJ-LBPRGKRZSA-N 1 0 376.194 2.810 20 5 GFBDRO CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584464665 565081097 /nfs/dbraw/zinc/08/10/97/565081097.db2.gz CSVSUGKUIHSHSS-HIFRSBDPSA-N 1 0 397.273 2.526 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592256084 565264813 /nfs/dbraw/zinc/26/48/13/565264813.db2.gz XKXYYIDZIOQQEX-NEPJUHHUSA-N 1 0 382.258 2.819 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595113044 565449143 /nfs/dbraw/zinc/44/91/43/565449143.db2.gz JZYFOEVFFIFLFQ-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000601502115 565788562 /nfs/dbraw/zinc/78/85/62/565788562.db2.gz KQLKOWVAQCIQEV-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000603975575 565920914 /nfs/dbraw/zinc/92/09/14/565920914.db2.gz BKBLFVRRLYZZNZ-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738368971 598945271 /nfs/dbraw/zinc/94/52/71/598945271.db2.gz GSLHHFCDKRZCIT-MRXNPFEDSA-N 1 0 379.424 2.851 20 5 GFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820727451 599109922 /nfs/dbraw/zinc/10/99/22/599109922.db2.gz MBAZORAFODWXFM-OAHLLOKOSA-N 1 0 393.451 2.876 20 5 GFBDRO CCC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736481823 599258015 /nfs/dbraw/zinc/25/80/15/599258015.db2.gz ZEFXJQVAJHNYDA-UHFFFAOYSA-N 1 0 382.428 2.609 20 5 GFBDRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293137 607552524 /nfs/dbraw/zinc/55/25/24/607552524.db2.gz GDAPURINONDRPI-GOSISDBHSA-N 1 0 382.424 2.719 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822228938 606417394 /nfs/dbraw/zinc/41/73/94/606417394.db2.gz IZODWYHBLBJOPW-CHWSQXEVSA-N 1 0 395.423 2.761 20 5 GFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920070 606621483 /nfs/dbraw/zinc/62/14/83/606621483.db2.gz KARTWENAPSRQIN-SJKOYZFVSA-N 1 0 395.423 2.843 20 5 GFBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825631943 608281807 /nfs/dbraw/zinc/28/18/07/608281807.db2.gz JLEITTLPTIHNCC-CYBMUJFWSA-N 1 0 398.423 2.903 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499341 608466676 /nfs/dbraw/zinc/46/66/76/608466676.db2.gz FFQMUESDQSPHNQ-IBGZPJMESA-N 1 0 392.419 2.598 20 5 GFBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000826241397 608490078 /nfs/dbraw/zinc/49/00/78/608490078.db2.gz BVYIUEGEPNTIDY-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO O=[N+]([O-])c1ccc2c(I)nn(CC[C@@H]3CC[NH2+]C3)c2c1 ZINC000818620107 660230280 /nfs/dbraw/zinc/23/02/80/660230280.db2.gz RAXQAACQUCPTTR-VIFPVBQESA-N 1 0 386.193 2.549 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000819275118 660253319 /nfs/dbraw/zinc/25/33/19/660253319.db2.gz REBMYGDINNSZKZ-OAHLLOKOSA-N 1 0 383.246 2.657 20 5 GFBDRO C[C@]1(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819350573 660256137 /nfs/dbraw/zinc/25/61/37/660256137.db2.gz POROLJNWIIGDAW-ZDUSSCGKSA-N 1 0 381.281 2.932 20 5 GFBDRO CC[N@H+](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000831190745 660702777 /nfs/dbraw/zinc/70/27/77/660702777.db2.gz IJHGHODCKIYVKN-UHFFFAOYSA-N 1 0 384.285 2.910 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000124564627 654778699 /nfs/dbraw/zinc/77/86/99/654778699.db2.gz DQDPTXXNXFEBGJ-UHFFFAOYSA-N 1 0 382.829 2.597 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066000604 654892303 /nfs/dbraw/zinc/89/23/03/654892303.db2.gz MEABBCTXSNDARG-BETUJISGSA-N 1 0 375.516 2.693 20 5 GFBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000067717080 654943375 /nfs/dbraw/zinc/94/33/75/654943375.db2.gz XZMJIXOEBDJAKG-UHFFFAOYSA-N 1 0 387.889 2.886 20 5 GFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@@H+]1C1CC1 ZINC000267908111 654951486 /nfs/dbraw/zinc/95/14/86/654951486.db2.gz BYMHPGWUOFEGAR-PSASIEDQSA-N 1 0 386.221 2.851 20 5 GFBDRO C[NH+]1CCC(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267919000 654952070 /nfs/dbraw/zinc/95/20/70/654952070.db2.gz IMPARNLLPPPHOG-UHFFFAOYSA-N 1 0 388.237 2.958 20 5 GFBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268003282 654955476 /nfs/dbraw/zinc/95/54/76/654955476.db2.gz DPCHPNPRXGYJQG-SNVBAGLBSA-N 1 0 381.376 2.559 20 5 GFBDRO C[NH+](C)CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000134478237 654994073 /nfs/dbraw/zinc/99/40/73/654994073.db2.gz ADRKGRNUYPCUKO-UHFFFAOYSA-N 1 0 386.239 2.769 20 5 GFBDRO O=[N+]([O-])c1cncc(Br)c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000270947887 655061047 /nfs/dbraw/zinc/06/10/47/655061047.db2.gz LEYLQMTXXWWLLL-UHFFFAOYSA-N 1 0 399.289 2.834 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000104103115 655078767 /nfs/dbraw/zinc/07/87/67/655078767.db2.gz HTOJXRJZGFKUTR-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272533616 655115798 /nfs/dbraw/zinc/11/57/98/655115798.db2.gz RBJZRYWIPOYISU-NHYWBVRUSA-N 1 0 382.258 2.832 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707951 655124203 /nfs/dbraw/zinc/12/42/03/655124203.db2.gz IKWIABFZYUTVHY-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000177999705 655294688 /nfs/dbraw/zinc/29/46/88/655294688.db2.gz ASTOWRREKHNBEN-LBPRGKRZSA-N 1 0 383.495 2.902 20 5 GFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119387196 655301900 /nfs/dbraw/zinc/30/19/00/655301900.db2.gz JIYNHIUVZZKROZ-UHFFFAOYSA-N 1 0 377.894 2.991 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119585148 655307920 /nfs/dbraw/zinc/30/79/20/655307920.db2.gz XRWGVVAHPUMQLA-BETUJISGSA-N 1 0 375.516 2.693 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246158286 655429315 /nfs/dbraw/zinc/42/93/15/655429315.db2.gz AAJJBLZEGCXFJA-NWDGAFQWSA-N 1 0 375.878 2.660 20 5 GFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000575992225 655441792 /nfs/dbraw/zinc/44/17/92/655441792.db2.gz VHWBLLHBPPBZEN-UHFFFAOYSA-N 1 0 383.857 2.570 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000725822968 655526960 /nfs/dbraw/zinc/52/69/60/655526960.db2.gz PEBJIOMRKSZKIW-NEPJUHHUSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000727826920 655549880 /nfs/dbraw/zinc/54/98/80/655549880.db2.gz KLPOIFIMZYZWKJ-SECBINFHSA-N 1 0 381.376 2.783 20 5 GFBDRO C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000731978945 655590404 /nfs/dbraw/zinc/59/04/04/655590404.db2.gz DDRPEMVPMOEJDK-NSHDSACASA-N 1 0 377.413 2.735 20 5 GFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746053055 655757938 /nfs/dbraw/zinc/75/79/38/655757938.db2.gz GRKBXDKMVVCTCV-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO CC[C@@H](CN1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000751227812 655823263 /nfs/dbraw/zinc/82/32/63/655823263.db2.gz LCTSJVWSXAOMPW-NSHDSACASA-N 1 0 377.413 2.877 20 5 GFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755009638 655878446 /nfs/dbraw/zinc/87/84/46/655878446.db2.gz VEUWRUPDWFWCDF-SECBINFHSA-N 1 0 376.226 2.957 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000769907822 656299858 /nfs/dbraw/zinc/29/98/58/656299858.db2.gz MSFTZTDFARBSNW-LLVKDONJSA-N 1 0 377.894 2.811 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000769909904 656300010 /nfs/dbraw/zinc/30/00/10/656300010.db2.gz XQDFFMBBNCHJGC-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000778001206 656850760 /nfs/dbraw/zinc/85/07/60/656850760.db2.gz QKKNHTRQOBPTOM-OAHLLOKOSA-N 1 0 375.466 2.687 20 5 GFBDRO C[NH+]1CCC(NC(=S)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000782389374 657137671 /nfs/dbraw/zinc/13/76/71/657137671.db2.gz WKLYSRARSGINMW-UHFFFAOYSA-N 1 0 376.404 2.672 20 5 GFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161568 659077277 /nfs/dbraw/zinc/07/72/77/659077277.db2.gz BUADHIPXYKIFBF-LBPRGKRZSA-N 1 0 399.289 2.994 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000809808385 659940131 /nfs/dbraw/zinc/94/01/31/659940131.db2.gz QZNUFCQXMXBGBM-MNOVXSKESA-N 1 0 393.868 2.929 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809442 659940623 /nfs/dbraw/zinc/94/06/23/659940623.db2.gz XZCAIRDUTPZTLI-NEPJUHHUSA-N 1 0 394.280 2.807 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809820033 659942589 /nfs/dbraw/zinc/94/25/89/659942589.db2.gz LESHDNDHRMZOCH-GHMZBOCLSA-N 1 0 393.868 2.881 20 5 GFBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809822345 659943266 /nfs/dbraw/zinc/94/32/66/659943266.db2.gz IEYZQTNOICNQDN-VIFPVBQESA-N 1 0 382.269 2.522 20 5 GFBDRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000809973188 659954154 /nfs/dbraw/zinc/95/41/54/659954154.db2.gz VBRLJNLHRCPRLA-NSHDSACASA-N 1 0 390.267 2.971 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCCCCO)c1 ZINC000810151907 659965072 /nfs/dbraw/zinc/96/50/72/659965072.db2.gz PTHRBOILYLADPX-UHFFFAOYSA-N 1 0 378.210 2.842 20 5 GFBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841571275 661305234 /nfs/dbraw/zinc/30/52/34/661305234.db2.gz CLAVXWFXLOMEEP-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850590060 661782631 /nfs/dbraw/zinc/78/26/31/661782631.db2.gz UJQJUQBYAJSKBY-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000852036251 661850272 /nfs/dbraw/zinc/85/02/72/661850272.db2.gz VOTFOTLLENIFNY-STQMWFEESA-N 1 0 383.754 2.724 20 5 GFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839564 662838064 /nfs/dbraw/zinc/83/80/64/662838064.db2.gz WYYVOKJDUSIWGG-NEPJUHHUSA-N 1 0 386.221 2.805 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877360524 662874557 /nfs/dbraw/zinc/87/45/57/662874557.db2.gz MNCTWKMXJFJCRH-KWQFWETISA-N 1 0 396.163 2.567 20 5 GFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271966 662922124 /nfs/dbraw/zinc/92/21/24/662922124.db2.gz JQKXRZGZAMKEDD-DLBZAZTESA-N 1 0 395.253 2.888 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000882058963 663015354 /nfs/dbraw/zinc/01/53/54/663015354.db2.gz FAIQGQPECUMQMW-NSHDSACASA-N 1 0 388.237 2.655 20 5 GFBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000882768160 663041008 /nfs/dbraw/zinc/04/10/08/663041008.db2.gz SEUIKZPVKXITLM-UHFFFAOYSA-N 1 0 391.852 2.636 20 5 GFBDRO C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[NH+]2CCC1CC2 ZINC000892781201 663384407 /nfs/dbraw/zinc/38/44/07/663384407.db2.gz YRCGGPIGQPBPNR-INIZCTEOSA-N 1 0 382.258 2.500 20 5 GFBDRO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903481323 663785536 /nfs/dbraw/zinc/78/55/36/663785536.db2.gz YWSAHPRJQOCDOE-MWLCHTKSSA-N 1 0 380.246 2.802 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000923283196 664627334 /nfs/dbraw/zinc/62/73/34/664627334.db2.gz XFOATEFPWZUNMM-WDEREUQCSA-N 1 0 386.221 2.805 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000923348062 664628791 /nfs/dbraw/zinc/62/87/91/664628791.db2.gz BPFRYBZPNDPWMM-MRXNPFEDSA-N 1 0 377.242 2.899 20 5 GFBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923361720 664628907 /nfs/dbraw/zinc/62/89/07/664628907.db2.gz LPZLIDFZGFGFMM-CVEARBPZSA-N 1 0 384.274 2.686 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925763635 664674587 /nfs/dbraw/zinc/67/45/87/664674587.db2.gz SUQPIKFAIZJZCZ-RBSFLKMASA-N 1 0 384.274 2.604 20 5 GFBDRO COc1cc(C)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164859149 720955110 /nfs/dbraw/zinc/95/51/10/720955110.db2.gz KQRHHJHFITZMIA-CQSZACIVSA-N 1 0 388.472 2.925 20 5 GFBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867118 721049368 /nfs/dbraw/zinc/04/93/68/721049368.db2.gz HYQGGYWQVFCBDN-HUUCEWRRSA-N 1 0 389.843 2.518 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164766370 721108425 /nfs/dbraw/zinc/10/84/25/721108425.db2.gz KTTRFEMQVMUHEG-ROUUACIJSA-N 1 0 392.463 2.835 20 5 GFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000060843777 551184024 /nfs/dbraw/zinc/18/40/24/551184024.db2.gz CUTAIKJYRQYHGZ-BETUJISGSA-N 1 0 389.905 2.895 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152915020 551442796 /nfs/dbraw/zinc/44/27/96/551442796.db2.gz NRCFFCGFTYQHQG-WFASDCNBSA-N 1 0 387.889 2.661 20 5 GFBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000166320035 551631571 /nfs/dbraw/zinc/63/15/71/551631571.db2.gz ITVNUWXQNFBAJQ-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000175333911 552119257 /nfs/dbraw/zinc/11/92/57/552119257.db2.gz ILPCWVRWFYSMBM-ZDUSSCGKSA-N 1 0 383.495 2.845 20 5 GFBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188252182 552440291 /nfs/dbraw/zinc/44/02/91/552440291.db2.gz QJXMGYJGXPZXRL-UHFFFAOYSA-N 1 0 377.894 2.991 20 5 GFBDRO CCC[NH2+]CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000236851523 553072037 /nfs/dbraw/zinc/07/20/37/553072037.db2.gz PZOPFPQUCZXKLG-UHFFFAOYSA-N 1 0 386.239 2.817 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000237649715 553080093 /nfs/dbraw/zinc/08/00/93/553080093.db2.gz SQZWFVCWIOZETD-LBPRGKRZSA-N 1 0 378.479 2.993 20 5 GFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261892650 553162085 /nfs/dbraw/zinc/16/20/85/553162085.db2.gz NWNIHPHPSQCEAF-MNOVXSKESA-N 1 0 377.242 2.951 20 5 GFBDRO C[C@H](CCCCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000294937810 563222476 /nfs/dbraw/zinc/22/24/76/563222476.db2.gz BZIMTRXEFITZOA-SNVBAGLBSA-N 1 0 378.210 2.840 20 5 GFBDRO C[C@@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000277946426 563233657 /nfs/dbraw/zinc/23/36/57/563233657.db2.gz JGIHNSBOMOUFKN-RKDXNWHRSA-N 1 0 376.276 2.974 20 5 GFBDRO CN1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000295200326 563234843 /nfs/dbraw/zinc/23/48/43/563234843.db2.gz SKQPYNRFKVCPKT-SKDRFNHKSA-N 1 0 394.280 2.616 20 5 GFBDRO O=C([C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000420163268 563259690 /nfs/dbraw/zinc/25/96/90/563259690.db2.gz FLECOMXKNPZYER-NSHDSACASA-N 1 0 387.267 2.550 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868715 563274623 /nfs/dbraw/zinc/27/46/23/563274623.db2.gz XSCJNEFSCVERAB-NXEZZACHSA-N 1 0 388.287 2.975 20 5 GFBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000281170712 563368187 /nfs/dbraw/zinc/36/81/87/563368187.db2.gz MNEPILICQZVBBF-UHFFFAOYSA-N 1 0 393.868 2.740 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375264751 563397222 /nfs/dbraw/zinc/39/72/22/563397222.db2.gz FDWBSMSXWRFTRQ-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO O=C([C@H]1C[NH+]2CCC1CC2)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000375875740 563422002 /nfs/dbraw/zinc/42/20/02/563422002.db2.gz RTLNAYYSLJBHLJ-ZDUSSCGKSA-N 1 0 394.269 2.584 20 5 GFBDRO CN(CC[N@H+](C)C1CC1)c1ccc(I)cc1[N+](=O)[O-] ZINC000302279080 563424286 /nfs/dbraw/zinc/42/42/86/563424286.db2.gz UMTTVSFIYQZATG-UHFFFAOYSA-N 1 0 375.210 2.730 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c1 ZINC000375987424 563426288 /nfs/dbraw/zinc/42/62/88/563426288.db2.gz KATKUXZRRZYTRK-CHWSQXEVSA-N 1 0 387.889 2.709 20 5 GFBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3Br)C2)CC1 ZINC000302666357 563427527 /nfs/dbraw/zinc/42/75/27/563427527.db2.gz JNEMKRYXLBRFSO-CQSZACIVSA-N 1 0 397.317 2.882 20 5 GFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000376412190 563441080 /nfs/dbraw/zinc/44/10/80/563441080.db2.gz HDXCTLXHQIOTLU-LRDDRELGSA-N 1 0 396.285 2.985 20 5 GFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCn1cc(Br)cn1 ZINC000285631150 563530212 /nfs/dbraw/zinc/53/02/12/563530212.db2.gz KJBPLHYAQAEWLD-NSHDSACASA-N 1 0 396.245 2.561 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000285831889 563539057 /nfs/dbraw/zinc/53/90/57/563539057.db2.gz BXPHWEOOCNYYPK-LLVKDONJSA-N 1 0 393.868 2.740 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332103488 563576287 /nfs/dbraw/zinc/57/62/87/563576287.db2.gz ZAQAZGHVGLPCHJ-IUODEOHRSA-N 1 0 387.889 2.804 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363117029 563714935 /nfs/dbraw/zinc/71/49/35/563714935.db2.gz CQPGIYGLPLSJGX-SGIREYDYSA-N 1 0 394.269 2.914 20 5 GFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000290971462 563728067 /nfs/dbraw/zinc/72/80/67/563728067.db2.gz XLHHSJLXTDSPLO-LBPRGKRZSA-N 1 0 377.224 2.913 20 5 GFBDRO COCC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414887585 563753494 /nfs/dbraw/zinc/75/34/94/563753494.db2.gz QPAULRLGJWHYFP-UHFFFAOYSA-N 1 0 398.257 2.943 20 5 GFBDRO C[NH+]1CCC(CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000291741381 563756395 /nfs/dbraw/zinc/75/63/95/563756395.db2.gz YRGYHVQGYJCOGC-UHFFFAOYSA-N 1 0 396.285 2.974 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367288231 563839348 /nfs/dbraw/zinc/83/93/48/563839348.db2.gz WIXHZRFMFWVYDD-INIZCTEOSA-N 1 0 382.258 2.502 20 5 GFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000445848107 563854689 /nfs/dbraw/zinc/85/46/89/563854689.db2.gz GDJZLZDLSYYCEV-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)cc1Cl ZINC000368143265 563864918 /nfs/dbraw/zinc/86/49/18/563864918.db2.gz QLKAEGKYJMGBPR-JTQLQIEISA-N 1 0 394.280 2.760 20 5 GFBDRO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452094548 564390553 /nfs/dbraw/zinc/39/05/53/564390553.db2.gz IVXKNJBVQAEJCY-UHFFFAOYSA-N 1 0 399.289 2.760 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452113908 564394150 /nfs/dbraw/zinc/39/41/50/564394150.db2.gz IXSNJLYGUAQKTG-ZDUSSCGKSA-N 1 0 399.289 2.710 20 5 GFBDRO C[C@@H]1CC[N@H+](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307554 564697969 /nfs/dbraw/zinc/69/79/69/564697969.db2.gz VWMCLNHSPSYPNT-SECBINFHSA-N 1 0 382.269 2.522 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462140009 564822899 /nfs/dbraw/zinc/82/28/99/564822899.db2.gz ZPGWVVGJNPFEKX-SNVBAGLBSA-N 1 0 382.269 2.616 20 5 GFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467418089 564963673 /nfs/dbraw/zinc/96/36/73/564963673.db2.gz INDRWWUGXASJCW-UHFFFAOYSA-N 1 0 377.532 2.953 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccccc1Br ZINC000584525251 565085545 /nfs/dbraw/zinc/08/55/45/565085545.db2.gz ZFNMQJOHRFTZLV-CQSZACIVSA-N 1 0 395.253 2.929 20 5 GFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592365994 565272347 /nfs/dbraw/zinc/27/23/47/565272347.db2.gz OVMMHWXHXVSXSM-MWLCHTKSSA-N 1 0 381.376 2.504 20 5 GFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714843 565571746 /nfs/dbraw/zinc/57/17/46/565571746.db2.gz KDMAYWQHCGDHDW-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000599018371 565653893 /nfs/dbraw/zinc/65/38/93/565653893.db2.gz WPCRWNQKCJXXRO-GSJFWJNXSA-N 1 0 376.194 2.714 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000601968810 565810810 /nfs/dbraw/zinc/81/08/10/565810810.db2.gz NPJFOHSMRRXNLN-LLVKDONJSA-N 1 0 378.738 2.614 20 5 GFBDRO O=[N+]([O-])c1sc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000602478232 565851222 /nfs/dbraw/zinc/85/12/22/565851222.db2.gz WZXUEEDWNNJMDP-LLVKDONJSA-N 1 0 390.303 2.573 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196300 566032092 /nfs/dbraw/zinc/03/20/92/566032092.db2.gz LDCJXYYJGDUFSW-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+]2CCCC2)o1 ZINC000737321206 598247167 /nfs/dbraw/zinc/24/71/67/598247167.db2.gz ZLRPTWSSFILLHU-MRXNPFEDSA-N 1 0 383.412 2.925 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000738358700 598675061 /nfs/dbraw/zinc/67/50/61/598675061.db2.gz ODJJYFPNWMQRQV-MRXNPFEDSA-N 1 0 393.451 2.751 20 5 GFBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920068 606621566 /nfs/dbraw/zinc/62/15/66/606621566.db2.gz KARTWENAPSRQIN-PXAZEXFGSA-N 1 0 395.423 2.843 20 5 GFBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822271037 607114935 /nfs/dbraw/zinc/11/49/35/607114935.db2.gz JPFFYHOXXLWBIT-UHFFFAOYSA-N 1 0 381.440 2.652 20 5 GFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOc2ccccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000826498258 608173409 /nfs/dbraw/zinc/17/34/09/608173409.db2.gz NLUQIJONIDANAV-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826293271 608485276 /nfs/dbraw/zinc/48/52/76/608485276.db2.gz IYHOURFNLNYXAV-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO CC[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000825139281 608551652 /nfs/dbraw/zinc/55/16/52/608551652.db2.gz DDZHXBGVEPHSIB-MRXNPFEDSA-N 1 0 398.423 2.903 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826500028 608570672 /nfs/dbraw/zinc/57/06/72/608570672.db2.gz IUJXYFXZXZMKOB-UHFFFAOYSA-N 1 0 395.423 2.650 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830529558 660661814 /nfs/dbraw/zinc/66/18/14/660661814.db2.gz LNDMAJDASMBWJR-SNVBAGLBSA-N 1 0 396.296 2.864 20 5 GFBDRO Cc1c(Br)c(NCCCN2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000612442151 652935907 /nfs/dbraw/zinc/93/59/07/652935907.db2.gz OTQPYFVLPFABTH-UHFFFAOYSA-N 1 0 386.294 2.500 20 5 GFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000831217877 660704200 /nfs/dbraw/zinc/70/42/00/660704200.db2.gz NGAGVQFFNQZDSN-NXEZZACHSA-N 1 0 385.262 2.551 20 5 GFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269269160 655003590 /nfs/dbraw/zinc/00/35/90/655003590.db2.gz LPZWHKQSIIJZNQ-CQSZACIVSA-N 1 0 376.226 2.990 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1Br ZINC000839455851 661085157 /nfs/dbraw/zinc/08/51/57/661085157.db2.gz LNZCWQSWHRKDHH-AWEZNQCLSA-N 1 0 384.274 2.654 20 5 GFBDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173410910 655170674 /nfs/dbraw/zinc/17/06/74/655170674.db2.gz NIFZHPDHNSJQNL-LLVKDONJSA-N 1 0 377.413 2.510 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173924777 655186012 /nfs/dbraw/zinc/18/60/12/655186012.db2.gz AFFREIBDVWBIKN-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000276904065 655292461 /nfs/dbraw/zinc/29/24/61/655292461.db2.gz IHWRNTLNQNWXQS-UHFFFAOYSA-N 1 0 389.905 2.931 20 5 GFBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000193300114 655409238 /nfs/dbraw/zinc/40/92/38/655409238.db2.gz AROWXTPUUZQUAC-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO COc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000578285225 655475839 /nfs/dbraw/zinc/47/58/39/655475839.db2.gz ZUPCVFCDUVJWSD-UHFFFAOYSA-N 1 0 399.188 2.893 20 5 GFBDRO C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000754487952 655868686 /nfs/dbraw/zinc/86/86/86/655868686.db2.gz FQCJBMFOPIYFCW-JTQLQIEISA-N 1 0 379.429 2.979 20 5 GFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755009639 655878469 /nfs/dbraw/zinc/87/84/69/655878469.db2.gz VEUWRUPDWFWCDF-VIFPVBQESA-N 1 0 376.226 2.957 20 5 GFBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770380001 656317833 /nfs/dbraw/zinc/31/78/33/656317833.db2.gz MLHUUOAKWXJVAD-FZMZJTMJSA-N 1 0 382.258 2.848 20 5 GFBDRO C[N@H+](CCCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000841527544 661291342 /nfs/dbraw/zinc/29/13/42/661291342.db2.gz QWKYZEBQCMPXLW-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791418406 658093968 /nfs/dbraw/zinc/09/39/68/658093968.db2.gz OYWHPBUVWNAEOU-UHFFFAOYSA-N 1 0 384.285 2.768 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795858359 658861199 /nfs/dbraw/zinc/86/11/99/658861199.db2.gz WLVGWCZIFQRKKG-QWRGUYRKSA-N 1 0 393.868 2.881 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864430 658863347 /nfs/dbraw/zinc/86/33/47/658863347.db2.gz CWZPPHBMYIASPH-LLVKDONJSA-N 1 0 393.868 2.882 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000798225681 659084683 /nfs/dbraw/zinc/08/46/83/659084683.db2.gz GXDDAMBRIXLSKP-WDEREUQCSA-N 1 0 393.868 2.786 20 5 GFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000798226667 659086012 /nfs/dbraw/zinc/08/60/12/659086012.db2.gz RSZCVVQTRYPMBA-UHFFFAOYSA-N 1 0 393.868 2.930 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000805111315 659741395 /nfs/dbraw/zinc/74/13/95/659741395.db2.gz UITQVUYOGDRDKT-TZMCWYRMSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000809809295 659940602 /nfs/dbraw/zinc/94/06/02/659940602.db2.gz KTQPMVYFRHRFAF-LLVKDONJSA-N 1 0 393.868 2.788 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Cl ZINC000809815496 659941351 /nfs/dbraw/zinc/94/13/51/659941351.db2.gz IVESDGQBHCGLJP-LLVKDONJSA-N 1 0 391.852 2.636 20 5 GFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809835231 659947204 /nfs/dbraw/zinc/94/72/04/659947204.db2.gz IVZVBUJTAGWTEO-VIFPVBQESA-N 1 0 384.285 2.910 20 5 GFBDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC000811483107 660009988 /nfs/dbraw/zinc/00/99/88/660009988.db2.gz BYUDWDRVDMEBJQ-NSHDSACASA-N 1 0 386.239 2.744 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815019746 660102559 /nfs/dbraw/zinc/10/25/59/660102559.db2.gz TZVZGZIDWPVTEI-LLVKDONJSA-N 1 0 393.868 2.740 20 5 GFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000816639345 660163716 /nfs/dbraw/zinc/16/37/16/660163716.db2.gz PBKRWZVORYHUKT-JKSUJKDBSA-N 1 0 384.274 2.652 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842482922 661341581 /nfs/dbraw/zinc/34/15/81/661341581.db2.gz XJOOOXRECIQYPY-TZMCWYRMSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)CCCC2 ZINC000850519143 661780611 /nfs/dbraw/zinc/78/06/11/661780611.db2.gz XWSBPXXURPMXOF-CQSZACIVSA-N 1 0 380.388 2.929 20 5 GFBDRO CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC000851895629 661844104 /nfs/dbraw/zinc/84/41/04/661844104.db2.gz DEYULWHAVWTNED-SNVBAGLBSA-N 1 0 382.269 2.520 20 5 GFBDRO C[NH+](C)[C@@H]1CCc2ccccc2N(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000857902657 662094326 /nfs/dbraw/zinc/09/43/26/662094326.db2.gz UHMFYXOXKLCKLY-CYBMUJFWSA-N 1 0 381.479 2.728 20 5 GFBDRO C[C@]1(Br)C[C@H]1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780575 662215168 /nfs/dbraw/zinc/21/51/68/662215168.db2.gz LKBFKNIVUGOWEL-DZKIICNBSA-N 1 0 383.242 2.886 20 5 GFBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000866458044 662474444 /nfs/dbraw/zinc/47/44/44/662474444.db2.gz XMYFGBZMPQJKFB-JQWIXIFHSA-N 1 0 382.258 2.641 20 5 GFBDRO CC1=CC[N@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867417783 662548577 /nfs/dbraw/zinc/54/85/77/662548577.db2.gz JCNSGXAKLWFAMO-UHFFFAOYSA-N 1 0 382.258 2.668 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000881931847 663010173 /nfs/dbraw/zinc/01/01/73/663010173.db2.gz DGTLUSOEDPSHGP-NEPJUHHUSA-N 1 0 375.878 2.660 20 5 GFBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000882489895 663029002 /nfs/dbraw/zinc/02/90/02/663029002.db2.gz WKPGTQDNFJCCEK-VIFPVBQESA-N 1 0 376.638 2.835 20 5 GFBDRO C[NH+]1CCC2(CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000889224173 663237955 /nfs/dbraw/zinc/23/79/55/663237955.db2.gz ARUQNJCWFGWNNX-UHFFFAOYSA-N 1 0 386.221 2.807 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1Br ZINC000896625958 663568665 /nfs/dbraw/zinc/56/86/65/663568665.db2.gz WPGKGGPEOPFWBJ-UHFFFAOYSA-N 1 0 391.287 2.830 20 5 GFBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCNC1=O ZINC000897872777 663623180 /nfs/dbraw/zinc/62/31/80/663623180.db2.gz VZUMNOUFBVFQDY-MRXNPFEDSA-N 1 0 394.225 2.986 20 5 GFBDRO CC[NH+]1CCC(NC(=O)COc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC1 ZINC000902834876 663768143 /nfs/dbraw/zinc/76/81/43/663768143.db2.gz QIKQBXNLHSLMST-UHFFFAOYSA-N 1 0 376.240 2.881 20 5 GFBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000911945919 664263283 /nfs/dbraw/zinc/26/32/83/664263283.db2.gz LYNMXHXCMJEODH-UHFFFAOYSA-N 1 0 394.230 2.569 20 5 GFBDRO C[NH+]1CCC(OCC(=O)OCc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000923787218 664637805 /nfs/dbraw/zinc/63/78/05/664637805.db2.gz FKBMABWNAQPXAK-UHFFFAOYSA-N 1 0 387.230 2.511 20 5 GFBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164682705 719707493 /nfs/dbraw/zinc/70/74/93/719707493.db2.gz GOEPIUMCYHNNHW-UHFFFAOYSA-N 1 0 389.503 2.964 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807618 720082359 /nfs/dbraw/zinc/08/23/59/720082359.db2.gz GCWDAOLVXWHTEM-KKSFZXQISA-N 1 0 397.479 2.723 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001165021518 721822657 /nfs/dbraw/zinc/82/26/57/721822657.db2.gz FXDJYPBDFGTQCY-UCLAIMLFSA-N 1 0 382.468 2.704 20 5 GFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2c1 ZINC000611699486 721955902 /nfs/dbraw/zinc/95/59/02/721955902.db2.gz DEFRKKTVUZLBTL-UHFFFAOYSA-N 1 0 379.420 2.739 20 5 GFBDRO Cc1c(Br)c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000542505504 532773736 /nfs/dbraw/zinc/77/37/36/532773736.db2.gz DNJAUQOZOKOHJH-PHIMTYICSA-N 1 0 387.278 2.972 20 5 GFBDRO Cc1c(Br)c(NC[C@H]2C[N@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000542507311 532774548 /nfs/dbraw/zinc/77/45/48/532774548.db2.gz OEYYLSHLQHCYBV-LBPRGKRZSA-N 1 0 387.278 2.829 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000359978410 209208707 /nfs/dbraw/zinc/20/87/07/209208707.db2.gz ZTAUQSFCAGYBFF-LSDHHAIUSA-N 1 0 378.812 2.968 20 5 GFBDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066327483 551186405 /nfs/dbraw/zinc/18/64/05/551186405.db2.gz HWNPMOYKCXJYNK-UHFFFAOYSA-N 1 0 383.495 2.977 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000157276378 551535952 /nfs/dbraw/zinc/53/59/52/551535952.db2.gz JQMLCXAPBCMVLY-ABAIWWIYSA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000164072456 551624301 /nfs/dbraw/zinc/62/43/01/551624301.db2.gz COBJBFIJPIUEHK-OCCSQVGLSA-N 1 0 382.258 2.914 20 5 GFBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173954066 552095703 /nfs/dbraw/zinc/09/57/03/552095703.db2.gz VDGKAGASKLDCAK-ZDUSSCGKSA-N 1 0 389.905 2.909 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176723699 552144711 /nfs/dbraw/zinc/14/47/11/552144711.db2.gz GFYMQCZNJLFPKH-NEPJUHHUSA-N 1 0 375.878 2.660 20 5 GFBDRO CC1CC[NH+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179569724 552196492 /nfs/dbraw/zinc/19/64/92/552196492.db2.gz RYVFHWVPUSBJOS-UHFFFAOYSA-N 1 0 375.516 2.984 20 5 GFBDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181442580 552257048 /nfs/dbraw/zinc/25/70/48/552257048.db2.gz PKADSNJVRTXRID-NSHDSACASA-N 1 0 396.245 2.561 20 5 GFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000181532112 552260200 /nfs/dbraw/zinc/26/02/00/552260200.db2.gz XKCSGKPIGKFQRP-ZDUSSCGKSA-N 1 0 383.495 2.546 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000182529341 552286656 /nfs/dbraw/zinc/28/66/56/552286656.db2.gz LBLCCWNTWNDXGZ-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237047447 553074215 /nfs/dbraw/zinc/07/42/15/553074215.db2.gz YGEYSDNEXRMVNA-UHFFFAOYSA-N 1 0 396.296 2.912 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246183117 553104128 /nfs/dbraw/zinc/10/41/28/553104128.db2.gz NLZCDYLQYYRBJR-WCQYABFASA-N 1 0 375.878 2.599 20 5 GFBDRO CN(CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000255206991 553152008 /nfs/dbraw/zinc/15/20/08/553152008.db2.gz ATCLPZBOJNQMCM-DAXSKMNVSA-N 1 0 381.479 2.580 20 5 GFBDRO [NH3+]C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000420369638 563262726 /nfs/dbraw/zinc/26/27/26/563262726.db2.gz XXXFXCROPAOQTO-OAHLLOKOSA-N 1 0 399.289 2.793 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371236702 563269373 /nfs/dbraw/zinc/26/93/73/563269373.db2.gz QONHFNABBKUDGU-NHYWBVRUSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000374115445 563362711 /nfs/dbraw/zinc/36/27/11/563362711.db2.gz RHSGXIASNIKJJI-STQMWFEESA-N 1 0 387.889 2.709 20 5 GFBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301412582 563402942 /nfs/dbraw/zinc/40/29/42/563402942.db2.gz ZCEJLGVOXNNSCB-AWEZNQCLSA-N 1 0 383.290 2.574 20 5 GFBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425032 563421215 /nfs/dbraw/zinc/42/12/15/563421215.db2.gz SXASKZZZZUXVHW-JSGCOSHPSA-N 1 0 382.258 2.848 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000376116295 563429859 /nfs/dbraw/zinc/42/98/59/563429859.db2.gz QCUXICRNSNCEGC-NXEZZACHSA-N 1 0 388.287 2.975 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])s1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435572316 563653429 /nfs/dbraw/zinc/65/34/29/563653429.db2.gz DQYKUKFWQXULJI-LBPRGKRZSA-N 1 0 378.479 2.897 20 5 GFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289991634 563693941 /nfs/dbraw/zinc/69/39/41/563693941.db2.gz VWFVEVCLPFQMJC-WDEREUQCSA-N 1 0 391.852 2.635 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805944 563722272 /nfs/dbraw/zinc/72/22/72/563722272.db2.gz RUIYODSOSFJOLP-BXKDBHETSA-N 1 0 396.296 2.862 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085113 563736554 /nfs/dbraw/zinc/73/65/54/563736554.db2.gz ZIGZBAQYCZGUOA-NWDGAFQWSA-N 1 0 375.878 2.647 20 5 GFBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000440801695 563750419 /nfs/dbraw/zinc/75/04/19/563750419.db2.gz IMZXTFGNUPFDFO-VIFPVBQESA-N 1 0 382.269 2.651 20 5 GFBDRO Cn1ccnc1[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000365531334 563785702 /nfs/dbraw/zinc/78/57/02/563785702.db2.gz DHKDBAVLHYEJEB-NSHDSACASA-N 1 0 384.845 2.550 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366643315 563816662 /nfs/dbraw/zinc/81/66/62/563816662.db2.gz YHGRCHPQWTWFFA-CYBMUJFWSA-N 1 0 382.258 2.976 20 5 GFBDRO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000369047364 563885571 /nfs/dbraw/zinc/88/55/71/563885571.db2.gz JQJQTPGGOCZJEZ-UHFFFAOYSA-N 1 0 381.479 2.576 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2ccncc2)c1 ZINC000563786614 564206805 /nfs/dbraw/zinc/20/68/05/564206805.db2.gz QBFLUECHOPVQLG-UHFFFAOYSA-N 1 0 383.189 2.927 20 5 GFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)c2Br)C[C@@H]1[NH+](C)C ZINC000542509317 564316170 /nfs/dbraw/zinc/31/61/70/564316170.db2.gz VSFBOGGYCSWZIR-WDEREUQCSA-N 1 0 375.292 2.543 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000510439829 564333052 /nfs/dbraw/zinc/33/30/52/564333052.db2.gz BGZTZRPXNBQDKH-UHFFFAOYSA-N 1 0 382.258 2.976 20 5 GFBDRO CC[N@H+](CCOc1ccc(Br)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000478026024 564394031 /nfs/dbraw/zinc/39/40/31/564394031.db2.gz GAXIPFQPTLYXIE-UHFFFAOYSA-N 1 0 383.246 2.955 20 5 GFBDRO C[N@H+](CCn1cccn1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568330883 564414198 /nfs/dbraw/zinc/41/41/98/564414198.db2.gz CZEYSAXLSQCZSK-UHFFFAOYSA-N 1 0 386.193 2.528 20 5 GFBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480357548 564469227 /nfs/dbraw/zinc/46/92/27/564469227.db2.gz PMRUQFOBZOGFNM-MEDUHNTESA-N 1 0 387.889 2.569 20 5 GFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000570045787 564489476 /nfs/dbraw/zinc/48/94/76/564489476.db2.gz FNODOEVWWQYRIY-DTWKUNHWSA-N 1 0 386.239 2.943 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000516179611 564495851 /nfs/dbraw/zinc/49/58/51/564495851.db2.gz DHJZYUZDDVGWRW-LLVKDONJSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1c(Br)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000571923472 564572724 /nfs/dbraw/zinc/57/27/24/564572724.db2.gz IKSILRVJVXNERN-GFCCVEGCSA-N 1 0 399.289 2.974 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000520397361 564603515 /nfs/dbraw/zinc/60/35/15/564603515.db2.gz CELDIRVSYGYYDB-OBJOEFQTSA-N 1 0 385.251 2.995 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000521837443 564636809 /nfs/dbraw/zinc/63/68/09/564636809.db2.gz JLAWLPCFVVSQFU-AWEZNQCLSA-N 1 0 387.527 2.979 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000521837444 564636843 /nfs/dbraw/zinc/63/68/43/564636843.db2.gz JLAWLPCFVVSQFU-CQSZACIVSA-N 1 0 387.527 2.979 20 5 GFBDRO COc1cc(C[NH2+]C2(CO)CCSCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000459717730 564758807 /nfs/dbraw/zinc/75/88/07/564758807.db2.gz UJMMNUHBFYCZPW-UHFFFAOYSA-N 1 0 378.397 2.553 20 5 GFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580678521 564768766 /nfs/dbraw/zinc/76/87/66/564768766.db2.gz LFTAVVGVOGBWJL-UHFFFAOYSA-N 1 0 378.210 2.839 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000581755305 564817125 /nfs/dbraw/zinc/81/71/25/564817125.db2.gz FTLBGNRIMCIWBE-AULYBMBSSA-N 1 0 376.194 2.593 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462684638 564854794 /nfs/dbraw/zinc/85/47/94/564854794.db2.gz UHAZGSRUNZSZEU-SNVBAGLBSA-N 1 0 396.296 2.864 20 5 GFBDRO C[C@@H](O)[C@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410075 564890443 /nfs/dbraw/zinc/89/04/43/564890443.db2.gz SBCMVKUOVSNVNU-PWSUYJOCSA-N 1 0 390.221 2.792 20 5 GFBDRO Cc1c(NC(=O)NCc2ccc(N)nc2)cc(Br)cc1[N+](=O)[O-] ZINC000558815924 564915825 /nfs/dbraw/zinc/91/58/25/564915825.db2.gz JFJFHENJUPAMLA-UHFFFAOYSA-N 1 0 380.202 2.795 20 5 GFBDRO COc1ccc(Br)cc1C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000592137528 565261004 /nfs/dbraw/zinc/26/10/04/565261004.db2.gz FGOLPMRESNZQKR-UHFFFAOYSA-N 1 0 381.230 2.841 20 5 GFBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593188459 565318545 /nfs/dbraw/zinc/31/85/45/565318545.db2.gz HXHFNSAFYQFFNL-UTUOFQBUSA-N 1 0 384.274 2.839 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000594990523 565440052 /nfs/dbraw/zinc/44/00/52/565440052.db2.gz ZQBKRGHAMIWQHC-QWHCGFSZSA-N 1 0 388.205 2.593 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595116545 565448940 /nfs/dbraw/zinc/44/89/40/565448940.db2.gz RQJXITKQWULPDJ-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600473111 565731769 /nfs/dbraw/zinc/73/17/69/565731769.db2.gz QTDAZRHRSYUVNC-GFCCVEGCSA-N 1 0 386.239 2.668 20 5 GFBDRO O=C(CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)N1CCCCC1 ZINC000602522490 565852082 /nfs/dbraw/zinc/85/20/82/565852082.db2.gz WDBLTSNKGHNRHP-UHFFFAOYSA-N 1 0 376.276 2.911 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000602541663 565853919 /nfs/dbraw/zinc/85/39/19/565853919.db2.gz QPKQPLBZMBLDSQ-CMPLNLGQSA-N 1 0 379.766 2.776 20 5 GFBDRO C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000736131142 598501876 /nfs/dbraw/zinc/50/18/76/598501876.db2.gz JKYUJBRGAQJWTL-LBPRGKRZSA-N 1 0 382.428 2.711 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822212859 606136204 /nfs/dbraw/zinc/13/62/04/606136204.db2.gz KIQQPDLYRRMUMM-UHFFFAOYSA-N 1 0 393.451 2.796 20 5 GFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820728546 606138537 /nfs/dbraw/zinc/13/85/37/606138537.db2.gz XCJHSXXUXQWYHJ-OAHLLOKOSA-N 1 0 393.451 2.876 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000825707886 660438721 /nfs/dbraw/zinc/43/87/21/660438721.db2.gz AFWVCTBHUXCWKQ-GFCCVEGCSA-N 1 0 397.273 2.843 20 5 GFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000830584580 660665509 /nfs/dbraw/zinc/66/55/09/660665509.db2.gz UBVIOSHZPXCOQX-UHFFFAOYSA-N 1 0 385.262 2.604 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000832298921 660772208 /nfs/dbraw/zinc/77/22/08/660772208.db2.gz VDEDQWCMRXHHPU-UHFFFAOYSA-N 1 0 377.894 2.955 20 5 GFBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000266455124 654880013 /nfs/dbraw/zinc/88/00/13/654880013.db2.gz XWVWLCUVZFRZHA-CQSZACIVSA-N 1 0 383.290 2.574 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173917607 655185341 /nfs/dbraw/zinc/18/53/41/655185341.db2.gz QZZSVOFIBCRMQG-LBPRGKRZSA-N 1 0 375.878 2.601 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[NH+]1CCCCC1 ZINC000176191920 655239062 /nfs/dbraw/zinc/23/90/62/655239062.db2.gz DEGCUPABYZCAIR-UHFFFAOYSA-N 1 0 384.274 2.892 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119762614 655314180 /nfs/dbraw/zinc/31/41/80/655314180.db2.gz YVRHKMZBQLHLQN-KGLIPLIRSA-N 1 0 387.527 2.931 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000758444143 655932913 /nfs/dbraw/zinc/93/29/13/655932913.db2.gz CSCVMFROMKCTQD-LLVKDONJSA-N 1 0 377.894 2.811 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000769905889 656299486 /nfs/dbraw/zinc/29/94/86/656299486.db2.gz JROVXIFKIKTVAP-NWDGAFQWSA-N 1 0 375.878 2.708 20 5 GFBDRO CC[NH+](CC)CCOC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000772081166 656372515 /nfs/dbraw/zinc/37/25/15/656372515.db2.gz LLBZQWQVJPEGFR-UHFFFAOYSA-N 1 0 392.193 2.698 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000780715726 657025355 /nfs/dbraw/zinc/02/53/55/657025355.db2.gz NTIXBZQEHSWEKG-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000783702629 657252520 /nfs/dbraw/zinc/25/25/20/657252520.db2.gz XIRYTRRNMZQUGW-GFCCVEGCSA-N 1 0 386.290 2.634 20 5 GFBDRO O=C1CCCN1CCCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896947 658326859 /nfs/dbraw/zinc/32/68/59/658326859.db2.gz IGYUNVGNARQRMF-UHFFFAOYSA-N 1 0 382.258 2.728 20 5 GFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798169930 659078306 /nfs/dbraw/zinc/07/83/06/659078306.db2.gz GSOZYECJIRGJBR-NSHDSACASA-N 1 0 385.262 2.747 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226738 659086075 /nfs/dbraw/zinc/08/60/75/659086075.db2.gz DROOSTNZODNJRJ-GHMZBOCLSA-N 1 0 393.868 2.786 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000800537063 659315907 /nfs/dbraw/zinc/31/59/07/659315907.db2.gz LACOCZHSBDOCPS-AWEZNQCLSA-N 1 0 398.301 2.902 20 5 GFBDRO C[N@H+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCCC1 ZINC000809815870 659941213 /nfs/dbraw/zinc/94/12/13/659941213.db2.gz VGGZIOQTYLXPFN-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809823538 659944020 /nfs/dbraw/zinc/94/40/20/659944020.db2.gz ONCYWPMGOJLSAF-UHFFFAOYSA-N 1 0 384.285 2.864 20 5 GFBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810120127 659963218 /nfs/dbraw/zinc/96/32/18/659963218.db2.gz HVGCQJXXQVURDC-JTQLQIEISA-N 1 0 381.857 2.786 20 5 GFBDRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486919 660010238 /nfs/dbraw/zinc/01/02/38/660010238.db2.gz JRFXEHORJGSOGR-ZANVPECISA-N 1 0 396.296 2.709 20 5 GFBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811502037 660010676 /nfs/dbraw/zinc/01/06/76/660010676.db2.gz HDEAFFNFTFNAQF-NOZJJQNGSA-N 1 0 396.296 2.709 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812333007 660024504 /nfs/dbraw/zinc/02/45/04/660024504.db2.gz WIKSLQSLQWCQHH-YPMHNXCESA-N 1 0 382.258 2.689 20 5 GFBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813178282 660046052 /nfs/dbraw/zinc/04/60/52/660046052.db2.gz BOMFNYNDNDZIJY-NSHDSACASA-N 1 0 389.283 2.657 20 5 GFBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843109257 661368596 /nfs/dbraw/zinc/36/85/96/661368596.db2.gz WYCLJSNPYFLVRV-IUODEOHRSA-N 1 0 384.479 2.532 20 5 GFBDRO COCC[NH+]1CCC(OC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000847883530 661615132 /nfs/dbraw/zinc/61/51/32/661615132.db2.gz RRAIWJRDZYOMQI-UHFFFAOYSA-N 1 0 387.230 2.625 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849420087 661720745 /nfs/dbraw/zinc/72/07/45/661720745.db2.gz QQAIFWNUNOPJJZ-LLVKDONJSA-N 1 0 375.878 2.708 20 5 GFBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000850519084 661780448 /nfs/dbraw/zinc/78/04/48/661780448.db2.gz XJFPBTWCYIUTNT-ZDUSSCGKSA-N 1 0 380.388 2.884 20 5 GFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000856480330 662035556 /nfs/dbraw/zinc/03/55/56/662035556.db2.gz RVNZJMAZTVFIGB-GFCCVEGCSA-N 1 0 397.273 2.604 20 5 GFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000862629434 662295167 /nfs/dbraw/zinc/29/51/67/662295167.db2.gz POVJOCFPKZCHJC-GFCCVEGCSA-N 1 0 397.273 2.889 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000863573608 662336868 /nfs/dbraw/zinc/33/68/68/662336868.db2.gz BOLIDUJVZIVFEU-OAHLLOKOSA-N 1 0 398.301 2.948 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868810487 662620452 /nfs/dbraw/zinc/62/04/52/662620452.db2.gz RNWHTNKGEVXPSF-ZDUSSCGKSA-N 1 0 384.274 2.841 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877355787 662874188 /nfs/dbraw/zinc/87/41/88/662874188.db2.gz CDHXJAPYBXUORV-RKDXNWHRSA-N 1 0 383.729 2.525 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879022967 662913569 /nfs/dbraw/zinc/91/35/69/662913569.db2.gz DPLLBOPGMIFXGJ-GWCFXTLKSA-N 1 0 383.246 2.915 20 5 GFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000879271629 662922221 /nfs/dbraw/zinc/92/22/21/662922221.db2.gz HIKRGEUALJPHNK-IAGOWNOFSA-N 1 0 395.253 2.888 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000882030895 663014173 /nfs/dbraw/zinc/01/41/73/663014173.db2.gz YQWOVQOCCRZBAW-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000892478361 663374852 /nfs/dbraw/zinc/37/48/52/663374852.db2.gz LBLPXZZLADXNDR-ZDUSSCGKSA-N 1 0 399.289 2.935 20 5 GFBDRO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)n1ccnc1 ZINC000898903873 663668961 /nfs/dbraw/zinc/66/89/61/663668961.db2.gz MGJLJVBUKVTKTK-UHFFFAOYSA-N 1 0 381.230 2.648 20 5 GFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@]2(C)C1 ZINC000913281635 664331254 /nfs/dbraw/zinc/33/12/54/664331254.db2.gz BHDIEOPJAWPWBX-HZPDHXFCSA-N 1 0 382.258 2.771 20 5 GFBDRO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000923449542 664630778 /nfs/dbraw/zinc/63/07/78/664630778.db2.gz AFKDUIHQLAEZSK-CYBMUJFWSA-N 1 0 384.274 2.687 20 5 GFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935941752 665000500 /nfs/dbraw/zinc/00/05/00/665000500.db2.gz SSCXCLBZCHXCFS-JQWIXIFHSA-N 1 0 397.273 2.638 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cnc2c1 ZINC001164722160 720352394 /nfs/dbraw/zinc/35/23/94/720352394.db2.gz FGXZCHJCBDSRQX-MOPGFXCFSA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729053 720373184 /nfs/dbraw/zinc/37/31/84/720373184.db2.gz UWIUFSADPWETHU-RBUKOAKNSA-N 1 0 376.420 2.786 20 5 GFBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837891 720509625 /nfs/dbraw/zinc/50/96/25/720509625.db2.gz QLVLKENBPBKETP-ZHALLVOQSA-N 1 0 384.484 2.873 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1Cl ZINC001164733065 720559132 /nfs/dbraw/zinc/55/91/32/720559132.db2.gz IZADBNFCWPUEBT-UHFFFAOYSA-N 1 0 390.875 2.807 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001165024766 721816397 /nfs/dbraw/zinc/81/63/97/721816397.db2.gz KOUXLXASQGYPPN-DJIMGWMZSA-N 1 0 382.468 2.704 20 5 GFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c21 ZINC000509066153 721961061 /nfs/dbraw/zinc/96/10/61/721961061.db2.gz MZDLQUGBPWLCHY-UHFFFAOYSA-N 1 0 379.420 2.739 20 5 GFBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cn2)CC1 ZINC000014520052 210117902 /nfs/dbraw/zinc/11/79/02/210117902.db2.gz LMMJLFBHJQZPCK-UHFFFAOYSA-N 1 0 396.451 2.568 20 5 GFBDRO O=c1[nH]cnc2cc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000071952814 212057499 /nfs/dbraw/zinc/05/74/99/212057499.db2.gz LEPXEJQKUSPBQZ-OAHLLOKOSA-N 1 0 379.420 2.908 20 5 GFBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000116372506 551213375 /nfs/dbraw/zinc/21/33/75/551213375.db2.gz COWZGJGNNHPHKF-ZDUSSCGKSA-N 1 0 377.894 2.893 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)c1 ZINC000151261790 551409932 /nfs/dbraw/zinc/40/99/32/551409932.db2.gz CPGLVRGUZADTQZ-UHFFFAOYSA-N 1 0 391.172 2.945 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155267316 551495559 /nfs/dbraw/zinc/49/55/59/551495559.db2.gz XRKBWHMZCOEPHM-NHYWBVRUSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000170786989 551639741 /nfs/dbraw/zinc/63/97/41/551639741.db2.gz DQPIVNPKTNOKSO-CYBMUJFWSA-N 1 0 387.889 2.887 20 5 GFBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173948344 552095878 /nfs/dbraw/zinc/09/58/78/552095878.db2.gz MNDXCXLMMPGQIE-GFCCVEGCSA-N 1 0 375.878 2.601 20 5 GFBDRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181641810 552263531 /nfs/dbraw/zinc/26/35/31/552263531.db2.gz AOWVDWZOLUVPHR-GJZGRUSLSA-N 1 0 384.479 2.532 20 5 GFBDRO C[C@@H]1CSCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000190464773 552497430 /nfs/dbraw/zinc/49/74/30/552497430.db2.gz YJDGSQXLPIMXCH-JTQLQIEISA-N 1 0 388.287 2.981 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000193435443 552992909 /nfs/dbraw/zinc/99/29/09/552992909.db2.gz OZKBQYINJLUBHZ-UHFFFAOYSA-N 1 0 381.841 2.638 20 5 GFBDRO C[NH+](C)C1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000421679429 563319018 /nfs/dbraw/zinc/31/90/18/563319018.db2.gz KIMIGWWDYVMTET-UHFFFAOYSA-N 1 0 384.274 2.889 20 5 GFBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000422639132 563345450 /nfs/dbraw/zinc/34/54/50/563345450.db2.gz SEMDJQXZFFGFPV-GRYCIOLGSA-N 1 0 399.289 2.601 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301230249 563397315 /nfs/dbraw/zinc/39/73/15/563397315.db2.gz FAQFHMVQCODPGE-LLVKDONJSA-N 1 0 375.210 2.730 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000375537946 563408818 /nfs/dbraw/zinc/40/88/18/563408818.db2.gz VOAVQEXADLUERR-QMTHXVAHSA-N 1 0 383.246 2.915 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301930887 563416188 /nfs/dbraw/zinc/41/61/88/563416188.db2.gz LFKWGTKEHHHCSI-VXGBXAGGSA-N 1 0 375.516 2.840 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284668009 563485716 /nfs/dbraw/zinc/48/57/16/563485716.db2.gz GTOMUTXHOBWAKS-MRXNPFEDSA-N 1 0 393.241 2.655 20 5 GFBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330959064 563529190 /nfs/dbraw/zinc/52/91/90/563529190.db2.gz AVZDDWXEXRPMHE-OAHLLOKOSA-N 1 0 399.289 2.568 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290110173 563698763 /nfs/dbraw/zinc/69/87/63/563698763.db2.gz KKHRXOFJWUKLEV-LBPRGKRZSA-N 1 0 382.258 2.819 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290172980 563700065 /nfs/dbraw/zinc/70/00/65/563700065.db2.gz OYCFWWUQULFWNV-LBPRGKRZSA-N 1 0 382.258 2.819 20 5 GFBDRO COc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1[N+](=O)[O-] ZINC000414080503 563718152 /nfs/dbraw/zinc/71/81/52/563718152.db2.gz TXDAZKLSCPLQML-NSHDSACASA-N 1 0 396.241 2.706 20 5 GFBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000367202211 563835356 /nfs/dbraw/zinc/83/53/56/563835356.db2.gz YNHZKWKHOAQSHF-OAHLLOKOSA-N 1 0 397.317 2.962 20 5 GFBDRO CC(C)[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000445799499 563854490 /nfs/dbraw/zinc/85/44/90/563854490.db2.gz OIGUUIQHIUTNSB-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000368753579 563878262 /nfs/dbraw/zinc/87/82/62/563878262.db2.gz JLQIOGSOZOCMHW-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO CC[NH+](CC)CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000538742662 564199420 /nfs/dbraw/zinc/19/94/20/564199420.db2.gz KOGZNTGEDZMDGC-UHFFFAOYSA-N 1 0 375.516 2.618 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000565802410 564296462 /nfs/dbraw/zinc/29/64/62/564296462.db2.gz DGLFUPSFUGFOND-ZIAGYGMSSA-N 1 0 390.221 2.935 20 5 GFBDRO Cc1c(Br)cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510476798 564334607 /nfs/dbraw/zinc/33/46/07/564334607.db2.gz RMQGQKKQLUUMLS-OTYXRUKQSA-N 1 0 382.258 2.878 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCSC1 ZINC000480380688 564470534 /nfs/dbraw/zinc/47/05/34/564470534.db2.gz ZDTZKOFWBHUNOV-CQSZACIVSA-N 1 0 388.287 2.524 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000480896151 564494745 /nfs/dbraw/zinc/49/47/45/564494745.db2.gz JGBCVGXMUNZHOA-MEDUHNTESA-N 1 0 383.495 2.934 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(NCCCC[NH+]2CCN(CCO)CC2)c(Cl)c1 ZINC000548444492 564552185 /nfs/dbraw/zinc/55/21/85/564552185.db2.gz UNKGLIVJEAHMII-UHFFFAOYSA-N 1 0 391.299 2.704 20 5 GFBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531695 564642486 /nfs/dbraw/zinc/64/24/86/564642486.db2.gz ONDJRUUNSDQUDN-CHWSQXEVSA-N 1 0 384.483 2.530 20 5 GFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCn2cc(Br)cn2)n1 ZINC000490270666 564767612 /nfs/dbraw/zinc/76/76/12/564767612.db2.gz GIORYYGVHKWXSZ-KBPBESRZSA-N 1 0 397.277 2.914 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462582268 564850071 /nfs/dbraw/zinc/85/00/71/564850071.db2.gz AVSOIABLOWAVIC-CYBMUJFWSA-N 1 0 387.889 2.791 20 5 GFBDRO Cc1sc(S(=O)(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467400987 564962344 /nfs/dbraw/zinc/96/23/44/564962344.db2.gz NCCCPLCJWPVUHP-LBPRGKRZSA-N 1 0 383.495 2.764 20 5 GFBDRO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382764 565272634 /nfs/dbraw/zinc/27/26/34/565272634.db2.gz ZQYSGAKMOMUBJR-KWQFWETISA-N 1 0 382.269 2.650 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592391052 565274058 /nfs/dbraw/zinc/27/40/58/565274058.db2.gz SAGKGQSJAGAOSM-STQMWFEESA-N 1 0 387.889 2.649 20 5 GFBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000595747564 565490270 /nfs/dbraw/zinc/49/02/70/565490270.db2.gz NFFLFNHTWMQJBP-UHFFFAOYSA-N 1 0 388.205 2.978 20 5 GFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600313042 565723287 /nfs/dbraw/zinc/72/32/87/565723287.db2.gz HGZGABKUDWSCMG-GFCCVEGCSA-N 1 0 384.274 2.748 20 5 GFBDRO C[NH+](C)CCSc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000610680846 566092281 /nfs/dbraw/zinc/09/22/81/566092281.db2.gz YTTKULXBMOQONB-UHFFFAOYSA-N 1 0 387.527 2.813 20 5 GFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000610668361 566092414 /nfs/dbraw/zinc/09/24/14/566092414.db2.gz VWFBCITVIJIRNR-LLVKDONJSA-N 1 0 384.274 2.746 20 5 GFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000610668362 566092749 /nfs/dbraw/zinc/09/27/49/566092749.db2.gz VWFBCITVIJIRNR-NSHDSACASA-N 1 0 384.274 2.746 20 5 GFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000821180302 599277332 /nfs/dbraw/zinc/27/73/32/599277332.db2.gz BKYAUJUDXAWDNF-INIZCTEOSA-N 1 0 382.428 2.665 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738367954 598275224 /nfs/dbraw/zinc/27/52/24/598275224.db2.gz ABRZDAQSXJIONR-UHFFFAOYSA-N 1 0 379.424 2.534 20 5 GFBDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000736201989 599310304 /nfs/dbraw/zinc/31/03/04/599310304.db2.gz YRVWSSDYLQQGGP-AWEZNQCLSA-N 1 0 379.424 2.658 20 5 GFBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824778007 607679860 /nfs/dbraw/zinc/67/98/60/607679860.db2.gz MNQHVMMHHQUAFE-CYBMUJFWSA-N 1 0 394.439 2.807 20 5 GFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824414265 608279866 /nfs/dbraw/zinc/27/98/66/608279866.db2.gz YJDKMGNZDVPPBB-CQSZACIVSA-N 1 0 382.424 2.765 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)cc1 ZINC000826497967 608283442 /nfs/dbraw/zinc/28/34/42/608283442.db2.gz BBSFDHAECWVULF-UHFFFAOYSA-N 1 0 397.414 2.673 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827142454 660480735 /nfs/dbraw/zinc/48/07/35/660480735.db2.gz GWESZNZZTZUFLZ-GFCCVEGCSA-N 1 0 399.289 2.850 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000827295942 660487850 /nfs/dbraw/zinc/48/78/50/660487850.db2.gz CISRDMPPWPPXRM-CABZTGNLSA-N 1 0 386.221 2.663 20 5 GFBDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000069083988 654972620 /nfs/dbraw/zinc/97/26/20/654972620.db2.gz BZHOTZMKKUJAPY-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000151805924 655054510 /nfs/dbraw/zinc/05/45/10/655054510.db2.gz QHOWRNXJFYFMQV-UHFFFAOYSA-N 1 0 375.878 2.647 20 5 GFBDRO CSc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000275081228 655215616 /nfs/dbraw/zinc/21/56/16/655215616.db2.gz FHJUHGIDHSLXPR-HOCLYGCPSA-N 1 0 381.523 2.969 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000116907582 655256570 /nfs/dbraw/zinc/25/65/70/655256570.db2.gz NLOXFGDGRADESC-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000276957364 655294956 /nfs/dbraw/zinc/29/49/56/655294956.db2.gz PIDGPJLHERLBBL-UHFFFAOYSA-N 1 0 389.905 2.931 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277093827 655302809 /nfs/dbraw/zinc/30/28/09/655302809.db2.gz VOBZWJMBTXXATD-GFCCVEGCSA-N 1 0 375.878 2.661 20 5 GFBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C[NH+](C)C ZINC000120439483 655335998 /nfs/dbraw/zinc/33/59/98/655335998.db2.gz HSBFRBXKBGXKLP-LLVKDONJSA-N 1 0 386.290 2.992 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000595808634 655513155 /nfs/dbraw/zinc/51/31/55/655513155.db2.gz OMYDLTNHDPXDJR-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000596129658 655514080 /nfs/dbraw/zinc/51/40/80/655514080.db2.gz VXDZFRRBZQPLAH-CYBMUJFWSA-N 1 0 383.290 2.574 20 5 GFBDRO C[N@H+](CCCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000840316145 661154035 /nfs/dbraw/zinc/15/40/35/661154035.db2.gz KDPAOMLEBIXKQW-UHFFFAOYSA-N 1 0 377.413 2.877 20 5 GFBDRO CC[N@H+](CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000726183328 655531818 /nfs/dbraw/zinc/53/18/18/655531818.db2.gz HEWNSIXQRIKANI-UHFFFAOYSA-N 1 0 381.376 2.785 20 5 GFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731997338 655590589 /nfs/dbraw/zinc/59/05/89/655590589.db2.gz JFJLGEADJNGZHD-LLVKDONJSA-N 1 0 377.413 2.733 20 5 GFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000755006828 655878381 /nfs/dbraw/zinc/87/83/81/655878381.db2.gz GSKKTPUUJHWBQS-CYBMUJFWSA-N 1 0 386.221 2.663 20 5 GFBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000756126619 655895341 /nfs/dbraw/zinc/89/53/41/655895341.db2.gz BQBDVAZZSDCAEG-UHFFFAOYSA-N 1 0 389.905 2.931 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768810189 656252320 /nfs/dbraw/zinc/25/23/20/656252320.db2.gz DRCYSQKDUQJNGL-RYUDHWBXSA-N 1 0 375.516 2.691 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000775596586 656653446 /nfs/dbraw/zinc/65/34/46/656653446.db2.gz VZXQVPBLJBCDEY-AAEUAGOBSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000779885234 656955498 /nfs/dbraw/zinc/95/54/98/656955498.db2.gz QUIGNKMUJVMFIE-ZDUSSCGKSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000796116029 658893854 /nfs/dbraw/zinc/89/38/54/658893854.db2.gz RPCQMGNGQFFXHA-CHWSQXEVSA-N 1 0 387.889 2.804 20 5 GFBDRO O=C(N[C@@H]1CCc2cncn2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000804334097 659635745 /nfs/dbraw/zinc/63/57/45/659635745.db2.gz YNKNISSWNYGRRS-SECBINFHSA-N 1 0 399.632 2.952 20 5 GFBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809806590 659939968 /nfs/dbraw/zinc/93/99/68/659939968.db2.gz QENRAAUZNDAELS-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000810118518 659963275 /nfs/dbraw/zinc/96/32/75/659963275.db2.gz WYFVXMOCTGHRPF-GFCCVEGCSA-N 1 0 377.894 2.955 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814981966 660099898 /nfs/dbraw/zinc/09/98/98/660099898.db2.gz MPDCXOYYTKBYPA-UHFFFAOYSA-N 1 0 393.868 2.881 20 5 GFBDRO O=C(N[C@H]1CCC[NH2+]CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841977131 661318774 /nfs/dbraw/zinc/31/87/74/661318774.db2.gz LDNIOVSIPSNECT-NSHDSACASA-N 1 0 397.273 2.567 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000842483698 661341559 /nfs/dbraw/zinc/34/15/59/661341559.db2.gz OWNKCJAVHDUDAR-KBPBESRZSA-N 1 0 387.889 2.852 20 5 GFBDRO C[NH2+]C[C@H](C)c1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000842584441 661344614 /nfs/dbraw/zinc/34/46/14/661344614.db2.gz ZAIIXDUULCEVSZ-ZETCQYMHSA-N 1 0 388.165 2.572 20 5 GFBDRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000843457960 661382157 /nfs/dbraw/zinc/38/21/57/661382157.db2.gz QNGXEQNULDKIQV-UHFFFAOYSA-N 1 0 394.229 2.731 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CCO2 ZINC000844094234 661404313 /nfs/dbraw/zinc/40/43/13/661404313.db2.gz MRJTVYASUCGKQM-UHFFFAOYSA-N 1 0 388.251 2.838 20 5 GFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000848754816 661680995 /nfs/dbraw/zinc/68/09/95/661680995.db2.gz CTAJQPRQHKXQLC-AOOOYVTPSA-N 1 0 381.376 2.640 20 5 GFBDRO Cc1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1Br ZINC000853966750 661909268 /nfs/dbraw/zinc/90/92/68/661909268.db2.gz YKXRQZTUSGGBTR-CYBMUJFWSA-N 1 0 384.274 2.701 20 5 GFBDRO CN1CC[NH+](CC2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)CC1 ZINC000856725648 662038797 /nfs/dbraw/zinc/03/87/97/662038797.db2.gz OEOSHQQGSGQXTL-UHFFFAOYSA-N 1 0 397.317 2.821 20 5 GFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866422278 662471971 /nfs/dbraw/zinc/47/19/71/662471971.db2.gz AWVOHYNCBYGWFB-KGLIPLIRSA-N 1 0 396.285 2.985 20 5 GFBDRO C[N@H+](CCCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000868823724 662620975 /nfs/dbraw/zinc/62/09/75/662620975.db2.gz YEKIBNBMRVXOCA-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000872267256 662759627 /nfs/dbraw/zinc/75/96/27/662759627.db2.gz WLHHFTYEKIVMJI-GASCZTMLSA-N 1 0 386.221 2.568 20 5 GFBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877246996 662872518 /nfs/dbraw/zinc/87/25/18/662872518.db2.gz UZHNPEOYVYPSPE-GUDFOSOFSA-N 1 0 386.221 2.757 20 5 GFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878426142 662896046 /nfs/dbraw/zinc/89/60/46/662896046.db2.gz HVRUNCXURJCKET-LBPRGKRZSA-N 1 0 399.289 2.888 20 5 GFBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000883294893 663052567 /nfs/dbraw/zinc/05/25/67/663052567.db2.gz PBPQVVKUJSZYBN-JTQLQIEISA-N 1 0 391.287 2.660 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889724941 663260966 /nfs/dbraw/zinc/26/09/66/663260966.db2.gz BJUHNSGZBOEVGQ-ZDUSSCGKSA-N 1 0 385.262 2.593 20 5 GFBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892570078 663377471 /nfs/dbraw/zinc/37/74/71/663377471.db2.gz JIUOKULVDDXOEN-UHFFFAOYSA-N 1 0 375.878 2.542 20 5 GFBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896138684 663542297 /nfs/dbraw/zinc/54/22/97/663542297.db2.gz SZEGEBWDSQNRNP-VIFPVBQESA-N 1 0 394.230 2.881 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2SC(F)(F)F)c1 ZINC000905698031 663887318 /nfs/dbraw/zinc/88/73/18/663887318.db2.gz DZMNKJONFCFBQU-LBPRGKRZSA-N 1 0 376.360 2.554 20 5 GFBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C12CCC2 ZINC000912603336 664294404 /nfs/dbraw/zinc/29/44/04/664294404.db2.gz SWKHUKMNNDAPKG-CHWSQXEVSA-N 1 0 382.258 2.960 20 5 GFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913285271 664331262 /nfs/dbraw/zinc/33/12/62/664331262.db2.gz SAZVHKMXMMYJAP-HOTGVXAUSA-N 1 0 382.258 2.771 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923737150 664637242 /nfs/dbraw/zinc/63/72/42/664637242.db2.gz XCZKEZGPEIVYAH-CQSZACIVSA-N 1 0 394.280 2.808 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806793 720071555 /nfs/dbraw/zinc/07/15/55/720071555.db2.gz DGWSPQAFRGJOKD-KSSFIOAISA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808487 720084932 /nfs/dbraw/zinc/08/49/32/720084932.db2.gz HRMDUKUEFNNPDM-KBXCAEBGSA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809064 720106050 /nfs/dbraw/zinc/10/60/50/720106050.db2.gz GNVVAOJTOOKDDH-KKSFZXQISA-N 1 0 397.479 2.723 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818470 720192909 /nfs/dbraw/zinc/19/29/09/720192909.db2.gz SWAFUSXNRQZWBO-KKSFZXQISA-N 1 0 397.479 2.723 20 5 GFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164834721 720510643 /nfs/dbraw/zinc/51/06/43/720510643.db2.gz HGYPYJCBZJIUTL-QXAKKESOSA-N 1 0 384.484 2.873 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767336 721108031 /nfs/dbraw/zinc/10/80/31/721108031.db2.gz MWWSSXLKWRUPDS-HUUCEWRRSA-N 1 0 390.875 2.643 20 5 GFBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899725 721511030 /nfs/dbraw/zinc/51/10/30/721511030.db2.gz LYGFRUVHIBGWSJ-TZMCWYRMSA-N 1 0 393.806 2.519 20 5 GFBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027163 721817330 /nfs/dbraw/zinc/81/73/30/721817330.db2.gz SRHWPNINPPOSOA-XKGZKEIXSA-N 1 0 397.479 2.669 20 5 GFBDRO CCc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904858 721920653 /nfs/dbraw/zinc/92/06/53/721920653.db2.gz VKZKBRHYFIAYLD-IBGZPJMESA-N 1 0 397.479 2.915 20 5 GFBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164940635 721927071 /nfs/dbraw/zinc/92/70/71/721927071.db2.gz VEPKUYNZXNLPLD-UHFFFAOYSA-N 1 0 397.479 2.752 20 5 GFBDRO CCOC(=O)c1nc(Cl)nc(N2CCC([NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC001165052173 722000272 /nfs/dbraw/zinc/00/02/72/722000272.db2.gz NTKZAAGFBJVWMG-UHFFFAOYSA-N 1 0 385.852 2.526 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000155103380 551491175 /nfs/dbraw/zinc/49/11/75/551491175.db2.gz LCUKKYBVFHNDPJ-JTQLQIEISA-N 1 0 378.479 2.945 20 5 GFBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000160962583 551588042 /nfs/dbraw/zinc/58/80/42/551588042.db2.gz JICDAXRNMNARPD-UHFFFAOYSA-N 1 0 387.527 2.978 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000182664341 552290134 /nfs/dbraw/zinc/29/01/34/552290134.db2.gz XDTGULFKSJZLEL-AAEUAGOBSA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000246204503 553104634 /nfs/dbraw/zinc/10/46/34/553104634.db2.gz FGXBNTFMBSMNRF-SMDDNHRTSA-N 1 0 382.258 2.914 20 5 GFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247438368 553122068 /nfs/dbraw/zinc/12/20/68/553122068.db2.gz RUZUUCKNDOGBJD-IAQYHMDHSA-N 1 0 384.274 2.745 20 5 GFBDRO C[C@@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000567003034 564353258 /nfs/dbraw/zinc/35/32/58/564353258.db2.gz RUCCCEDUEHMQMZ-ZWNOBZJWSA-N 1 0 389.237 2.772 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)o2)c(Br)c1 ZINC000370398083 563242691 /nfs/dbraw/zinc/24/26/91/563242691.db2.gz OTXJBKUWYIPWPH-NWDGAFQWSA-N 1 0 397.225 2.545 20 5 GFBDRO COc1cc(C[NH2+]CCCCn2cc(Br)cn2)c([N+](=O)[O-])cc1O ZINC000280660174 563348720 /nfs/dbraw/zinc/34/87/20/563348720.db2.gz STQXXAYFMSCADZ-UHFFFAOYSA-N 1 0 399.245 2.838 20 5 GFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000280832167 563356527 /nfs/dbraw/zinc/35/65/27/563356527.db2.gz WCGZDYBNQURBSP-GFCCVEGCSA-N 1 0 378.738 2.787 20 5 GFBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Br ZINC000375963486 563424673 /nfs/dbraw/zinc/42/46/73/563424673.db2.gz KGAPMECMCRBANL-INIZCTEOSA-N 1 0 390.237 2.974 20 5 GFBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000378247266 563499544 /nfs/dbraw/zinc/49/95/44/563499544.db2.gz KLMVDIQVRYMKIM-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332085197 563575552 /nfs/dbraw/zinc/57/55/52/563575552.db2.gz QGJDTQJDAXGMKX-WCQYABFASA-N 1 0 387.889 2.804 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000289504938 563676677 /nfs/dbraw/zinc/67/66/77/563676677.db2.gz LAMVUONHFRCSKQ-MQMHXKEQSA-N 1 0 390.221 2.935 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290110169 563698502 /nfs/dbraw/zinc/69/85/02/563698502.db2.gz KKHRXOFJWUKLEV-GFCCVEGCSA-N 1 0 382.258 2.819 20 5 GFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000440403558 563741483 /nfs/dbraw/zinc/74/14/83/563741483.db2.gz FLTGIIMEJYVBOW-RKDXNWHRSA-N 1 0 382.269 2.650 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567352547 564368153 /nfs/dbraw/zinc/36/81/53/564368153.db2.gz FEVPYDBVEPTDBT-CQSZACIVSA-N 1 0 394.280 2.666 20 5 GFBDRO C[C@H]1CSC[C@H]1[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512177945 564394901 /nfs/dbraw/zinc/39/49/01/564394901.db2.gz HLGOOTJDYHHRCH-GXFFZTMASA-N 1 0 378.479 2.998 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000571927357 564572374 /nfs/dbraw/zinc/57/23/74/564572374.db2.gz ABUYMSKBXCRYOR-RISCZKNCSA-N 1 0 390.221 2.840 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)c1 ZINC000573199411 564627541 /nfs/dbraw/zinc/62/75/41/564627541.db2.gz WPZXQWVLZBRQMI-CYBMUJFWSA-N 1 0 389.239 2.518 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000573841046 564656090 /nfs/dbraw/zinc/65/60/90/564656090.db2.gz GAVVUCULAXMYBZ-RYUDHWBXSA-N 1 0 382.258 2.819 20 5 GFBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000523858984 564673440 /nfs/dbraw/zinc/67/34/40/564673440.db2.gz QIXAPEGCJJUUEN-AWEZNQCLSA-N 1 0 377.894 2.893 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495560626 564855605 /nfs/dbraw/zinc/85/56/05/564855605.db2.gz DWPARUDNPKMHGY-AWEZNQCLSA-N 1 0 382.258 2.962 20 5 GFBDRO CS[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000495581125 564856055 /nfs/dbraw/zinc/85/60/55/564856055.db2.gz UWWXWHAOJQIENU-WDBKCZKBSA-N 1 0 387.889 2.520 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000466381529 564939972 /nfs/dbraw/zinc/93/99/72/564939972.db2.gz SRPDFTSDSNUMOT-UHFFFAOYSA-N 1 0 383.857 2.706 20 5 GFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467788586 564972371 /nfs/dbraw/zinc/97/23/71/564972371.db2.gz NFYGSSYYRHRAOF-CYBMUJFWSA-N 1 0 387.889 2.601 20 5 GFBDRO CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000613916371 565085249 /nfs/dbraw/zinc/08/52/49/565085249.db2.gz AHZGZMLHTAHTAT-OLZOCXBDSA-N 1 0 387.303 2.768 20 5 GFBDRO CS[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000614977796 565140051 /nfs/dbraw/zinc/14/00/51/565140051.db2.gz LFDUJVTUQNYRPO-CHWSQXEVSA-N 1 0 387.303 2.768 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592256087 565264736 /nfs/dbraw/zinc/26/47/36/565264736.db2.gz XKXYYIDZIOQQEX-VXGBXAGGSA-N 1 0 382.258 2.819 20 5 GFBDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596065623 565512034 /nfs/dbraw/zinc/51/20/34/565512034.db2.gz HWDIQBSHFKPGQR-GOEBONIOSA-N 1 0 397.273 2.526 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597857358 565578755 /nfs/dbraw/zinc/57/87/55/565578755.db2.gz FFYKHDXLRAXGHL-ZDUSSCGKSA-N 1 0 384.274 2.889 20 5 GFBDRO O=C(NCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1cccs1 ZINC000602515706 565852770 /nfs/dbraw/zinc/85/27/70/565852770.db2.gz BPGPYPHPWCMMHN-UHFFFAOYSA-N 1 0 390.284 3.000 20 5 GFBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(F)(F)F ZINC000602541668 565853742 /nfs/dbraw/zinc/85/37/42/565853742.db2.gz QPKQPLBZMBLDSQ-ZYHUDNBSSA-N 1 0 379.766 2.776 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1Br ZINC000602574945 565855281 /nfs/dbraw/zinc/85/52/81/565855281.db2.gz CUDXLVSDMHYFIA-UHFFFAOYSA-N 1 0 397.316 2.723 20 5 GFBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602654897 565860949 /nfs/dbraw/zinc/86/09/49/565860949.db2.gz RETFTWHCPLYPLS-LDYMZIIASA-N 1 0 381.292 2.666 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000602831051 565870910 /nfs/dbraw/zinc/87/09/10/565870910.db2.gz YPZLKIJFHWOJQF-ZDUSSCGKSA-N 1 0 381.230 2.976 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135164 566068323 /nfs/dbraw/zinc/06/83/23/566068323.db2.gz LWFGSBSDSAUNPN-AAEUAGOBSA-N 1 0 375.878 2.742 20 5 GFBDRO Cc1ccc([C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000737320983 598247016 /nfs/dbraw/zinc/24/70/16/598247016.db2.gz XYHGLWWZHJNONS-INIZCTEOSA-N 1 0 383.412 2.925 20 5 GFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738369666 598674917 /nfs/dbraw/zinc/67/49/17/598674917.db2.gz LPPXNLNMLGSVCV-INIZCTEOSA-N 1 0 393.451 2.751 20 5 GFBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCCC[C@H]1C ZINC000820705980 599473574 /nfs/dbraw/zinc/47/35/74/599473574.db2.gz XFXDFRCGGDYSDH-OLZOCXBDSA-N 1 0 396.455 2.998 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826498665 607451117 /nfs/dbraw/zinc/45/11/17/607451117.db2.gz DYEXDHKUHIHDJK-UHFFFAOYSA-N 1 0 397.414 2.626 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823620655 606703860 /nfs/dbraw/zinc/70/38/60/606703860.db2.gz NSJLIEYBMUFDGE-HNNXBMFYSA-N 1 0 394.439 2.637 20 5 GFBDRO C[C@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820664509 606716174 /nfs/dbraw/zinc/71/61/74/606716174.db2.gz AZUXKOPIKUBEFS-DZGCQCFKSA-N 1 0 394.439 2.635 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826283206 608554018 /nfs/dbraw/zinc/55/40/18/608554018.db2.gz MTOADDNANGLPMS-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826282981 608554116 /nfs/dbraw/zinc/55/41/16/608554116.db2.gz HLZJMWWXBKOELU-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO C[C@H](CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCCC1 ZINC000824400531 609605449 /nfs/dbraw/zinc/60/54/49/609605449.db2.gz JCJXEVMXSPUFIU-CYBMUJFWSA-N 1 0 396.455 3.000 20 5 GFBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825664423 660436903 /nfs/dbraw/zinc/43/69/03/660436903.db2.gz FKCUTSATFKOVDY-UHFFFAOYSA-N 1 0 385.262 2.604 20 5 GFBDRO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000097552718 655035833 /nfs/dbraw/zinc/03/58/33/655035833.db2.gz OKBTYWHKCKHDLG-ZDUSSCGKSA-N 1 0 381.376 2.640 20 5 GFBDRO C[NH+](C)Cc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1F ZINC000272832047 655122897 /nfs/dbraw/zinc/12/28/97/655122897.db2.gz LFQOWOUABIZZMW-UHFFFAOYSA-N 1 0 387.458 2.873 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000273009075 655127569 /nfs/dbraw/zinc/12/75/69/655127569.db2.gz IUUCKXHYENIHDY-LLVKDONJSA-N 1 0 378.479 2.850 20 5 GFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1CC(C)(C)O ZINC000839573879 661092934 /nfs/dbraw/zinc/09/29/34/661092934.db2.gz HLXAGEJFFZABID-GFCCVEGCSA-N 1 0 386.290 2.634 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176689145 655252081 /nfs/dbraw/zinc/25/20/81/655252081.db2.gz DTKJQPIYDDSWHH-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000119710605 655312086 /nfs/dbraw/zinc/31/20/86/655312086.db2.gz MMWXLSVLOFBSBX-LBPRGKRZSA-N 1 0 384.274 2.890 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000246149489 655429308 /nfs/dbraw/zinc/42/93/08/655429308.db2.gz OVTQSXJXBSMVEW-JSGCOSHPSA-N 1 0 389.905 2.907 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000574804313 655430992 /nfs/dbraw/zinc/43/09/92/655430992.db2.gz YIGNSGNCGUQIQJ-LBPRGKRZSA-N 1 0 397.225 2.592 20 5 GFBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000575931132 655440231 /nfs/dbraw/zinc/44/02/31/655440231.db2.gz SNIZYURFQBBACU-LBPRGKRZSA-N 1 0 387.889 2.743 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000577717652 655465521 /nfs/dbraw/zinc/46/55/21/655465521.db2.gz DAYHZOZKUJPWDO-ZDUSSCGKSA-N 1 0 376.194 2.858 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000749144717 655801012 /nfs/dbraw/zinc/80/10/12/655801012.db2.gz UJBLHXOAPDCRKU-CYBMUJFWSA-N 1 0 385.262 2.808 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000752247260 655841328 /nfs/dbraw/zinc/84/13/28/655841328.db2.gz NGHCPTHOWMEDSO-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754999880 655878238 /nfs/dbraw/zinc/87/82/38/655878238.db2.gz ZXPHQHWNYUSFMU-UHFFFAOYSA-N 1 0 376.226 2.910 20 5 GFBDRO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764189910 656104103 /nfs/dbraw/zinc/10/41/03/656104103.db2.gz ZQXXVNVQFJKYLF-HIFRSBDPSA-N 1 0 397.317 2.820 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000769525053 656279562 /nfs/dbraw/zinc/27/95/62/656279562.db2.gz ONBTWWJBNZWJCJ-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000776582694 656762399 /nfs/dbraw/zinc/76/23/99/656762399.db2.gz TXBHQKOUGBFRKE-MRXNPFEDSA-N 1 0 395.257 2.924 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000795829410 658855917 /nfs/dbraw/zinc/85/59/17/658855917.db2.gz PLTLJBLOZFXLTH-NSHDSACASA-N 1 0 391.852 2.636 20 5 GFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000798160507 659076856 /nfs/dbraw/zinc/07/68/56/659076856.db2.gz KWHPOCMQEWPYOJ-GHMZBOCLSA-N 1 0 385.262 2.603 20 5 GFBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155993 659169134 /nfs/dbraw/zinc/16/91/34/659169134.db2.gz JZQIJWSPGLVDLX-WVWOOGAGSA-N 1 0 387.278 2.773 20 5 GFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000805111572 659742085 /nfs/dbraw/zinc/74/20/85/659742085.db2.gz YWTXFNRGVWHWAS-GWCFXTLKSA-N 1 0 391.852 2.635 20 5 GFBDRO [NH3+]CCN(Cc1nc2ccccn2c1Br)c1ccc([N+](=O)[O-])cc1 ZINC000809736254 659937645 /nfs/dbraw/zinc/93/76/45/659937645.db2.gz LTOPINVCSIALKH-UHFFFAOYSA-N 1 0 390.241 2.970 20 5 GFBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810117820 659962977 /nfs/dbraw/zinc/96/29/77/659962977.db2.gz HVGCQJXXQVURDC-SNVBAGLBSA-N 1 0 381.857 2.786 20 5 GFBDRO C[C@H]1CCC[N@@H+]1CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810147556 659964710 /nfs/dbraw/zinc/96/47/10/659964710.db2.gz NMTZHQXNVZFBPK-NSHDSACASA-N 1 0 389.237 2.773 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815021406 660102692 /nfs/dbraw/zinc/10/26/92/660102692.db2.gz LUBYTOBCTWLBPI-UWVGGRQHSA-N 1 0 379.841 2.538 20 5 GFBDRO C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000815023804 660103192 /nfs/dbraw/zinc/10/31/92/660103192.db2.gz IZAGSLBWWJWXNH-SECBINFHSA-N 1 0 381.857 2.642 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000841547733 661296058 /nfs/dbraw/zinc/29/60/58/661296058.db2.gz AHFDMJHYSFHFDI-LBPRGKRZSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000842481926 661341370 /nfs/dbraw/zinc/34/13/70/661341370.db2.gz MJOSXZNWJOUWBB-OLZOCXBDSA-N 1 0 387.889 2.709 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000842484272 661341622 /nfs/dbraw/zinc/34/16/22/661341622.db2.gz ZKECGAZFQWPYTE-KBPBESRZSA-N 1 0 387.889 2.852 20 5 GFBDRO CN(Cc1nc([C@@H]2CCC[NH2+]2)no1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842637366 661347006 /nfs/dbraw/zinc/34/70/06/661347006.db2.gz LZOZUPAFBMFXAW-JTQLQIEISA-N 1 0 382.218 2.801 20 5 GFBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000843152638 661370972 /nfs/dbraw/zinc/37/09/72/661370972.db2.gz LQTUMMNXFRFSET-JTQLQIEISA-N 1 0 388.165 2.905 20 5 GFBDRO [NH2+]=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCSCC1 ZINC000849056198 661690344 /nfs/dbraw/zinc/69/03/44/661690344.db2.gz ZISLNVDNOOPETI-UHFFFAOYSA-N 1 0 377.392 2.599 20 5 GFBDRO C[NH+](C)CCC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000852762587 661873842 /nfs/dbraw/zinc/87/38/42/661873842.db2.gz PNHDEGHVKXBMAL-AWEZNQCLSA-N 1 0 386.290 2.900 20 5 GFBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351704 662241742 /nfs/dbraw/zinc/24/17/42/662241742.db2.gz VINUWQGXVGEKCL-DZGCQCFKSA-N 1 0 387.230 2.623 20 5 GFBDRO C[C@@H]1CC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[NH2+]1 ZINC000861690353 662254878 /nfs/dbraw/zinc/25/48/78/662254878.db2.gz NSUHEPZEVSHNQD-MNOVXSKESA-N 1 0 397.273 2.566 20 5 GFBDRO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864596318 662380883 /nfs/dbraw/zinc/38/08/83/662380883.db2.gz MHEQFCGOZZGPAN-UHFFFAOYSA-N 1 0 384.274 2.889 20 5 GFBDRO Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000866212100 662464678 /nfs/dbraw/zinc/46/46/78/662464678.db2.gz CNHAUIPNLUSGIR-UHFFFAOYSA-N 1 0 397.317 2.882 20 5 GFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000868634079 662613003 /nfs/dbraw/zinc/61/30/03/662613003.db2.gz OOSILSFBIDQUJP-KRWDZBQOSA-N 1 0 396.285 2.844 20 5 GFBDRO CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000869072700 662628893 /nfs/dbraw/zinc/62/88/93/662628893.db2.gz PZTIAERXBNPDKP-CYBMUJFWSA-N 1 0 384.274 2.843 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000873227193 662804146 /nfs/dbraw/zinc/80/41/46/662804146.db2.gz IAWXDEUBPNSYFZ-PSASIEDQSA-N 1 0 382.180 2.926 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cn1 ZINC000877129006 662871492 /nfs/dbraw/zinc/87/14/92/662871492.db2.gz GNPLAANCJQKCHF-VYDXJSESSA-N 1 0 380.539 2.928 20 5 GFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878426141 662896059 /nfs/dbraw/zinc/89/60/59/662896059.db2.gz HVRUNCXURJCKET-GFCCVEGCSA-N 1 0 399.289 2.888 20 5 GFBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000879271628 662922165 /nfs/dbraw/zinc/92/21/65/662922165.db2.gz HIKRGEUALJPHNK-DLBZAZTESA-N 1 0 395.253 2.888 20 5 GFBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000886953445 663126203 /nfs/dbraw/zinc/12/62/03/663126203.db2.gz ZVWRQRRYNKRPIC-QMMMGPOBSA-N 1 0 393.188 2.724 20 5 GFBDRO CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000889718531 663259802 /nfs/dbraw/zinc/25/98/02/663259802.db2.gz FKLSYULVVVQVGO-CYBMUJFWSA-N 1 0 385.262 2.593 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000889729510 663261743 /nfs/dbraw/zinc/26/17/43/663261743.db2.gz NCBQHTCKXMCTPP-CQSZACIVSA-N 1 0 397.273 2.737 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756609 663263788 /nfs/dbraw/zinc/26/37/88/663263788.db2.gz PEPPCDZXZTWPQM-KGLIPLIRSA-N 1 0 388.251 2.573 20 5 GFBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219744 663595124 /nfs/dbraw/zinc/59/51/24/663595124.db2.gz NOHJSBVHOURSGW-OLZOCXBDSA-N 1 0 388.237 2.532 20 5 GFBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000901136111 663730901 /nfs/dbraw/zinc/73/09/01/663730901.db2.gz YYTCRKIGFBTKRZ-SECBINFHSA-N 1 0 394.230 2.617 20 5 GFBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000915273351 664426415 /nfs/dbraw/zinc/42/64/15/664426415.db2.gz DKFWRZQBLGVMSY-UHFFFAOYSA-N 1 0 392.193 2.698 20 5 GFBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928085659 664722248 /nfs/dbraw/zinc/72/22/48/664722248.db2.gz JLYBXCSTGLEUBD-DZGCQCFKSA-N 1 0 387.864 2.626 20 5 GFBDRO Nc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000932272655 664817603 /nfs/dbraw/zinc/81/76/03/664817603.db2.gz JAEJOALCTIOQBJ-GFCCVEGCSA-N 1 0 397.273 2.640 20 5 GFBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000935368873 664956941 /nfs/dbraw/zinc/95/69/41/664956941.db2.gz UZMHKUOHDBOCAL-GDBMZVCRSA-N 1 0 381.523 2.969 20 5 GFBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620461 719059192 /nfs/dbraw/zinc/05/91/92/719059192.db2.gz FFAYVAMSXYDUEN-APWZRJJASA-N 1 0 396.447 2.877 20 5 GFBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001164729245 720510516 /nfs/dbraw/zinc/51/05/16/720510516.db2.gz JBPCLMIIWRJWFQ-SNVBAGLBSA-N 1 0 385.255 2.691 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164840342 720696554 /nfs/dbraw/zinc/69/65/54/720696554.db2.gz DDLLWDHUSYNZQZ-KRWDZBQOSA-N 1 0 397.479 2.832 20 5 GFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]2C ZINC001164857025 720943074 /nfs/dbraw/zinc/94/30/74/720943074.db2.gz FPJHBPGSPYKNHX-LBPRGKRZSA-N 1 0 389.416 2.516 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867498 721047916 /nfs/dbraw/zinc/04/79/16/721047916.db2.gz JHZSVLWRNZPLNL-CVEARBPZSA-N 1 0 389.843 2.518 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164761880 721241470 /nfs/dbraw/zinc/24/14/70/721241470.db2.gz JRUBCWSMFKXZFJ-ROUUACIJSA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793001 721493806 /nfs/dbraw/zinc/49/38/06/721493806.db2.gz YFKAODWTEIWVDJ-UHFFFAOYSA-N 1 0 382.468 2.969 20 5 GFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153973788 551464544 /nfs/dbraw/zinc/46/45/44/551464544.db2.gz ALGKVEQHJPEFAP-DZGCQCFKSA-N 1 0 396.285 2.985 20 5 GFBDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC000158377724 551551371 /nfs/dbraw/zinc/55/13/71/551551371.db2.gz ATYYLTLDDBGFPU-UHFFFAOYSA-N 1 0 383.495 2.650 20 5 GFBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000163838565 551622451 /nfs/dbraw/zinc/62/24/51/551622451.db2.gz WJOLBEBOIQPAKE-NSHDSACASA-N 1 0 382.258 2.880 20 5 GFBDRO CN(CC[NH+](C)C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000176390290 552140064 /nfs/dbraw/zinc/14/00/64/552140064.db2.gz OZVSWKFYAOYUMB-UHFFFAOYSA-N 1 0 386.239 2.721 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000179078323 552183976 /nfs/dbraw/zinc/18/39/76/552183976.db2.gz BAMXMDYXYXJOFF-GFCCVEGCSA-N 1 0 378.479 2.945 20 5 GFBDRO CCc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000180942500 552240955 /nfs/dbraw/zinc/24/09/55/552240955.db2.gz XUEGIQYOAXCGQL-GFCCVEGCSA-N 1 0 383.495 2.848 20 5 GFBDRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181641847 552263398 /nfs/dbraw/zinc/26/33/98/552263398.db2.gz AOWVDWZOLUVPHR-CABCVRRESA-N 1 0 384.479 2.532 20 5 GFBDRO CC1(C)COCCN1CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182626714 552288830 /nfs/dbraw/zinc/28/88/30/552288830.db2.gz RLONWUMPEXGRRE-UHFFFAOYSA-N 1 0 387.889 2.567 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246094017 553102068 /nfs/dbraw/zinc/10/20/68/553102068.db2.gz GXTCOFRACPNJAI-NHYWBVRUSA-N 1 0 389.905 2.907 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000252657511 553150310 /nfs/dbraw/zinc/15/03/10/553150310.db2.gz ZYMQJWXJUVZSRI-TZMCWYRMSA-N 1 0 387.889 2.661 20 5 GFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000261692385 553156444 /nfs/dbraw/zinc/15/64/44/553156444.db2.gz DFRGSQOOUHRVMO-SWKMLJDHSA-N 1 0 382.258 2.993 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370382288 563241953 /nfs/dbraw/zinc/24/19/53/563241953.db2.gz RNCGACWNYWYNJB-BLLLJJGKSA-N 1 0 381.479 2.628 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371228754 563269325 /nfs/dbraw/zinc/26/93/25/563269325.db2.gz HUFMVTDISORQPE-MRXNPFEDSA-N 1 0 396.285 2.890 20 5 GFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 ZINC000279511826 563298814 /nfs/dbraw/zinc/29/88/14/563298814.db2.gz NROLUEHKWQBSOB-SNVBAGLBSA-N 1 0 380.388 2.917 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000297190681 563318936 /nfs/dbraw/zinc/31/89/36/563318936.db2.gz UHBMVXSHOBUKEP-AWEZNQCLSA-N 1 0 394.280 2.618 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000375550134 563409569 /nfs/dbraw/zinc/40/95/69/563409569.db2.gz ZSQLJQSHBKZUAY-ZDUSSCGKSA-N 1 0 381.230 2.835 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Br)c1 ZINC000301803199 563412776 /nfs/dbraw/zinc/41/27/76/563412776.db2.gz CYSWHOJTRLQHRA-AWEZNQCLSA-N 1 0 399.289 2.834 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000425404976 563420659 /nfs/dbraw/zinc/42/06/59/563420659.db2.gz KNOHRFGHPKKFMD-UHFFFAOYSA-N 1 0 398.301 2.902 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000320267916 563446396 /nfs/dbraw/zinc/44/63/96/563446396.db2.gz KTYUDYMBOJVFHB-OAHLLOKOSA-N 1 0 381.226 2.887 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000324705431 563452961 /nfs/dbraw/zinc/45/29/61/563452961.db2.gz ZOWUEZFIRGKLLH-INIZCTEOSA-N 1 0 395.253 2.929 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000408100140 563544637 /nfs/dbraw/zinc/54/46/37/563544637.db2.gz QJTITMKPXRUHNS-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(CC(F)F)CC1 ZINC000288450916 563643590 /nfs/dbraw/zinc/64/35/90/563643590.db2.gz IISFFFZNDUGQOS-UHFFFAOYSA-N 1 0 375.803 2.884 20 5 GFBDRO C[C@@H](CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[NH+](C)C ZINC000412387678 563655933 /nfs/dbraw/zinc/65/59/33/563655933.db2.gz FKEHDIVHIYVCBY-VIFPVBQESA-N 1 0 386.239 2.767 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290815539 563722831 /nfs/dbraw/zinc/72/28/31/563722831.db2.gz SNDXSPLYLRNABN-LLVKDONJSA-N 1 0 393.868 2.740 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363517271 563725182 /nfs/dbraw/zinc/72/51/82/563725182.db2.gz ZOZXNLFHONBVRV-WDEREUQCSA-N 1 0 375.397 2.630 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415709977 563792519 /nfs/dbraw/zinc/79/25/19/563792519.db2.gz YTHLWHSRNSQUFR-JFGNBEQYSA-N 1 0 383.246 2.867 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366418255 563807372 /nfs/dbraw/zinc/80/73/72/563807372.db2.gz MIXZDZKCRSUXFW-CZUORRHYSA-N 1 0 396.285 2.890 20 5 GFBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000416558329 563848707 /nfs/dbraw/zinc/84/87/07/563848707.db2.gz IPHDEKICSCSSTL-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000447244698 563877931 /nfs/dbraw/zinc/87/79/31/563877931.db2.gz KNMYQDYJHSAWHP-PTOFAABTSA-N 1 0 394.280 2.650 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158478 563894748 /nfs/dbraw/zinc/89/47/48/563894748.db2.gz DLFCWKVBUNWIHC-CYBMUJFWSA-N 1 0 389.905 2.895 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000565049378 564263692 /nfs/dbraw/zinc/26/36/92/564263692.db2.gz PIIKLGFUESUSON-UHFFFAOYSA-N 1 0 398.301 2.684 20 5 GFBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476620973 564348462 /nfs/dbraw/zinc/34/84/62/564348462.db2.gz XNZWDRRUMSUQOV-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000515739899 564487020 /nfs/dbraw/zinc/48/70/20/564487020.db2.gz IQOWFZJIVUTFCF-LBPRGKRZSA-N 1 0 387.889 2.743 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000480896149 564494716 /nfs/dbraw/zinc/49/47/16/564494716.db2.gz JGBCVGXMUNZHOA-BDJLRTHQSA-N 1 0 383.495 2.934 20 5 GFBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000517565544 564536623 /nfs/dbraw/zinc/53/66/23/564536623.db2.gz IEJAWVKCKHMPPW-JTQLQIEISA-N 1 0 382.269 2.794 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000518658880 564559465 /nfs/dbraw/zinc/55/94/65/564559465.db2.gz ZERAGMALEPVPRU-NEPJUHHUSA-N 1 0 375.878 2.789 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000520134189 564597922 /nfs/dbraw/zinc/59/79/22/564597922.db2.gz JXIDMODHGLSXMG-GFCCVEGCSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000520778135 564612962 /nfs/dbraw/zinc/61/29/62/564612962.db2.gz ZNDUSOWAHUJZNC-ZDUSSCGKSA-N 1 0 387.889 2.806 20 5 GFBDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531696 564642708 /nfs/dbraw/zinc/64/27/08/564642708.db2.gz ONDJRUUNSDQUDN-OLZOCXBDSA-N 1 0 384.483 2.530 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000573787755 564654255 /nfs/dbraw/zinc/65/42/55/564654255.db2.gz MZLSKHUXAKISDZ-AWEZNQCLSA-N 1 0 387.221 2.779 20 5 GFBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000573801621 564655264 /nfs/dbraw/zinc/65/52/64/564655264.db2.gz FPVIJNGYCMXCPX-SNVBAGLBSA-N 1 0 381.376 2.506 20 5 GFBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000523862567 564673964 /nfs/dbraw/zinc/67/39/64/564673964.db2.gz WGMMFNUEVXHOQY-CQSZACIVSA-N 1 0 377.894 2.893 20 5 GFBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635275 564855742 /nfs/dbraw/zinc/85/57/42/564855742.db2.gz UCZSQMJREGJEET-TVQRCGJNSA-N 1 0 378.210 2.696 20 5 GFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000500261668 564949141 /nfs/dbraw/zinc/94/91/41/564949141.db2.gz LEZTWCARTHQAQW-LBPRGKRZSA-N 1 0 387.278 2.689 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000585698384 565105829 /nfs/dbraw/zinc/10/58/29/565105829.db2.gz QLCAGKMFKSFTET-UHFFFAOYSA-N 1 0 396.245 2.676 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592390569 565273935 /nfs/dbraw/zinc/27/39/35/565273935.db2.gz KBSZWBGPJOXBBF-STQMWFEESA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000595116349 565448818 /nfs/dbraw/zinc/44/88/18/565448818.db2.gz QGXCEYLDTRXDIL-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409255 565474357 /nfs/dbraw/zinc/47/43/57/565474357.db2.gz CPXXTWYPADNDSV-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000595947700 565501513 /nfs/dbraw/zinc/50/15/13/565501513.db2.gz WAHRZUIQEGYBIK-UHFFFAOYSA-N 1 0 386.239 2.897 20 5 GFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714811 565572091 /nfs/dbraw/zinc/57/20/91/565572091.db2.gz JUHMHZHSDVBQHN-KRWDZBQOSA-N 1 0 396.285 2.844 20 5 GFBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCC2 ZINC000599101838 565656963 /nfs/dbraw/zinc/65/69/63/565656963.db2.gz IJFXMFVELYWVEJ-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681894 565696452 /nfs/dbraw/zinc/69/64/52/565696452.db2.gz DMZSPWDVVAIAKH-ZLKJLUDKSA-N 1 0 388.205 2.545 20 5 GFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600313043 565723277 /nfs/dbraw/zinc/72/32/77/565723277.db2.gz HGZGABKUDWSCMG-LBPRGKRZSA-N 1 0 384.274 2.748 20 5 GFBDRO O=C1C[C@H]([C@@H]2CCCCN2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493003 565850962 /nfs/dbraw/zinc/85/09/62/565850962.db2.gz GOGKOTVRORWJTD-CABZTGNLSA-N 1 0 388.287 2.909 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000602496620 565852799 /nfs/dbraw/zinc/85/27/99/565852799.db2.gz OKCMOXIJHOPTGM-VXGBXAGGSA-N 1 0 382.258 2.819 20 5 GFBDRO CSc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538312 565854209 /nfs/dbraw/zinc/85/42/09/565854209.db2.gz CBDNRUCBYJCZCO-QWRGUYRKSA-N 1 0 377.388 2.916 20 5 GFBDRO Cn1cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c([N+](=O)[O-])n1 ZINC000602790785 565867728 /nfs/dbraw/zinc/86/77/28/565867728.db2.gz KAUCNLYSKVFOEV-UHFFFAOYSA-N 1 0 395.257 2.886 20 5 GFBDRO COC1CC[NH+](CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000612302661 566157669 /nfs/dbraw/zinc/15/76/69/566157669.db2.gz YPFHTNZLGSRZDC-UHFFFAOYSA-N 1 0 387.889 2.567 20 5 GFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821597919 599107707 /nfs/dbraw/zinc/10/77/07/599107707.db2.gz LGGIFHKHTPYVFJ-MRXNPFEDSA-N 1 0 393.451 2.733 20 5 GFBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735859550 598237655 /nfs/dbraw/zinc/23/76/55/598237655.db2.gz WPTRCKUAPNLQPP-UHFFFAOYSA-N 1 0 382.428 2.622 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705586 599476118 /nfs/dbraw/zinc/47/61/18/599476118.db2.gz VNYSTYYHOXGQPM-GFCCVEGCSA-N 1 0 382.428 2.609 20 5 GFBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000822497965 660346776 /nfs/dbraw/zinc/34/67/76/660346776.db2.gz QBZOEDZIILKSAE-UHFFFAOYSA-N 1 0 386.290 2.900 20 5 GFBDRO CC(C)[NH+](CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br)C(C)C ZINC000826569773 660457535 /nfs/dbraw/zinc/45/75/35/660457535.db2.gz TZUDQVQVASDOLE-UHFFFAOYSA-N 1 0 387.278 2.991 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1Cl ZINC000830435456 660656789 /nfs/dbraw/zinc/65/67/89/660656789.db2.gz TZNIHETXSWPZMU-JTQLQIEISA-N 1 0 394.280 2.664 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000832761840 660798924 /nfs/dbraw/zinc/79/89/24/660798924.db2.gz RVCXUBQVLLSELA-LBPRGKRZSA-N 1 0 375.878 2.660 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)s1 ZINC000066001327 654892591 /nfs/dbraw/zinc/89/25/91/654892591.db2.gz ATFUHDKAVXFALO-UHFFFAOYSA-N 1 0 387.527 2.933 20 5 GFBDRO CC(C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)NS(C)(=O)=O ZINC000068989881 654971040 /nfs/dbraw/zinc/97/10/40/654971040.db2.gz ZVSWNYXWDLVUHK-UHFFFAOYSA-N 1 0 383.495 2.741 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069124892 654974139 /nfs/dbraw/zinc/97/41/39/654974139.db2.gz KOFRYQGVPNZLSQ-AWEZNQCLSA-N 1 0 387.889 2.887 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)C1 ZINC000839518462 661089705 /nfs/dbraw/zinc/08/97/05/661089705.db2.gz BZCGVZAQSBMZJQ-OAHLLOKOSA-N 1 0 397.317 2.569 20 5 GFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119585402 655307929 /nfs/dbraw/zinc/30/79/29/655307929.db2.gz XRWGVVAHPUMQLA-CHWSQXEVSA-N 1 0 375.516 2.693 20 5 GFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119703142 655311666 /nfs/dbraw/zinc/31/16/66/655311666.db2.gz TZOXHRUVPBJPOG-UHFFFAOYSA-N 1 0 383.495 2.929 20 5 GFBDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000120111734 655328146 /nfs/dbraw/zinc/32/81/46/655328146.db2.gz FUUQCERXMCFCQG-UHFFFAOYSA-N 1 0 387.527 2.978 20 5 GFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027576 655456321 /nfs/dbraw/zinc/45/63/21/655456321.db2.gz RELFOPLCQNIINM-GHMZBOCLSA-N 1 0 389.237 2.724 20 5 GFBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577376351 655458150 /nfs/dbraw/zinc/45/81/50/655458150.db2.gz YITRBEMXQCPNDS-SNVBAGLBSA-N 1 0 386.193 2.574 20 5 GFBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000579012450 655491581 /nfs/dbraw/zinc/49/15/81/655491581.db2.gz VSZJTBGEUOHZPS-LBPRGKRZSA-N 1 0 378.210 2.839 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)cc1 ZINC000751564853 655830987 /nfs/dbraw/zinc/83/09/87/655830987.db2.gz LXXDIVCNJZFAGF-HOTGVXAUSA-N 1 0 381.226 2.714 20 5 GFBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752250542 655841351 /nfs/dbraw/zinc/84/13/51/655841351.db2.gz IORMZPOBHQYVBE-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000763622234 656088485 /nfs/dbraw/zinc/08/84/85/656088485.db2.gz ALTQHKWABZZOIV-UHFFFAOYSA-N 1 0 375.466 2.785 20 5 GFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Br ZINC000784613315 657318989 /nfs/dbraw/zinc/31/89/89/657318989.db2.gz ALAKDBOPNZHRMF-PHIMTYICSA-N 1 0 398.257 2.532 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000796117311 658893809 /nfs/dbraw/zinc/89/38/09/658893809.db2.gz XBJYWNBSJXKBFX-CHWSQXEVSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798163996 659077498 /nfs/dbraw/zinc/07/74/98/659077498.db2.gz CFNDAIKRAXSHHJ-IJLUTSLNSA-N 1 0 399.289 2.849 20 5 GFBDRO CN(c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000798394659 659099088 /nfs/dbraw/zinc/09/90/88/659099088.db2.gz MQVBXGLTMQGUMF-OAHLLOKOSA-N 1 0 397.317 2.962 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000802654655 659492920 /nfs/dbraw/zinc/49/29/20/659492920.db2.gz LACOCZHSBDOCPS-CQSZACIVSA-N 1 0 398.301 2.902 20 5 GFBDRO Cn1nc(C(F)(F)F)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1Cl ZINC000809728405 659937372 /nfs/dbraw/zinc/93/73/72/659937372.db2.gz WJEWZPVOPAMIAJ-UHFFFAOYSA-N 1 0 377.754 2.966 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809813020 659940913 /nfs/dbraw/zinc/94/09/13/659940913.db2.gz OVKLSGYXEPFQCE-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[N@H+](C)C1CC1 ZINC000809814526 659941387 /nfs/dbraw/zinc/94/13/87/659941387.db2.gz PFTFKFVSFAPLGB-MRVPVSSYSA-N 1 0 382.269 2.663 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820649 659942733 /nfs/dbraw/zinc/94/27/33/659942733.db2.gz FHFFDENOUDXHMM-LLVKDONJSA-N 1 0 393.868 2.882 20 5 GFBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809835229 659947158 /nfs/dbraw/zinc/94/71/58/659947158.db2.gz IVZVBUJTAGWTEO-SECBINFHSA-N 1 0 384.285 2.910 20 5 GFBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813442621 660054370 /nfs/dbraw/zinc/05/43/70/660054370.db2.gz CZPLCPWGQLWZMH-NSHDSACASA-N 1 0 376.240 2.742 20 5 GFBDRO O=C(CNc1cc(Br)ccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000814261613 660075324 /nfs/dbraw/zinc/07/53/24/660075324.db2.gz CPUOHWZEQIKSFI-UHFFFAOYSA-N 1 0 399.289 2.761 20 5 GFBDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841977129 661318692 /nfs/dbraw/zinc/31/86/92/661318692.db2.gz LDNIOVSIPSNECT-LLVKDONJSA-N 1 0 397.273 2.567 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000841982012 661318937 /nfs/dbraw/zinc/31/89/37/661318937.db2.gz MULOVODEEUZVDM-GHMZBOCLSA-N 1 0 397.273 2.695 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000843454080 661381924 /nfs/dbraw/zinc/38/19/24/661381924.db2.gz JMANMKQENNRDEH-JFUSQASVSA-N 1 0 386.221 2.696 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000849411939 661718491 /nfs/dbraw/zinc/71/84/91/661718491.db2.gz ZGGPDFYPNWXURN-SNVBAGLBSA-N 1 0 393.868 2.786 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850589911 661782559 /nfs/dbraw/zinc/78/25/59/661782559.db2.gz QGKRYLBFKDIEKY-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000856764049 662043185 /nfs/dbraw/zinc/04/31/85/662043185.db2.gz OCKGIVOSNMKSHI-UHFFFAOYSA-N 1 0 384.274 2.688 20 5 GFBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000858715489 662120006 /nfs/dbraw/zinc/12/00/06/662120006.db2.gz PDJYCKXHLMZGLR-NSHDSACASA-N 1 0 377.413 2.735 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000865590016 662430881 /nfs/dbraw/zinc/43/08/81/662430881.db2.gz SWGDWSCGZBQCAR-CQSZACIVSA-N 1 0 396.285 2.987 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868849527 662621893 /nfs/dbraw/zinc/62/18/93/662621893.db2.gz KLUXXVRWUKTBPM-LBPRGKRZSA-N 1 0 384.274 2.748 20 5 GFBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827212 662837639 /nfs/dbraw/zinc/83/76/39/662837639.db2.gz YBJILFMRYLHTNA-KBPBESRZSA-N 1 0 382.258 2.595 20 5 GFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913275252 664330751 /nfs/dbraw/zinc/33/07/51/664330751.db2.gz SSQRPWAEOPDFGS-HOTGVXAUSA-N 1 0 382.258 2.771 20 5 GFBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913282277 664331415 /nfs/dbraw/zinc/33/14/15/664331415.db2.gz FAFFHVCRYURFFR-HOTGVXAUSA-N 1 0 382.258 2.771 20 5 GFBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000922573706 664607305 /nfs/dbraw/zinc/60/73/05/664607305.db2.gz WTKLASKPPYWNTE-UHFFFAOYSA-N 1 0 375.878 2.542 20 5 GFBDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000927696320 664714147 /nfs/dbraw/zinc/71/41/47/664714147.db2.gz WHCZTHHLAOOSEF-UHFFFAOYSA-N 1 0 393.241 2.677 20 5 GFBDRO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840577 720519986 /nfs/dbraw/zinc/51/99/86/720519986.db2.gz WJQFHHVQEYLUIG-RCCFBDPRSA-N 1 0 384.484 2.873 20 5 GFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839414 720520519 /nfs/dbraw/zinc/52/05/19/720520519.db2.gz UDAWPBMUSJCJQU-BHYGNILZSA-N 1 0 388.447 2.703 20 5 GFBDRO COc1cc(C)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164859141 720956549 /nfs/dbraw/zinc/95/65/49/720956549.db2.gz KQRHHJHFITZMIA-AWEZNQCLSA-N 1 0 388.472 2.925 20 5 GFBDRO O=c1[nH]cnc2cc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000071952813 212057669 /nfs/dbraw/zinc/05/76/69/212057669.db2.gz LEPXEJQKUSPBQZ-HNNXBMFYSA-N 1 0 379.420 2.908 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121826489 551243305 /nfs/dbraw/zinc/24/33/05/551243305.db2.gz PAZGCSSKQCPNOZ-GFCCVEGCSA-N 1 0 382.258 2.915 20 5 GFBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000168054564 551634195 /nfs/dbraw/zinc/63/41/95/551634195.db2.gz MTRGDQQRGIKWTQ-SNVBAGLBSA-N 1 0 381.376 2.559 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173359191 552083848 /nfs/dbraw/zinc/08/38/48/552083848.db2.gz PNXGKISDTJGOLA-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177003439 552149224 /nfs/dbraw/zinc/14/92/24/552149224.db2.gz KHPDAIDVDBEJFT-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO CN(C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000179075429 552183711 /nfs/dbraw/zinc/18/37/11/552183711.db2.gz VXSVQCOKTDMECN-SECBINFHSA-N 1 0 384.223 2.521 20 5 GFBDRO NC(=O)[C@@H](NCCNc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000179215441 552187434 /nfs/dbraw/zinc/18/74/34/552187434.db2.gz SVCMVYUFFDAQNB-HNNXBMFYSA-N 1 0 393.241 2.585 20 5 GFBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000180053565 552210720 /nfs/dbraw/zinc/21/07/20/552210720.db2.gz MGGXFFYVRHNLDP-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181442831 552257093 /nfs/dbraw/zinc/25/70/93/552257093.db2.gz NAMUCNQPEKNQMZ-LLVKDONJSA-N 1 0 396.245 2.561 20 5 GFBDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000190443550 552496573 /nfs/dbraw/zinc/49/65/73/552496573.db2.gz LHGNNMSZERZXBI-NSHDSACASA-N 1 0 396.241 2.878 20 5 GFBDRO O=C(NCC[NH2+]C1CC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237810218 553082121 /nfs/dbraw/zinc/08/21/21/553082121.db2.gz AHASPDBJCDBFST-UHFFFAOYSA-N 1 0 384.223 2.569 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246094021 553102168 /nfs/dbraw/zinc/10/21/68/553102168.db2.gz GXTCOFRACPNJAI-XHDPSFHLSA-N 1 0 389.905 2.907 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261734681 553157400 /nfs/dbraw/zinc/15/74/00/553157400.db2.gz HWYQMCQHLPMLMZ-AOOOYVTPSA-N 1 0 386.221 2.568 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418948360 563231964 /nfs/dbraw/zinc/23/19/64/563231964.db2.gz TXPBIXDAIWWBCU-JTQLQIEISA-N 1 0 390.225 2.515 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1Cl ZINC000295659587 563256597 /nfs/dbraw/zinc/25/65/97/563256597.db2.gz AIJJLAPLIAUXEX-UHFFFAOYSA-N 1 0 394.280 2.807 20 5 GFBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420470837 563265283 /nfs/dbraw/zinc/26/52/83/563265283.db2.gz XWNYIJSGWMRSSU-CQSZACIVSA-N 1 0 383.857 2.789 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000374115443 563362615 /nfs/dbraw/zinc/36/26/15/563362615.db2.gz RHSGXIASNIKJJI-OLZOCXBDSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C(NCc1cnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1Br ZINC000375388554 563402802 /nfs/dbraw/zinc/40/28/02/563402802.db2.gz FURILDYDMCZTJU-UHFFFAOYSA-N 1 0 379.214 2.820 20 5 GFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000375900970 563422494 /nfs/dbraw/zinc/42/24/94/563422494.db2.gz KLFRZZRZWGYGQY-IUODEOHRSA-N 1 0 396.285 2.985 20 5 GFBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000331275672 563543595 /nfs/dbraw/zinc/54/35/95/563543595.db2.gz XOZGPQKRIXFGLS-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286337654 563557190 /nfs/dbraw/zinc/55/71/90/563557190.db2.gz RUVLDGSLCAFAEE-INIZCTEOSA-N 1 0 394.269 2.869 20 5 GFBDRO O=C(CNc1ccc([N+](=O)[O-])cc1Br)NCC[NH+]1CCCCCC1 ZINC000431508312 563561327 /nfs/dbraw/zinc/56/13/27/563561327.db2.gz XTVMSBVHALCEKZ-UHFFFAOYSA-N 1 0 399.289 2.761 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331887637 563565422 /nfs/dbraw/zinc/56/54/22/563565422.db2.gz JOWUFMSQNVZBLZ-DOMZBBRYSA-N 1 0 387.889 2.709 20 5 GFBDRO CSc1cccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000332084187 563575020 /nfs/dbraw/zinc/57/50/20/563575020.db2.gz PLWUWOAAVUQCRB-HIFRSBDPSA-N 1 0 381.523 2.969 20 5 GFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000290971458 563727751 /nfs/dbraw/zinc/72/77/51/563727751.db2.gz XLHHSJLXTDSPLO-GFCCVEGCSA-N 1 0 377.224 2.913 20 5 GFBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291399854 563741774 /nfs/dbraw/zinc/74/17/74/563741774.db2.gz BEOLUWBHXYJQSN-UHFFFAOYSA-N 1 0 376.240 2.696 20 5 GFBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710497 563792899 /nfs/dbraw/zinc/79/28/99/563792899.db2.gz ZGGJPZVZSNVCOD-QPUJVOFHSA-N 1 0 387.234 2.592 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000366656526 563816748 /nfs/dbraw/zinc/81/67/48/563816748.db2.gz SRAKDOJOSHYUHV-MRXNPFEDSA-N 1 0 395.257 2.924 20 5 GFBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416359095 563817773 /nfs/dbraw/zinc/81/77/73/563817773.db2.gz IEZZFUDIMBYHFW-UHFFFAOYSA-N 1 0 383.392 2.624 20 5 GFBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCc3sccc32)c1 ZINC000537941981 564178280 /nfs/dbraw/zinc/17/82/80/564178280.db2.gz KOJWOZWHAVQDPP-HNNXBMFYSA-N 1 0 381.479 2.602 20 5 GFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000540142691 564241064 /nfs/dbraw/zinc/24/10/64/564241064.db2.gz LLQYNVSAYORSDB-CYBMUJFWSA-N 1 0 389.543 2.773 20 5 GFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2C1 ZINC000565945461 564303367 /nfs/dbraw/zinc/30/33/67/564303367.db2.gz GUGVRFPPSRAGLG-GFCCVEGCSA-N 1 0 391.225 2.821 20 5 GFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000543504812 564353512 /nfs/dbraw/zinc/35/35/12/564353512.db2.gz RHLJTPXEUAKEQQ-GHMZBOCLSA-N 1 0 386.246 2.701 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452091088 564391141 /nfs/dbraw/zinc/39/11/41/564391141.db2.gz AXNDKSRMBIBHNV-LBPRGKRZSA-N 1 0 375.878 2.660 20 5 GFBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000480198698 564463416 /nfs/dbraw/zinc/46/34/16/564463416.db2.gz SXFQPKZJHGKNGA-NSHDSACASA-N 1 0 383.392 2.584 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000480759193 564486488 /nfs/dbraw/zinc/48/64/88/564486488.db2.gz UFAWYCKZGNXJAQ-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO CSC1(CNc2ncc(Br)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000516221650 564496779 /nfs/dbraw/zinc/49/67/79/564496779.db2.gz PDJWAIIJEMZCJU-UHFFFAOYSA-N 1 0 375.292 2.992 20 5 GFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000572028985 564578297 /nfs/dbraw/zinc/57/82/97/564578297.db2.gz MHKWLZUZRICDHJ-OAHLLOKOSA-N 1 0 395.253 2.929 20 5 GFBDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000548939129 564581393 /nfs/dbraw/zinc/58/13/93/564581393.db2.gz ZZPZZXQUAKGXMW-UHFFFAOYSA-N 1 0 388.262 2.827 20 5 GFBDRO C[NH+](C)CC1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000525193081 564695190 /nfs/dbraw/zinc/69/51/90/564695190.db2.gz SZLWOCBTYYIZLW-UHFFFAOYSA-N 1 0 389.237 2.977 20 5 GFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCn2cc(Br)cn2)n1 ZINC000556922955 564846904 /nfs/dbraw/zinc/84/69/04/564846904.db2.gz ZFDBBMIHOWOERO-CHWSQXEVSA-N 1 0 383.250 2.524 20 5 GFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000498556258 564901954 /nfs/dbraw/zinc/90/19/54/564901954.db2.gz WMHIVDOOTJXEQQ-NWDGAFQWSA-N 1 0 384.274 2.841 20 5 GFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000498556261 564901970 /nfs/dbraw/zinc/90/19/70/564901970.db2.gz WMHIVDOOTJXEQQ-VXGBXAGGSA-N 1 0 384.274 2.841 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCN2CCCCC2)c1 ZINC000558490892 564904259 /nfs/dbraw/zinc/90/42/59/564904259.db2.gz LGUFLQPEGINYKK-UHFFFAOYSA-N 1 0 389.237 2.775 20 5 GFBDRO COCC[NH2+]C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000583941709 564913264 /nfs/dbraw/zinc/91/32/64/564913264.db2.gz DLLGKEJDBUUBOA-UHFFFAOYSA-N 1 0 387.889 2.567 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000467394561 564961877 /nfs/dbraw/zinc/96/18/77/564961877.db2.gz PPIIEXJWNXEZID-OBJOEFQTSA-N 1 0 387.527 2.991 20 5 GFBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000470450627 565047296 /nfs/dbraw/zinc/04/72/96/565047296.db2.gz DEXMHENTDQJPAV-UHFFFAOYSA-N 1 0 382.262 2.659 20 5 GFBDRO CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000613916368 565085618 /nfs/dbraw/zinc/08/56/18/565085618.db2.gz AHZGZMLHTAHTAT-CHWSQXEVSA-N 1 0 387.303 2.768 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000589511518 565165699 /nfs/dbraw/zinc/16/56/99/565165699.db2.gz QXTYMTOUEMPNGO-UHFFFAOYSA-N 1 0 386.832 2.993 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000592256085 565264423 /nfs/dbraw/zinc/26/44/23/565264423.db2.gz XKXYYIDZIOQQEX-NWDGAFQWSA-N 1 0 382.258 2.819 20 5 GFBDRO Cc1c(Br)c(=O)n(Cc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000593013179 565307882 /nfs/dbraw/zinc/30/78/82/565307882.db2.gz HEKJYPBCAJXEFN-UHFFFAOYSA-N 1 0 378.226 2.521 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593666762 565354849 /nfs/dbraw/zinc/35/48/49/565354849.db2.gz RFXFQEMAGOYPMW-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000599002963 565652741 /nfs/dbraw/zinc/65/27/41/565652741.db2.gz FYHJQUGKTCXCOU-MGCOHNPYSA-N 1 0 394.225 2.971 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000599704877 565697318 /nfs/dbraw/zinc/69/73/18/565697318.db2.gz WQYGAZPMUZRFHU-DGCLKSJQSA-N 1 0 382.258 2.914 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC/C=C\c2ccc(Br)cc2)c1 ZINC000600747627 565748616 /nfs/dbraw/zinc/74/86/16/565748616.db2.gz QEHSDQGSPKDTOQ-SSCKWRJFSA-N 1 0 395.257 2.608 20 5 GFBDRO Cc1cc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601382592 565780135 /nfs/dbraw/zinc/78/01/35/565780135.db2.gz DAUQXUKRHLXYSU-UHFFFAOYSA-N 1 0 375.516 2.707 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000602496617 565852355 /nfs/dbraw/zinc/85/23/55/565852355.db2.gz OKCMOXIJHOPTGM-NWDGAFQWSA-N 1 0 382.258 2.819 20 5 GFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267441 606124278 /nfs/dbraw/zinc/12/42/78/606124278.db2.gz NYVZVSZVGAMCER-CYBMUJFWSA-N 1 0 382.428 2.609 20 5 GFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820920069 606621527 /nfs/dbraw/zinc/62/15/27/606621527.db2.gz KARTWENAPSRQIN-SJCJKPOMSA-N 1 0 395.423 2.843 20 5 GFBDRO CC[NH+](CC)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000821182575 607167422 /nfs/dbraw/zinc/16/74/22/607167422.db2.gz WWFCCKFZGCDXJQ-HNNXBMFYSA-N 1 0 396.455 2.535 20 5 GFBDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824584830 608468421 /nfs/dbraw/zinc/46/84/21/608468421.db2.gz IDIWQJOOVYHFON-JTQLQIEISA-N 1 0 387.425 2.516 20 5 GFBDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826176589 608564215 /nfs/dbraw/zinc/56/42/15/608564215.db2.gz VRGCXMVRJGXOLH-LBPRGKRZSA-N 1 0 384.396 2.513 20 5 GFBDRO O=[N+]([O-])c1ccc2c(I)nn(CC[C@H]3CC[NH2+]C3)c2c1 ZINC000818620106 660230315 /nfs/dbraw/zinc/23/03/15/660230315.db2.gz RAXQAACQUCPTTR-SECBINFHSA-N 1 0 386.193 2.549 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000819275116 660253321 /nfs/dbraw/zinc/25/33/21/660253321.db2.gz REBMYGDINNSZKZ-HNNXBMFYSA-N 1 0 383.246 2.657 20 5 GFBDRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2Br)c([N+](=O)[O-])cc1O ZINC000825338094 660421511 /nfs/dbraw/zinc/42/15/11/660421511.db2.gz LPHLVKJAAJSLGF-HNNXBMFYSA-N 1 0 397.225 2.895 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[NH+](C2CCCCC2)CC1 ZINC000827022905 660475755 /nfs/dbraw/zinc/47/57/55/660475755.db2.gz LXRQFZJWIHCCDX-UHFFFAOYSA-N 1 0 397.273 2.843 20 5 GFBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830397822 660652337 /nfs/dbraw/zinc/65/23/37/660652337.db2.gz WYKCUECYIKFYRT-SECBINFHSA-N 1 0 384.285 2.910 20 5 GFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000831217879 660704186 /nfs/dbraw/zinc/70/41/86/660704186.db2.gz NGAGVQFFNQZDSN-VHSXEESVSA-N 1 0 385.262 2.551 20 5 GFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000065972284 654891582 /nfs/dbraw/zinc/89/15/82/654891582.db2.gz PNVMTAFNEOUANA-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000131246522 654900230 /nfs/dbraw/zinc/90/02/30/654900230.db2.gz YTFJHPSNXAAVOF-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000068902489 654969287 /nfs/dbraw/zinc/96/92/87/654969287.db2.gz LIAQJEXKGMJLGQ-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)C1 ZINC000269106283 654997869 /nfs/dbraw/zinc/99/78/69/654997869.db2.gz BUOKDXYTWPBBEU-GFCCVEGCSA-N 1 0 378.479 2.945 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273399545 655142032 /nfs/dbraw/zinc/14/20/32/655142032.db2.gz GISYDBZCWXGAFO-LBPRGKRZSA-N 1 0 389.905 2.907 20 5 GFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1Br ZINC000839609444 661095557 /nfs/dbraw/zinc/09/55/57/661095557.db2.gz AWSLDVSTZUKZNU-GUTXKFCHSA-N 1 0 385.258 2.719 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000176681413 655252096 /nfs/dbraw/zinc/25/20/96/655252096.db2.gz VIFNDWJHBQNQMH-ZDUSSCGKSA-N 1 0 387.889 2.806 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000176723492 655253533 /nfs/dbraw/zinc/25/35/33/655253533.db2.gz OVTQSXJXBSMVEW-OCCSQVGLSA-N 1 0 389.905 2.907 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000116907583 655256824 /nfs/dbraw/zinc/25/68/24/655256824.db2.gz NLOXFGDGRADESC-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246258550 655429595 /nfs/dbraw/zinc/42/95/95/655429595.db2.gz KQPQDKRUSDXKQO-GXTWGEPZSA-N 1 0 387.889 2.661 20 5 GFBDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577812476 655467684 /nfs/dbraw/zinc/46/76/84/655467684.db2.gz FBVMWZSDTVUFMG-MLGOLLRUSA-N 1 0 397.273 2.526 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000596222187 655515002 /nfs/dbraw/zinc/51/50/02/655515002.db2.gz QUXGVGCAYGNWGI-CYBMUJFWSA-N 1 0 384.274 2.906 20 5 GFBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000752231791 655841028 /nfs/dbraw/zinc/84/10/28/655841028.db2.gz MCJKOCAQKARVPJ-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(C)C ZINC000755007763 655878302 /nfs/dbraw/zinc/87/83/02/655878302.db2.gz LYURBXFXQRPTAX-UHFFFAOYSA-N 1 0 376.226 2.957 20 5 GFBDRO C[NH+]1CCC2(CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000755823397 655889450 /nfs/dbraw/zinc/88/94/50/655889450.db2.gz OICNECBQGCRGDV-UHFFFAOYSA-N 1 0 382.258 2.597 20 5 GFBDRO C[NH+](C)CC1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000759138752 655948748 /nfs/dbraw/zinc/94/87/48/655948748.db2.gz FOECXWPPBQEKAC-UHFFFAOYSA-N 1 0 375.878 2.649 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000841160238 661240175 /nfs/dbraw/zinc/24/01/75/661240175.db2.gz AJJPMFMKAVUAPF-SUZMYJTESA-N 1 0 383.246 2.948 20 5 GFBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000841161939 661240479 /nfs/dbraw/zinc/24/04/79/661240479.db2.gz QYDDMFRAILMCCD-HBNTYKKESA-N 1 0 383.246 2.867 20 5 GFBDRO Cc1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1F ZINC000771756226 656361210 /nfs/dbraw/zinc/36/12/10/656361210.db2.gz OQBYSHBXRGELLP-AWEZNQCLSA-N 1 0 375.466 2.687 20 5 GFBDRO C[NH+](C)CC1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCCC1 ZINC000774464099 656529514 /nfs/dbraw/zinc/52/95/14/656529514.db2.gz GPNAQILYUOZPJB-UHFFFAOYSA-N 1 0 385.262 2.604 20 5 GFBDRO C[N@H+](CCCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000841527236 661290639 /nfs/dbraw/zinc/29/06/39/661290639.db2.gz LAUGNWQURDYDAB-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077252 657100631 /nfs/dbraw/zinc/10/06/31/657100631.db2.gz DBMPNCDDOZCFDR-HZPDHXFCSA-N 1 0 381.226 2.714 20 5 GFBDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000789765793 657888511 /nfs/dbraw/zinc/88/85/11/657888511.db2.gz SSRKKTRTDKRYFM-BETUJISGSA-N 1 0 386.290 2.898 20 5 GFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000795335283 658807780 /nfs/dbraw/zinc/80/77/80/658807780.db2.gz OXJDVALDDGVTDF-HZPDHXFCSA-N 1 0 399.216 2.853 20 5 GFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798166654 659077826 /nfs/dbraw/zinc/07/78/26/659077826.db2.gz DUOMAVKWVMGKPL-LLVKDONJSA-N 1 0 385.262 2.603 20 5 GFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226741 659085940 /nfs/dbraw/zinc/08/59/40/659085940.db2.gz DROOSTNZODNJRJ-WDEREUQCSA-N 1 0 393.868 2.786 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809806234 659939985 /nfs/dbraw/zinc/93/99/85/659939985.db2.gz HJKXNWZTANJUIE-LLVKDONJSA-N 1 0 393.868 2.930 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000809808384 659940222 /nfs/dbraw/zinc/94/02/22/659940222.db2.gz QZNUFCQXMXBGBM-GHMZBOCLSA-N 1 0 393.868 2.929 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000815013548 660101362 /nfs/dbraw/zinc/10/13/62/660101362.db2.gz BNLMJIMZVQGPKR-NSHDSACASA-N 1 0 391.852 2.636 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000846233081 661539567 /nfs/dbraw/zinc/53/95/67/661539567.db2.gz XSGIHUYUSYCTOC-NEPJUHHUSA-N 1 0 375.878 2.695 20 5 GFBDRO [NH3+]C1(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCCC1 ZINC000851671028 661827988 /nfs/dbraw/zinc/82/79/88/661827988.db2.gz DQSMYGWTCIWDAV-UHFFFAOYSA-N 1 0 397.273 2.697 20 5 GFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000855809245 662008813 /nfs/dbraw/zinc/00/88/13/662008813.db2.gz AFHNXDRTSLCPQN-NSHDSACASA-N 1 0 397.273 2.889 20 5 GFBDRO C[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000856739421 662040232 /nfs/dbraw/zinc/04/02/32/662040232.db2.gz UMVANKGGQUMGTA-DZGCQCFKSA-N 1 0 397.317 2.820 20 5 GFBDRO C[NH+]1CCC2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)CC1 ZINC000857261517 662070778 /nfs/dbraw/zinc/07/07/78/662070778.db2.gz VFRFFLUHMBWVBT-UHFFFAOYSA-N 1 0 382.258 2.915 20 5 GFBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCC2 ZINC000858622973 662117060 /nfs/dbraw/zinc/11/70/60/662117060.db2.gz MUDTZCMITHLYND-UHFFFAOYSA-N 1 0 381.841 2.848 20 5 GFBDRO C[C@@]1(Br)C[C@@H]1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780582 662215155 /nfs/dbraw/zinc/21/51/55/662215155.db2.gz LKBFKNIVUGOWEL-SQWLQELKSA-N 1 0 383.242 2.886 20 5 GFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000862790921 662301830 /nfs/dbraw/zinc/30/18/30/662301830.db2.gz BAQPHXTVHLKPLD-SNVBAGLBSA-N 1 0 388.237 2.958 20 5 GFBDRO O=[N+]([O-])c1nc(Br)n(Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000865389935 662418371 /nfs/dbraw/zinc/41/83/71/662418371.db2.gz ZFVYXXUKVGDLQT-UHFFFAOYSA-N 1 0 380.246 2.983 20 5 GFBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000867194363 662530015 /nfs/dbraw/zinc/53/00/15/662530015.db2.gz SKNYXUQCONQLJR-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867309051 662540998 /nfs/dbraw/zinc/54/09/98/662540998.db2.gz PZNWAIRIMJZNGJ-SCZZXKLOSA-N 1 0 382.269 2.615 20 5 GFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000867631715 662564443 /nfs/dbraw/zinc/56/44/43/662564443.db2.gz PTPIQVFATZUWHH-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867865268 662584232 /nfs/dbraw/zinc/58/42/32/662584232.db2.gz WYAYCSDGYQGNFF-UHFFFAOYSA-N 1 0 375.516 2.645 20 5 GFBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC000872530285 662775322 /nfs/dbraw/zinc/77/53/22/662775322.db2.gz QKDAQIJJAXNQKK-UHFFFAOYSA-N 1 0 387.527 2.994 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1Br ZINC000877623161 662880136 /nfs/dbraw/zinc/88/01/36/662880136.db2.gz YINIBXRCURMSNL-HXUWFJFHSA-N 1 0 395.222 2.819 20 5 GFBDRO COC(=O)N1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000876970669 662868982 /nfs/dbraw/zinc/86/89/82/662868982.db2.gz BBTIMNMKBSFVIC-UHFFFAOYSA-N 1 0 378.248 2.739 20 5 GFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877366754 662874698 /nfs/dbraw/zinc/87/46/98/662874698.db2.gz BBYRYVVUHFRLTL-KWBADKCTSA-N 1 0 377.388 2.671 20 5 GFBDRO CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883065759 663047926 /nfs/dbraw/zinc/04/79/26/663047926.db2.gz VAGITTQVLXOBJR-UHFFFAOYSA-N 1 0 385.262 2.641 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883134190 663050146 /nfs/dbraw/zinc/05/01/46/663050146.db2.gz REYHXHGHQQFXCN-KBPBESRZSA-N 1 0 397.273 2.783 20 5 GFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000886297439 663107789 /nfs/dbraw/zinc/10/77/89/663107789.db2.gz RHZIVEZJOGPNSM-QGZVFWFLSA-N 1 0 392.253 2.762 20 5 GFBDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726794 663261269 /nfs/dbraw/zinc/26/12/69/663261269.db2.gz YCMJNSOYOAQJHP-UHFFFAOYSA-N 1 0 387.278 2.839 20 5 GFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726887 663261459 /nfs/dbraw/zinc/26/14/59/663261459.db2.gz WNWQTMXMMXFZDS-LBPRGKRZSA-N 1 0 399.289 2.841 20 5 GFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892162501 663364342 /nfs/dbraw/zinc/36/43/42/663364342.db2.gz AMYZIEWUXNMWSZ-CYBMUJFWSA-N 1 0 385.262 2.689 20 5 GFBDRO C[NH+](C)C1(C)CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000894851702 663485111 /nfs/dbraw/zinc/48/51/11/663485111.db2.gz QECAXGDQJVHTCX-UHFFFAOYSA-N 1 0 377.413 2.512 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930676735 664775854 /nfs/dbraw/zinc/77/58/54/664775854.db2.gz ZKOQBADALSRNIL-UHFFFAOYSA-N 1 0 398.301 2.684 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000934495593 664908826 /nfs/dbraw/zinc/90/88/26/664908826.db2.gz FBXRCXVOIWRQLW-IRXDYDNUSA-N 1 0 395.253 2.888 20 5 GFBDRO CC1CCC([NH+]2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)CC1 ZINC000115514902 677395358 /nfs/dbraw/zinc/39/53/58/677395358.db2.gz LNYBRZLPASTGFS-UHFFFAOYSA-N 1 0 386.294 2.708 20 5 GFBDRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2 ZINC001164420262 718889300 /nfs/dbraw/zinc/88/93/00/718889300.db2.gz SZDHHKXEADMVSI-RFAUZJTJSA-N 1 0 381.770 2.788 20 5 GFBDRO CC(C)N(C)Cc1nn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2c1CC[NH2+]C2 ZINC001164682435 719617640 /nfs/dbraw/zinc/61/76/40/719617640.db2.gz CZTRSOUBQWRJKH-UHFFFAOYSA-N 1 0 380.452 2.815 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812261 720072531 /nfs/dbraw/zinc/07/25/31/720072531.db2.gz QBGDZHQYHUKYDK-KDOFPFPSSA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812262 720072885 /nfs/dbraw/zinc/07/28/85/720072885.db2.gz QBGDZHQYHUKYDK-KSSFIOAISA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164709661 720095342 /nfs/dbraw/zinc/09/53/42/720095342.db2.gz BZHMPOQQLJYKGD-LJQANCHMSA-N 1 0 397.479 2.892 20 5 GFBDRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840795 720509974 /nfs/dbraw/zinc/50/99/74/720509974.db2.gz XNJCHMIHDIKMMG-OKZBNKHCSA-N 1 0 384.484 2.873 20 5 GFBDRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840792 720510090 /nfs/dbraw/zinc/51/00/90/720510090.db2.gz XNJCHMIHDIKMMG-KZNAEPCWSA-N 1 0 384.484 2.873 20 5 GFBDRO COc1ncnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165026865 721812377 /nfs/dbraw/zinc/81/23/77/721812377.db2.gz RUUJNSBURIFOKC-UAGQMJEPSA-N 1 0 398.467 2.525 20 5 GFBDRO COc1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164952010 722017093 /nfs/dbraw/zinc/01/70/93/722017093.db2.gz FXRSYCZUUOPEIL-UHFFFAOYSA-N 1 0 383.452 2.886 20 5 GFBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119511671 551217161 /nfs/dbraw/zinc/21/71/61/551217161.db2.gz BRKJWUJMHKEAQV-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122468985 551298198 /nfs/dbraw/zinc/29/81/98/551298198.db2.gz QAUUARFCVBDKAR-IUODEOHRSA-N 1 0 387.889 2.661 20 5 GFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Br)c1 ZINC000132820650 551379481 /nfs/dbraw/zinc/37/94/81/551379481.db2.gz OHWASNMCNKYKIK-GJZGRUSLSA-N 1 0 399.289 2.932 20 5 GFBDRO CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171767539 551662517 /nfs/dbraw/zinc/66/25/17/551662517.db2.gz DNWLKBAWUZSDTM-UHFFFAOYSA-N 1 0 383.495 2.741 20 5 GFBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000176794655 552145855 /nfs/dbraw/zinc/14/58/55/552145855.db2.gz XJKIZJKZOVXUHA-UHFFFAOYSA-N 1 0 383.495 2.550 20 5 GFBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+](C2CC2)C1 ZINC000295286763 563240289 /nfs/dbraw/zinc/24/02/89/563240289.db2.gz IEFQJJQSGYHKMJ-NSHDSACASA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868720 563274308 /nfs/dbraw/zinc/27/43/08/563274308.db2.gz XSCJNEFSCVERAB-UWVGGRQHSA-N 1 0 388.287 2.975 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000372960548 563323725 /nfs/dbraw/zinc/32/37/25/563323725.db2.gz GKJLAJDKEHMRPE-JTQLQIEISA-N 1 0 386.221 2.807 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000301443322 563403743 /nfs/dbraw/zinc/40/37/43/563403743.db2.gz JEVWFHMCJSWARU-GFCCVEGCSA-N 1 0 385.205 2.650 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000425410529 563420475 /nfs/dbraw/zinc/42/04/75/563420475.db2.gz XKSDHCLRJQAFBJ-UHFFFAOYSA-N 1 0 377.238 2.977 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c1 ZINC000375987428 563426364 /nfs/dbraw/zinc/42/63/64/563426364.db2.gz KATKUXZRRZYTRK-QWHCGFSZSA-N 1 0 387.889 2.709 20 5 GFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000376412193 563441353 /nfs/dbraw/zinc/44/13/53/563441353.db2.gz HDXCTLXHQIOTLU-MLGOLLRUSA-N 1 0 396.285 2.985 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@@H]21 ZINC000376729790 563451984 /nfs/dbraw/zinc/45/19/84/563451984.db2.gz STWQBZUJRSBWNJ-RNCFNFMXSA-N 1 0 386.221 2.663 20 5 GFBDRO O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C12CCC[NH+]1CCC2 ZINC000286185005 563551675 /nfs/dbraw/zinc/55/16/75/563551675.db2.gz JXRONZYZEBXSDM-UHFFFAOYSA-N 1 0 394.269 2.870 20 5 GFBDRO CCC[N@@H+](Cc1ccccc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441278078 563757420 /nfs/dbraw/zinc/75/74/20/563757420.db2.gz QNQKJULSGZFKLB-OAHLLOKOSA-N 1 0 397.273 2.827 20 5 GFBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000293550973 563818221 /nfs/dbraw/zinc/81/82/21/563818221.db2.gz WRJFGWQLSIBYIN-UHFFFAOYSA-N 1 0 377.272 2.515 20 5 GFBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000366739387 563818691 /nfs/dbraw/zinc/81/86/91/563818691.db2.gz NWYVLMOBBNFZPS-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO C[NH+]1CCN([C@H]2CCCCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000366826973 563820971 /nfs/dbraw/zinc/82/09/71/563820971.db2.gz TYMJOIXFYXTCAW-HNNXBMFYSA-N 1 0 397.317 2.964 20 5 GFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000294330044 563839053 /nfs/dbraw/zinc/83/90/53/563839053.db2.gz XMCWIFNEGMFZPI-MRXNPFEDSA-N 1 0 382.258 2.915 20 5 GFBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449439817 564187004 /nfs/dbraw/zinc/18/70/04/564187004.db2.gz AFBPCVIVAPFOAK-LBPRGKRZSA-N 1 0 383.495 2.741 20 5 GFBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2C1 ZINC000568500416 564421046 /nfs/dbraw/zinc/42/10/46/564421046.db2.gz ILERZKDAIKOWEQ-NSHDSACASA-N 1 0 391.225 2.821 20 5 GFBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000547792905 564511241 /nfs/dbraw/zinc/51/12/41/564511241.db2.gz LWLPKFXEQSMFEQ-CHWSQXEVSA-N 1 0 387.303 2.768 20 5 GFBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000523858985 564673749 /nfs/dbraw/zinc/67/37/49/564673749.db2.gz QIXAPEGCJJUUEN-CQSZACIVSA-N 1 0 377.894 2.893 20 5 GFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579889100 564753087 /nfs/dbraw/zinc/75/30/87/564753087.db2.gz FGPCAFRVOPEKIY-BJHJDKERSA-N 1 0 376.194 2.809 20 5 GFBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580743605 564771976 /nfs/dbraw/zinc/77/19/76/564771976.db2.gz GAUACKVAJZYUHF-ZYHUDNBSSA-N 1 0 390.221 2.962 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC[NH+]1CCCC1 ZINC000462482311 564842567 /nfs/dbraw/zinc/84/25/67/564842567.db2.gz FUEGNXFTLAIKSV-UHFFFAOYSA-N 1 0 382.269 2.666 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000462581987 564850293 /nfs/dbraw/zinc/85/02/93/564850293.db2.gz XAFQFTGVFGWCGK-CYBMUJFWSA-N 1 0 387.889 2.791 20 5 GFBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053488 564867852 /nfs/dbraw/zinc/86/78/52/564867852.db2.gz JHTXRSUKBVREDZ-CABZTGNLSA-N 1 0 381.230 2.996 20 5 GFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000500261665 564949025 /nfs/dbraw/zinc/94/90/25/564949025.db2.gz LEZTWCARTHQAQW-GFCCVEGCSA-N 1 0 387.278 2.689 20 5 GFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000468607326 564987811 /nfs/dbraw/zinc/98/78/11/564987811.db2.gz CDVMLICNZSGMJP-RAXLEYEMSA-N 1 0 381.479 2.628 20 5 GFBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000561971422 565014527 /nfs/dbraw/zinc/01/45/27/565014527.db2.gz NQMXEOCIQBZSQV-UHFFFAOYSA-N 1 0 383.857 2.617 20 5 GFBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000503989865 565032949 /nfs/dbraw/zinc/03/29/49/565032949.db2.gz WZWCVNDLLZAYEH-UHFFFAOYSA-N 1 0 377.894 2.988 20 5 GFBDRO C[C@H]1CC[N@H+](CCNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315435 565161733 /nfs/dbraw/zinc/16/17/33/565161733.db2.gz OBURFSJSJHZBSD-NSHDSACASA-N 1 0 389.237 2.631 20 5 GFBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1CC[NH3+] ZINC000593916002 565367760 /nfs/dbraw/zinc/36/77/60/565367760.db2.gz NHOMULCXXOARCK-ABAIWWIYSA-N 1 0 384.274 2.876 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409257 565474935 /nfs/dbraw/zinc/47/49/35/565474935.db2.gz CPXXTWYPADNDSV-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596111223 565513787 /nfs/dbraw/zinc/51/37/87/565513787.db2.gz YDXPNNADQXGICA-AWEZNQCLSA-N 1 0 399.289 2.712 20 5 GFBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000599979723 565709454 /nfs/dbraw/zinc/70/94/54/565709454.db2.gz WKOSFEIKTUKYTF-NSHDSACASA-N 1 0 382.258 2.914 20 5 GFBDRO C[NH+](C)C[C@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000609423962 566038920 /nfs/dbraw/zinc/03/89/20/566038920.db2.gz AWYFHLDXUKFKJH-LBPRGKRZSA-N 1 0 395.257 2.672 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(NCCC[NH+]3CCCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000738368041 599260510 /nfs/dbraw/zinc/26/05/10/599260510.db2.gz ZDSPONKEXPLAIN-UHFFFAOYSA-N 1 0 382.428 2.611 20 5 GFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736558984 598457450 /nfs/dbraw/zinc/45/74/50/598457450.db2.gz RQYXSLWKAYAWBS-UHFFFAOYSA-N 1 0 381.440 2.863 20 5 GFBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736558438 598457820 /nfs/dbraw/zinc/45/78/20/598457820.db2.gz KFSGBXCGZIDMKN-UHFFFAOYSA-N 1 0 381.440 2.863 20 5 GFBDRO C[NH+](C)CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736766888 598674715 /nfs/dbraw/zinc/67/47/15/598674715.db2.gz HUXITCAKWSZECR-UHFFFAOYSA-N 1 0 397.439 2.718 20 5 GFBDRO CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)CC1 ZINC000824953645 607737337 /nfs/dbraw/zinc/73/73/37/607737337.db2.gz GOZSBYXPYMACOT-UHFFFAOYSA-N 1 0 386.460 2.625 20 5 GFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262483 606451194 /nfs/dbraw/zinc/45/11/94/606451194.db2.gz WVEHTPDDTIZOGW-LBPRGKRZSA-N 1 0 382.428 2.609 20 5 GFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000826211596 608485264 /nfs/dbraw/zinc/48/52/64/608485264.db2.gz MCKSRWQPIIUQAN-LBPRGKRZSA-N 1 0 384.396 2.513 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826497737 609345760 /nfs/dbraw/zinc/34/57/60/609345760.db2.gz SPPSJDBWEBHTMV-UHFFFAOYSA-N 1 0 376.779 2.900 20 5 GFBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831583035 660713550 /nfs/dbraw/zinc/71/35/50/660713550.db2.gz NXWHSDXHQZGIMH-VIFPVBQESA-N 1 0 384.285 2.909 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000055591538 654779150 /nfs/dbraw/zinc/77/91/50/654779150.db2.gz NRTNRWZCPJRMGR-RYUDHWBXSA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000266658852 654888772 /nfs/dbraw/zinc/88/87/72/654888772.db2.gz LGSZUERVWLEHDN-OAHLLOKOSA-N 1 0 395.257 2.584 20 5 GFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C[NH+]1CCCC1 ZINC000267956006 654953982 /nfs/dbraw/zinc/95/39/82/654953982.db2.gz RKEDCHKAUOVQKR-JTQLQIEISA-N 1 0 388.237 2.958 20 5 GFBDRO CN(CCc1ccc(S(N)(=O)=O)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000107909191 655126063 /nfs/dbraw/zinc/12/60/63/655126063.db2.gz VZWPHEWXAUCQFH-UHFFFAOYSA-N 1 0 383.857 2.570 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000108416574 655132279 /nfs/dbraw/zinc/13/22/79/655132279.db2.gz VDTNOHZVOJQBLF-GFCCVEGCSA-N 1 0 375.878 2.649 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173263010 655165783 /nfs/dbraw/zinc/16/57/83/655165783.db2.gz DKDQKBIQBWZFTF-DGCLKSJQSA-N 1 0 375.878 2.599 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176936794 655262884 /nfs/dbraw/zinc/26/28/84/655262884.db2.gz QYGMYHUOYNHLNR-UHFFFAOYSA-N 1 0 387.889 2.934 20 5 GFBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365488643 655394490 /nfs/dbraw/zinc/39/44/90/655394490.db2.gz WZQIXIIMFVFFNV-UBHSHLNASA-N 1 0 394.269 2.914 20 5 GFBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193307022 655409233 /nfs/dbraw/zinc/40/92/33/655409233.db2.gz YKSQRMLAAHUOSJ-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754958012 655876848 /nfs/dbraw/zinc/87/68/48/655876848.db2.gz LGDMDMFVDMQVFX-UHFFFAOYSA-N 1 0 388.237 2.910 20 5 GFBDRO CC[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754994148 655878088 /nfs/dbraw/zinc/87/80/88/655878088.db2.gz NHIMODRGLVNBNM-UHFFFAOYSA-N 1 0 388.237 2.958 20 5 GFBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770379999 656317785 /nfs/dbraw/zinc/31/77/85/656317785.db2.gz MLHUUOAKWXJVAD-BXUZGUMPSA-N 1 0 382.258 2.848 20 5 GFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791423553 658096054 /nfs/dbraw/zinc/09/60/54/658096054.db2.gz RSLOANPRBNRXOT-SECBINFHSA-N 1 0 384.285 2.910 20 5 GFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796113164 658893370 /nfs/dbraw/zinc/89/33/70/658893370.db2.gz HHETWOZOSVNEEH-PWSUYJOCSA-N 1 0 391.852 2.635 20 5 GFBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000796204164 658902078 /nfs/dbraw/zinc/90/20/78/658902078.db2.gz QVCRIUOEAOCOLW-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000798165097 659077869 /nfs/dbraw/zinc/07/78/69/659077869.db2.gz TWQTZVQYRONGKU-UHFFFAOYSA-N 1 0 399.289 2.946 20 5 GFBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155994 659169155 /nfs/dbraw/zinc/16/91/55/659169155.db2.gz JZQIJWSPGLVDLX-XWUBHJNHSA-N 1 0 387.278 2.773 20 5 GFBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817368 659941670 /nfs/dbraw/zinc/94/16/70/659941670.db2.gz YIWZBOJIRQDPOF-UHFFFAOYSA-N 1 0 384.285 2.912 20 5 GFBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813178281 660045996 /nfs/dbraw/zinc/04/59/96/660045996.db2.gz BOMFNYNDNDZIJY-LLVKDONJSA-N 1 0 389.283 2.657 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815020266 660102553 /nfs/dbraw/zinc/10/25/53/660102553.db2.gz WAUZTDLLGJESGQ-QWRGUYRKSA-N 1 0 393.868 2.881 20 5 GFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045753 660106705 /nfs/dbraw/zinc/10/67/05/660106705.db2.gz WGSIKDDIKRZBGL-GWCFXTLKSA-N 1 0 391.852 2.635 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000843303323 661377137 /nfs/dbraw/zinc/37/71/37/661377137.db2.gz OBSWKRYHRSVAFM-UHFFFAOYSA-N 1 0 386.221 2.853 20 5 GFBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CC2C[NH+](C)C2)cc1Br ZINC000853825567 661903155 /nfs/dbraw/zinc/90/31/55/661903155.db2.gz POIXLRBLAPZMAX-UHFFFAOYSA-N 1 0 386.246 2.532 20 5 GFBDRO C[C@@]1(Br)C[C@H]1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780581 662215181 /nfs/dbraw/zinc/21/51/81/662215181.db2.gz LKBFKNIVUGOWEL-OFQRWUPVSA-N 1 0 383.242 2.886 20 5 GFBDRO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866048975 662458353 /nfs/dbraw/zinc/45/83/53/662458353.db2.gz DQYWDQLUGJPTCV-WCQYABFASA-N 1 0 384.274 2.841 20 5 GFBDRO Cn1ncc(Br)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866431040 662472593 /nfs/dbraw/zinc/47/25/93/662472593.db2.gz FLPBLLNAWNHLBG-UHFFFAOYSA-N 1 0 394.273 2.849 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000867806672 662577697 /nfs/dbraw/zinc/57/76/97/662577697.db2.gz HJLURSCTWVCTKR-MWLCHTKSSA-N 1 0 394.280 2.616 20 5 GFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836274 662837943 /nfs/dbraw/zinc/83/79/43/662837943.db2.gz DYOLIJLWYQLEGV-CABCVRRESA-N 1 0 382.258 2.595 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877355786 662874220 /nfs/dbraw/zinc/87/42/20/662874220.db2.gz CDHXJAPYBXUORV-IUCAKERBSA-N 1 0 383.729 2.525 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882768395 663041112 /nfs/dbraw/zinc/04/11/12/663041112.db2.gz CFOASIHFLYOJIQ-UHFFFAOYSA-N 1 0 387.889 2.806 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725907 663260995 /nfs/dbraw/zinc/26/09/95/663260995.db2.gz RGLVTIYCOOPLJN-SMDDNHRTSA-N 1 0 399.289 2.839 20 5 GFBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000895611002 663520792 /nfs/dbraw/zinc/52/07/92/663520792.db2.gz NZJKMTLTLNWVIY-QWHCGFSZSA-N 1 0 391.287 2.803 20 5 GFBDRO C[NH+]1CCC2(CCN2C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000896447153 663558091 /nfs/dbraw/zinc/55/80/91/663558091.db2.gz QKVZGUOQVPMISX-UHFFFAOYSA-N 1 0 397.273 2.737 20 5 GFBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000903787705 663807064 /nfs/dbraw/zinc/80/70/64/663807064.db2.gz YMALNUAOOAGUCL-LBPRGKRZSA-N 1 0 384.274 2.687 20 5 GFBDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000905359159 663867282 /nfs/dbraw/zinc/86/72/82/663867282.db2.gz LMKKFYBOHOANRX-HNNXBMFYSA-N 1 0 387.889 2.647 20 5 GFBDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000905360612 663867611 /nfs/dbraw/zinc/86/76/11/663867611.db2.gz UCRDCBOJKWFPLI-HNNXBMFYSA-N 1 0 387.889 2.647 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905429244 663871161 /nfs/dbraw/zinc/87/11/61/663871161.db2.gz YKLFRODAYYXZLA-AWEZNQCLSA-N 1 0 387.274 2.893 20 5 GFBDRO C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[NH+]2CCC1CC2 ZINC000912378943 664284204 /nfs/dbraw/zinc/28/42/04/664284204.db2.gz ULLNXSPLWIFDIW-OAHLLOKOSA-N 1 0 386.221 2.711 20 5 GFBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624372 719081209 /nfs/dbraw/zinc/08/12/09/719081209.db2.gz LKUBNAYIWWUZFL-WBVHZDCISA-N 1 0 388.855 2.982 20 5 GFBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164839417 720520318 /nfs/dbraw/zinc/52/03/18/720520318.db2.gz UDAWPBMUSJCJQU-XIRDDKMYSA-N 1 0 388.447 2.703 20 5 GFBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844924 720684621 /nfs/dbraw/zinc/68/46/21/720684621.db2.gz WJOSTGJKNGFAHC-GOSISDBHSA-N 1 0 397.479 2.953 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151622587 551418243 /nfs/dbraw/zinc/41/82/43/551418243.db2.gz VKSDICAHNBROGP-QMMMGPOBSA-N 1 0 376.638 2.692 20 5 GFBDRO NC(=O)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000162317526 551606684 /nfs/dbraw/zinc/60/66/84/551606684.db2.gz OTJBFSFZKPDTFW-OAHLLOKOSA-N 1 0 378.226 2.716 20 5 GFBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163356860 551619010 /nfs/dbraw/zinc/61/90/10/551619010.db2.gz NRRHRWSYTWAKNO-UHFFFAOYSA-N 1 0 383.392 2.624 20 5 GFBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000176794430 552145728 /nfs/dbraw/zinc/14/57/28/552145728.db2.gz AHAHCYBFJLTOAR-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000179218631 552187376 /nfs/dbraw/zinc/18/73/76/552187376.db2.gz FHCAEQFEZNOGCV-OAHLLOKOSA-N 1 0 394.225 2.682 20 5 GFBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182637331 552289488 /nfs/dbraw/zinc/28/94/88/552289488.db2.gz RQCJUZWNFWYIBE-CYBMUJFWSA-N 1 0 387.889 2.567 20 5 GFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246117857 553103022 /nfs/dbraw/zinc/10/30/22/553103022.db2.gz ALGKVEQHJPEFAP-ZFWWWQNUSA-N 1 0 396.285 2.985 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246741889 553112792 /nfs/dbraw/zinc/11/27/92/553112792.db2.gz PEJYZWKFPLTSQT-XJKSGUPXSA-N 1 0 396.285 2.843 20 5 GFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261892658 553162208 /nfs/dbraw/zinc/16/22/08/553162208.db2.gz NWNIHPHPSQCEAF-WDEREUQCSA-N 1 0 377.242 2.951 20 5 GFBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295097649 563229061 /nfs/dbraw/zinc/22/90/61/563229061.db2.gz GPOLFQAFFRPYJR-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO CCN1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295754455 563261037 /nfs/dbraw/zinc/26/10/37/563261037.db2.gz RAKASDULQHQWEJ-UHFFFAOYSA-N 1 0 382.269 2.618 20 5 GFBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420470836 563265230 /nfs/dbraw/zinc/26/52/30/563265230.db2.gz XWNYIJSGWMRSSU-AWEZNQCLSA-N 1 0 383.857 2.789 20 5 GFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000280266243 563329581 /nfs/dbraw/zinc/32/95/81/563329581.db2.gz CNENYHITOXCQKQ-DGCLKSJQSA-N 1 0 396.241 2.843 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301567905 563407568 /nfs/dbraw/zinc/40/75/68/563407568.db2.gz WBWSELFKZBDTKD-LLVKDONJSA-N 1 0 389.237 2.977 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378061277 563495813 /nfs/dbraw/zinc/49/58/13/563495813.db2.gz SUWXWFMXIYXUMG-CYBMUJFWSA-N 1 0 387.889 2.567 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330731179 563519171 /nfs/dbraw/zinc/51/91/71/563519171.db2.gz QDWSHALQZOYAEE-UHFFFAOYSA-N 1 0 375.878 2.742 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285538955 563525842 /nfs/dbraw/zinc/52/58/42/563525842.db2.gz HUPVPQXJWQMBGL-ABAIWWIYSA-N 1 0 382.258 2.832 20 5 GFBDRO CSc1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332084182 563575015 /nfs/dbraw/zinc/57/50/15/563575015.db2.gz PLWUWOAAVUQCRB-DZGCQCFKSA-N 1 0 381.523 2.969 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332215256 563583986 /nfs/dbraw/zinc/58/39/86/563583986.db2.gz KMAKOCSSMIXWLD-QWRGUYRKSA-N 1 0 383.246 2.739 20 5 GFBDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438833738 563711882 /nfs/dbraw/zinc/71/18/82/563711882.db2.gz IRAGXXUNUIHDBI-INIZCTEOSA-N 1 0 397.273 2.825 20 5 GFBDRO CN1CC[NH+](C[C@@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000363393964 563720928 /nfs/dbraw/zinc/72/09/28/563720928.db2.gz XFSONTKOIMWFIR-AWEZNQCLSA-N 1 0 397.317 2.821 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363647277 563729513 /nfs/dbraw/zinc/72/95/13/563729513.db2.gz UHGPQPBOSMKXST-PJODQICGSA-N 1 0 394.269 2.914 20 5 GFBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000365105331 563774061 /nfs/dbraw/zinc/77/40/61/563774061.db2.gz OURNCZYBDODTGT-ZBFHGGJFSA-N 1 0 382.258 2.630 20 5 GFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764437 563778754 /nfs/dbraw/zinc/77/87/54/563778754.db2.gz FTYXIAIHFMUFLX-QYJAPNMZSA-N 1 0 397.273 2.511 20 5 GFBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416432027 563828018 /nfs/dbraw/zinc/82/80/18/563828018.db2.gz DDHMCYNXNRQPCV-UHFFFAOYSA-N 1 0 383.392 2.574 20 5 GFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000294330038 563838832 /nfs/dbraw/zinc/83/88/32/563838832.db2.gz XMCWIFNEGMFZPI-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000505512694 564185042 /nfs/dbraw/zinc/18/50/42/564185042.db2.gz CDMDTYKQTAZLGK-KRWDZBQOSA-N 1 0 396.285 2.844 20 5 GFBDRO COc1cc(CNc2cc(N(C)C)c(Br)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000449644239 564192996 /nfs/dbraw/zinc/19/29/96/564192996.db2.gz JDFDTOXZUKSPIJ-UHFFFAOYSA-N 1 0 397.229 2.567 20 5 GFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000539048859 564208451 /nfs/dbraw/zinc/20/84/51/564208451.db2.gz WGMBTWVTWANXDA-ZDUSSCGKSA-N 1 0 383.495 2.936 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000564504409 564236615 /nfs/dbraw/zinc/23/66/15/564236615.db2.gz KCVIYXAEOFMVMF-RYUDHWBXSA-N 1 0 375.878 2.742 20 5 GFBDRO CCC[C@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564689272 564245415 /nfs/dbraw/zinc/24/54/15/564245415.db2.gz NFOJHBAZTRCQPV-CYBMUJFWSA-N 1 0 378.210 2.840 20 5 GFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475836013 564322041 /nfs/dbraw/zinc/32/20/41/564322041.db2.gz NNZKBYMIAUIZGD-CQSZACIVSA-N 1 0 382.258 2.595 20 5 GFBDRO CS[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000543311630 564345915 /nfs/dbraw/zinc/34/59/15/564345915.db2.gz PAVLGBOBHHZVPP-OCCSQVGLSA-N 1 0 389.930 2.844 20 5 GFBDRO Cc1c(Br)c(NC[C@@]2([NH+](C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000543435915 564350459 /nfs/dbraw/zinc/35/04/59/564350459.db2.gz GTIDSLZFDLHZOD-ZDUSSCGKSA-N 1 0 375.292 2.910 20 5 GFBDRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000512257425 564396262 /nfs/dbraw/zinc/39/62/62/564396262.db2.gz FNBKMIFJLJCMIA-OAHLLOKOSA-N 1 0 386.246 2.845 20 5 GFBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000480703513 564483108 /nfs/dbraw/zinc/48/31/08/564483108.db2.gz ZRDWPDIGOWOGHT-JTQLQIEISA-N 1 0 383.392 2.622 20 5 GFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000570045789 564489618 /nfs/dbraw/zinc/48/96/18/564489618.db2.gz FNODOEVWWQYRIY-IUCAKERBSA-N 1 0 386.239 2.943 20 5 GFBDRO CN(C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548976628 564582121 /nfs/dbraw/zinc/58/21/21/564582121.db2.gz DCOFCHIMAITHPY-AWEZNQCLSA-N 1 0 383.857 2.829 20 5 GFBDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000572991174 564618011 /nfs/dbraw/zinc/61/80/11/564618011.db2.gz XNPZBHHGCZWIDN-GFCCVEGCSA-N 1 0 380.242 2.740 20 5 GFBDRO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000573041334 564621134 /nfs/dbraw/zinc/62/11/34/564621134.db2.gz JGADEXSCVHOCCW-UHFFFAOYSA-N 1 0 396.245 2.514 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000487971518 564701044 /nfs/dbraw/zinc/70/10/44/564701044.db2.gz WETBXFGYQBBYIW-MRXNPFEDSA-N 1 0 386.905 2.527 20 5 GFBDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749220 564759589 /nfs/dbraw/zinc/75/95/89/564759589.db2.gz GZKOGXRYNIBHAA-ZIAGYGMSSA-N 1 0 398.257 2.843 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356507 564835602 /nfs/dbraw/zinc/83/56/02/564835602.db2.gz IAEWUKGDNUHUIW-SKDRFNHKSA-N 1 0 396.296 2.862 20 5 GFBDRO C[NH+](C)C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462443277 564839582 /nfs/dbraw/zinc/83/95/82/564839582.db2.gz XBPYMJQEVPFMGE-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462568089 564848450 /nfs/dbraw/zinc/84/84/50/564848450.db2.gz XRPDUWRSFQSREN-CQSZACIVSA-N 1 0 387.889 2.791 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1OCCC1CC[NH2+]CC1 ZINC000583316922 564886372 /nfs/dbraw/zinc/88/63/72/564886372.db2.gz AZACRLGZDDYBLO-UHFFFAOYSA-N 1 0 376.194 2.968 20 5 GFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000498556259 564901993 /nfs/dbraw/zinc/90/19/93/564901993.db2.gz WMHIVDOOTJXEQQ-RYUDHWBXSA-N 1 0 384.274 2.841 20 5 GFBDRO C[NH+](C)CCc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1 ZINC000466437106 564940274 /nfs/dbraw/zinc/94/02/74/564940274.db2.gz WSRFLKFDIICOKS-UHFFFAOYSA-N 1 0 379.258 2.890 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000563129316 565056443 /nfs/dbraw/zinc/05/64/43/565056443.db2.gz NCTKYMPOYJOXJI-HAQNSBGRSA-N 1 0 375.878 2.600 20 5 GFBDRO CS[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000614977803 565140572 /nfs/dbraw/zinc/14/05/72/565140572.db2.gz LFDUJVTUQNYRPO-QWHCGFSZSA-N 1 0 387.303 2.768 20 5 GFBDRO CC[C@@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000589261287 565159223 /nfs/dbraw/zinc/15/92/23/565159223.db2.gz HLDRSWFNNDGMAP-CYBMUJFWSA-N 1 0 376.194 2.858 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOC(F)(F)F)c1 ZINC000589317781 565161039 /nfs/dbraw/zinc/16/10/39/565161039.db2.gz MWKUJQCFRUMPSF-UHFFFAOYSA-N 1 0 390.099 2.825 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CCC(O)CC2)c1 ZINC000594991332 565439839 /nfs/dbraw/zinc/43/98/39/565439839.db2.gz HHBNXLNYBHONBR-UHFFFAOYSA-N 1 0 390.221 2.840 20 5 GFBDRO O=C1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000594987860 565439857 /nfs/dbraw/zinc/43/98/57/565439857.db2.gz LFTMQSBCURXOMP-JTQLQIEISA-N 1 0 394.225 2.986 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595114349 565449192 /nfs/dbraw/zinc/44/91/92/565449192.db2.gz XAPUXXNJRRBDKV-ZDUSSCGKSA-N 1 0 387.889 2.649 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595346742 565466006 /nfs/dbraw/zinc/46/60/06/565466006.db2.gz VSDFNFJXBYCKFS-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3O)o2)c(Br)c1 ZINC000599012710 565654240 /nfs/dbraw/zinc/65/42/40/565654240.db2.gz VJBNYFJCNAAZQE-HUUCEWRRSA-N 1 0 397.225 2.857 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000602480648 565851126 /nfs/dbraw/zinc/85/11/26/565851126.db2.gz HZZUKOJMLJWPQN-ZDUSSCGKSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](C)N1CCOCC1 ZINC000602564046 565855528 /nfs/dbraw/zinc/85/55/28/565855528.db2.gz KQTXIYFXGHZXCY-NXEZZACHSA-N 1 0 378.292 2.618 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)o2)c(Br)c1 ZINC000611276787 566124577 /nfs/dbraw/zinc/12/45/77/566124577.db2.gz KMGOYULRSODNOQ-TXEJJXNPSA-N 1 0 397.225 2.545 20 5 GFBDRO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000738373490 598500070 /nfs/dbraw/zinc/50/00/70/598500070.db2.gz DQVMXMGXLMUVPB-UHFFFAOYSA-N 1 0 394.439 2.942 20 5 GFBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738359485 598673753 /nfs/dbraw/zinc/67/37/53/598673753.db2.gz RVKZAWOHUXNKPL-OAHLLOKOSA-N 1 0 385.472 2.867 20 5 GFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823639826 599432377 /nfs/dbraw/zinc/43/23/77/599432377.db2.gz HZIHAQBOQSNZJF-UHFFFAOYSA-N 1 0 379.424 2.983 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824261548 607736350 /nfs/dbraw/zinc/73/63/50/607736350.db2.gz MFWSVWHRIRVQMN-CQSZACIVSA-N 1 0 396.455 2.855 20 5 GFBDRO CC1CC[NH+](C2CCC(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)CC1 ZINC000824956170 607737175 /nfs/dbraw/zinc/73/71/75/607737175.db2.gz QSCWPMNMYOMJCV-UHFFFAOYSA-N 1 0 386.460 2.625 20 5 GFBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821618899 606043858 /nfs/dbraw/zinc/04/38/58/606043858.db2.gz ADYPIVHLSOPGFG-QGZVFWFLSA-N 1 0 393.451 2.876 20 5 GFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000822304142 607114646 /nfs/dbraw/zinc/11/46/46/607114646.db2.gz QSDYZSJPFNPDQB-UHFFFAOYSA-N 1 0 381.440 2.652 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000823624755 607165272 /nfs/dbraw/zinc/16/52/72/607165272.db2.gz IJZVFLRSAGNTAL-UHFFFAOYSA-N 1 0 394.439 2.768 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826272664 608491328 /nfs/dbraw/zinc/49/13/28/608491328.db2.gz VSIAJQCRIMBUIB-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000828529889 660555429 /nfs/dbraw/zinc/55/54/29/660555429.db2.gz XXCMLAFSBBBQCM-UHFFFAOYSA-N 1 0 387.278 2.946 20 5 GFBDRO CC[NH+]1CCC(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000010083063 654490468 /nfs/dbraw/zinc/49/04/68/654490468.db2.gz DOCOQCFMFXYTNF-UHFFFAOYSA-N 1 0 380.495 2.897 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000129566929 654867566 /nfs/dbraw/zinc/86/75/66/654867566.db2.gz BBLJOJYAZSGKAK-UHFFFAOYSA-N 1 0 375.878 2.519 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000267080396 654909335 /nfs/dbraw/zinc/90/93/35/654909335.db2.gz GKKVDAUNYYKPKG-CQSZACIVSA-N 1 0 377.388 2.781 20 5 GFBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000101571204 655044402 /nfs/dbraw/zinc/04/44/02/655044402.db2.gz KSGWRSIAHAJMNA-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272471263 655113843 /nfs/dbraw/zinc/11/38/43/655113843.db2.gz RWIPDDRJBPBJMI-HZMBPMFUSA-N 1 0 383.246 2.915 20 5 GFBDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119616336 655308771 /nfs/dbraw/zinc/30/87/71/655308771.db2.gz YNPUMMKGRJPBNE-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289357522 655347433 /nfs/dbraw/zinc/34/74/33/655347433.db2.gz YSOYXISJHIZCGI-HNNXBMFYSA-N 1 0 386.221 2.712 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000574804312 655431051 /nfs/dbraw/zinc/43/10/51/655431051.db2.gz YIGNSGNCGUQIQJ-GFCCVEGCSA-N 1 0 397.225 2.592 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2Br)c1 ZINC000578521884 655480954 /nfs/dbraw/zinc/48/09/54/655480954.db2.gz QALPVSUPLZTQDO-OAHLLOKOSA-N 1 0 395.253 2.929 20 5 GFBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770380005 656317817 /nfs/dbraw/zinc/31/78/17/656317817.db2.gz MLHUUOAKWXJVAD-SMDDNHRTSA-N 1 0 382.258 2.848 20 5 GFBDRO CC[C@H](C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000778604245 656885755 /nfs/dbraw/zinc/88/57/55/656885755.db2.gz AUDIBERUNHSFLV-CYBMUJFWSA-N 1 0 391.877 2.516 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000784535372 657315586 /nfs/dbraw/zinc/31/55/86/657315586.db2.gz RAFRTYNBWMNUNM-JQWIXIFHSA-N 1 0 381.376 2.783 20 5 GFBDRO CC[N@H+](C[C@@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795430527 658817900 /nfs/dbraw/zinc/81/79/00/658817900.db2.gz ZMHUUJJNYOIDMP-NSHDSACASA-N 1 0 398.257 2.629 20 5 GFBDRO C[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCCC1 ZINC000795821514 658854529 /nfs/dbraw/zinc/85/45/29/658854529.db2.gz AOQHKKQGZJLUCU-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)c1 ZINC000798160583 659076909 /nfs/dbraw/zinc/07/69/09/659076909.db2.gz WVHYZCNNUUEXQY-UHFFFAOYSA-N 1 0 393.241 2.744 20 5 GFBDRO Cc1ccc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804635383 659663028 /nfs/dbraw/zinc/66/30/28/659663028.db2.gz XEVXOBYSZMREGK-LBPRGKRZSA-N 1 0 386.290 2.947 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805112890 659742072 /nfs/dbraw/zinc/74/20/72/659742072.db2.gz FIDRGKADEZDKOZ-GXTWGEPZSA-N 1 0 387.889 2.804 20 5 GFBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809821432 659943374 /nfs/dbraw/zinc/94/33/74/659943374.db2.gz MEMAZQSNXJOVGW-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000811479454 660009871 /nfs/dbraw/zinc/00/98/71/660009871.db2.gz HJNZRXBAVLAITA-ZIAGYGMSSA-N 1 0 376.356 2.859 20 5 GFBDRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813408634 660053554 /nfs/dbraw/zinc/05/35/54/660053554.db2.gz APMJHDYJKDNLEL-UHFFFAOYSA-N 1 0 389.283 2.659 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815065453 660108711 /nfs/dbraw/zinc/10/87/11/660108711.db2.gz DHEBLXPLYGPKCJ-MRXNPFEDSA-N 1 0 387.889 2.663 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000842484156 661341587 /nfs/dbraw/zinc/34/15/87/661341587.db2.gz FMJGCPDVLNBFCI-GFCCVEGCSA-N 1 0 381.841 2.635 20 5 GFBDRO C[NH2+][C@@H](C)Cc1noc(CN(C)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000842631192 661346534 /nfs/dbraw/zinc/34/65/34/661346534.db2.gz LICWCEORIWQPGR-VIFPVBQESA-N 1 0 384.234 2.527 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843474967 661382703 /nfs/dbraw/zinc/38/27/03/661382703.db2.gz YOSKCWJKIYPVIX-HNNXBMFYSA-N 1 0 386.221 2.712 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)c3cccc(Br)c3)C2)c1 ZINC000877084979 662870896 /nfs/dbraw/zinc/87/08/96/662870896.db2.gz KSVHUTHZWDUVNH-SSDMNJCBSA-N 1 0 381.230 2.581 20 5 GFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271968 662922146 /nfs/dbraw/zinc/92/21/46/662922146.db2.gz JQKXRZGZAMKEDD-IAGOWNOFSA-N 1 0 395.253 2.888 20 5 GFBDRO CN1CC[NH+](C2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)CC1 ZINC000879594383 662930214 /nfs/dbraw/zinc/93/02/14/662930214.db2.gz HGDBUKSOIIGHSG-UHFFFAOYSA-N 1 0 397.317 2.569 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879672193 662935886 /nfs/dbraw/zinc/93/58/86/662935886.db2.gz UBDWJFGKDMVYMX-ZIAGYGMSSA-N 1 0 378.372 2.855 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000882345904 663025104 /nfs/dbraw/zinc/02/51/04/663025104.db2.gz MWLPXDDLGNQKJG-UHFFFAOYSA-N 1 0 387.889 2.663 20 5 GFBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896211628 663545427 /nfs/dbraw/zinc/54/54/27/663545427.db2.gz VWZAAUSDAQZKSH-SECBINFHSA-N 1 0 394.230 2.881 20 5 GFBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897724856 663617361 /nfs/dbraw/zinc/61/73/61/663617361.db2.gz KYKNIJGXNYARRH-VIFPVBQESA-N 1 0 394.230 2.617 20 5 GFBDRO CN(c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1)S(C)(=O)=O ZINC000898284728 663642113 /nfs/dbraw/zinc/64/21/13/663642113.db2.gz NLSKDZLSYFZLIP-UHFFFAOYSA-N 1 0 383.857 2.934 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C12CCC[NH+](CCC1)C2 ZINC000919103595 664508180 /nfs/dbraw/zinc/50/81/80/664508180.db2.gz KSJPILLDJALSJW-UHFFFAOYSA-N 1 0 382.258 2.850 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497550 664909124 /nfs/dbraw/zinc/90/91/24/664909124.db2.gz VTRDJFIABNNTHK-IRXDYDNUSA-N 1 0 395.253 2.888 20 5 GFBDRO COC(=O)c1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164621112 719069335 /nfs/dbraw/zinc/06/93/35/719069335.db2.gz HGKLXUIUTASPCB-LPHOPBHVSA-N 1 0 396.447 2.877 20 5 GFBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc([N+](=O)[O-])c(N)n2)CC3)cs1 ZINC001164694025 719810096 /nfs/dbraw/zinc/81/00/96/719810096.db2.gz UAYKRJAOIPXXRU-UHFFFAOYSA-N 1 0 388.497 2.972 20 5 GFBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721787 720374265 /nfs/dbraw/zinc/37/42/65/720374265.db2.gz BAPLPAKWXOVEEU-RTBURBONSA-N 1 0 376.420 2.786 20 5 GFBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856117 720936568 /nfs/dbraw/zinc/93/65/68/720936568.db2.gz AIWARKCLHQITFF-NSHDSACASA-N 1 0 393.879 2.965 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164771879 721167800 /nfs/dbraw/zinc/16/78/00/721167800.db2.gz RQOOPGXPRLZDGS-QZTJIDSGSA-N 1 0 392.463 2.835 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000056125549 551177175 /nfs/dbraw/zinc/17/71/75/551177175.db2.gz SYYVPJIFPQDJSX-LBPRGKRZSA-N 1 0 375.878 2.649 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000131032078 551371318 /nfs/dbraw/zinc/37/13/18/551371318.db2.gz IIPZQRZDJLCARS-CQSZACIVSA-N 1 0 381.226 2.887 20 5 GFBDRO CC(C)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151569087 551416494 /nfs/dbraw/zinc/41/64/94/551416494.db2.gz RQRNBJGVQASYAE-UHFFFAOYSA-N 1 0 384.274 2.889 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000160172878 551576631 /nfs/dbraw/zinc/57/66/31/551576631.db2.gz JUQCKZKJXMVTFB-ZDUSSCGKSA-N 1 0 387.889 2.887 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000164085736 551624247 /nfs/dbraw/zinc/62/42/47/551624247.db2.gz FGXBNTFMBSMNRF-BXUZGUMPSA-N 1 0 382.258 2.914 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000182539071 552287318 /nfs/dbraw/zinc/28/73/18/552287318.db2.gz UHTYCQWPPDPOBY-GFCCVEGCSA-N 1 0 375.878 2.519 20 5 GFBDRO O=c1c(Br)cn(Cc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000188081916 552434064 /nfs/dbraw/zinc/43/40/64/552434064.db2.gz KHENPMIBQAOMLY-UHFFFAOYSA-N 1 0 375.182 2.753 20 5 GFBDRO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000236802559 553071664 /nfs/dbraw/zinc/07/16/64/553071664.db2.gz QIGDQTDKRJQNNJ-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237810393 553082377 /nfs/dbraw/zinc/08/23/77/553082377.db2.gz LMKWGRFUKSZLOH-SECBINFHSA-N 1 0 384.223 2.569 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000245681102 553094889 /nfs/dbraw/zinc/09/48/89/553094889.db2.gz KKWAVDSSWDFQTL-XHDPSFHLSA-N 1 0 382.258 2.914 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246899242 553114995 /nfs/dbraw/zinc/11/49/95/553114995.db2.gz JQMLCXAPBCMVLY-XHDPSFHLSA-N 1 0 382.258 2.914 20 5 GFBDRO CN1CC[NH+](CC2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000263751820 553193005 /nfs/dbraw/zinc/19/30/05/553193005.db2.gz PCAUHJAVKGWPBG-UHFFFAOYSA-N 1 0 397.317 2.821 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369538672 563216152 /nfs/dbraw/zinc/21/61/52/563216152.db2.gz DMFWFSAWDWGKIQ-QMTHXVAHSA-N 1 0 387.508 2.689 20 5 GFBDRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278760376 563268973 /nfs/dbraw/zinc/26/89/73/563268973.db2.gz TUCVOHGBRDOCMS-SECBINFHSA-N 1 0 379.218 2.608 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373550653 563341758 /nfs/dbraw/zinc/34/17/58/563341758.db2.gz HVZOXKVQCQQHJC-XHDPSFHLSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422557356 563343478 /nfs/dbraw/zinc/34/34/78/563343478.db2.gz VSWJGBXVZOVLDA-UTLUCORTSA-N 1 0 396.296 2.896 20 5 GFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301373786 563401460 /nfs/dbraw/zinc/40/14/60/563401460.db2.gz USEYCFTZLWFPRI-HNNXBMFYSA-N 1 0 397.317 2.964 20 5 GFBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000425410447 563420619 /nfs/dbraw/zinc/42/06/19/563420619.db2.gz XGGKZSDSGQYZIF-MRXNPFEDSA-N 1 0 397.317 2.569 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000425411703 563421252 /nfs/dbraw/zinc/42/12/52/563421252.db2.gz YJPBFTRVSSJDGI-CQSZACIVSA-N 1 0 398.301 2.902 20 5 GFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000425471845 563423964 /nfs/dbraw/zinc/42/39/64/563423964.db2.gz IISRDZZYUSUANW-UHFFFAOYSA-N 1 0 386.290 2.900 20 5 GFBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425505200 563425630 /nfs/dbraw/zinc/42/56/30/563425630.db2.gz NODGIBGSAUHDRP-UHFFFAOYSA-N 1 0 386.290 2.900 20 5 GFBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376212753 563433496 /nfs/dbraw/zinc/43/34/96/563433496.db2.gz VTCWCCRVPDWGFW-DZGCQCFKSA-N 1 0 397.317 2.820 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378223999 563499184 /nfs/dbraw/zinc/49/91/84/563499184.db2.gz HYEHJCVQKABNAW-OAHLLOKOSA-N 1 0 382.258 2.962 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397212444 563532007 /nfs/dbraw/zinc/53/20/07/563532007.db2.gz BUYHQELPXFORIR-UMNHJUIQSA-N 1 0 375.878 2.551 20 5 GFBDRO CC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOCC1 ZINC000289571002 563679638 /nfs/dbraw/zinc/67/96/38/563679638.db2.gz RWUXWXDKWVLPNY-UHFFFAOYSA-N 1 0 376.194 2.858 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805948 563721929 /nfs/dbraw/zinc/72/19/29/563721929.db2.gz RUIYODSOSFJOLP-JOYOIKCWSA-N 1 0 396.296 2.862 20 5 GFBDRO C[N@@H+]1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000291691962 563754196 /nfs/dbraw/zinc/75/41/96/563754196.db2.gz OFOBWUSVBOSATF-UHFFFAOYSA-N 1 0 389.283 2.657 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366418256 563807451 /nfs/dbraw/zinc/80/74/51/563807451.db2.gz MIXZDZKCRSUXFW-XJKSGUPXSA-N 1 0 396.285 2.890 20 5 GFBDRO Cc1c(Br)cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000511833884 564383134 /nfs/dbraw/zinc/38/31/34/564383134.db2.gz IBPWTMYASDFZPO-HNNXBMFYSA-N 1 0 382.258 2.832 20 5 GFBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C2CC2)C1 ZINC000452177535 564397762 /nfs/dbraw/zinc/39/77/62/564397762.db2.gz XQJMVIPHUKMESZ-GFCCVEGCSA-N 1 0 396.285 2.843 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccsc1Br ZINC000568503227 564421002 /nfs/dbraw/zinc/42/10/02/564421002.db2.gz GRZAQFPMFFSUGX-NSHDSACASA-N 1 0 387.255 2.948 20 5 GFBDRO CC[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000516535729 564504381 /nfs/dbraw/zinc/50/43/81/564504381.db2.gz PRHJFYKSJNAWFO-UHFFFAOYSA-N 1 0 384.274 2.748 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000572703268 564606411 /nfs/dbraw/zinc/60/64/11/564606411.db2.gz JXXMLUNONZMCII-DLOVCJGASA-N 1 0 383.246 2.867 20 5 GFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552882817 564703485 /nfs/dbraw/zinc/70/34/85/564703485.db2.gz AYYOTHUQQYKVRC-RYUDHWBXSA-N 1 0 375.878 2.789 20 5 GFBDRO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000489345931 564736859 /nfs/dbraw/zinc/73/68/59/564736859.db2.gz GTCZHADNZUMIJI-OAHLLOKOSA-N 1 0 384.274 2.698 20 5 GFBDRO CC[C@H](C)[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554946261 564779024 /nfs/dbraw/zinc/77/90/24/564779024.db2.gz IEBWGLHWXRKDRF-JTQLQIEISA-N 1 0 378.210 2.792 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356504 564835121 /nfs/dbraw/zinc/83/51/21/564835121.db2.gz IAEWUKGDNUHUIW-BXKDBHETSA-N 1 0 396.296 2.862 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000467394560 564961605 /nfs/dbraw/zinc/96/16/05/564961605.db2.gz PPIIEXJWNXEZID-MBNYWOFBSA-N 1 0 387.527 2.991 20 5 GFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000467784204 564972301 /nfs/dbraw/zinc/97/23/01/564972301.db2.gz LFLQXXKSGAAUHD-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO CC(C)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000562033615 565016305 /nfs/dbraw/zinc/01/63/05/565016305.db2.gz DEFKHTUXBRLFFY-SNVBAGLBSA-N 1 0 378.210 2.791 20 5 GFBDRO CN(C)C1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000589317733 565161366 /nfs/dbraw/zinc/16/13/66/565161366.db2.gz FYGMHQPJTNLGPR-UHFFFAOYSA-N 1 0 389.237 2.773 20 5 GFBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000599985273 565709236 /nfs/dbraw/zinc/70/92/36/565709236.db2.gz BIWHPHIAFJLMDH-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO Cc1n[nH]cc1CN(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000602942189 565875473 /nfs/dbraw/zinc/87/54/73/565875473.db2.gz LKPINYOKNOLQOF-UHFFFAOYSA-N 1 0 386.193 2.863 20 5 GFBDRO CN(CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)S(C)(=O)=O ZINC000608836358 566026043 /nfs/dbraw/zinc/02/60/43/566026043.db2.gz PKJBYFPQISSVJK-UHFFFAOYSA-N 1 0 383.495 2.694 20 5 GFBDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000736201993 599310480 /nfs/dbraw/zinc/31/04/80/599310480.db2.gz YRVWSSDYLQQGGP-CQSZACIVSA-N 1 0 379.424 2.658 20 5 GFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cccc1[N+](=O)[O-] ZINC000822060991 599392240 /nfs/dbraw/zinc/39/22/40/599392240.db2.gz KJFSZVOEDREJLI-STQMWFEESA-N 1 0 395.423 2.761 20 5 GFBDRO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1-c1nn[nH]n1 ZINC000826193675 607517749 /nfs/dbraw/zinc/51/77/49/607517749.db2.gz LIBDAGMYCIMBCQ-UHFFFAOYSA-N 1 0 380.408 2.948 20 5 GFBDRO C[C@H]([NH2+]C(C)(C)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820403105 606706346 /nfs/dbraw/zinc/70/63/46/606706346.db2.gz HSERXIAKKODGEH-LBPRGKRZSA-N 1 0 382.428 2.711 20 5 GFBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820570316 606710318 /nfs/dbraw/zinc/71/03/18/606710318.db2.gz HBRGZYVECJBBQZ-ZDUSSCGKSA-N 1 0 394.439 2.807 20 5 GFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225545 607013670 /nfs/dbraw/zinc/01/36/70/607013670.db2.gz KTZXWABDHWQIDP-STQMWFEESA-N 1 0 395.423 2.843 20 5 GFBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831223372 660704609 /nfs/dbraw/zinc/70/46/09/660704609.db2.gz REWNKJYRTMPYFN-UHFFFAOYSA-N 1 0 384.285 2.864 20 5 GFBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000123527121 654758521 /nfs/dbraw/zinc/75/85/21/654758521.db2.gz CSDZQKBQXBHEHP-UHFFFAOYSA-N 1 0 384.285 2.862 20 5 GFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C[NH+]1CCCC1 ZINC000267956008 654953963 /nfs/dbraw/zinc/95/39/63/654953963.db2.gz RKEDCHKAUOVQKR-SNVBAGLBSA-N 1 0 388.237 2.958 20 5 GFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)CCCO)o2)c(Br)c1 ZINC000093324002 655018233 /nfs/dbraw/zinc/01/82/33/655018233.db2.gz SDXBZAFDQXJEIB-UHFFFAOYSA-N 1 0 399.241 2.794 20 5 GFBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101573883 655044573 /nfs/dbraw/zinc/04/45/73/655044573.db2.gz MCZVVMFOTJYOGW-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000272571729 655116456 /nfs/dbraw/zinc/11/64/56/655116456.db2.gz FTNBBBMRBDPUHU-NOZJJQNGSA-N 1 0 386.221 2.663 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273399542 655141992 /nfs/dbraw/zinc/14/19/92/655141992.db2.gz GISYDBZCWXGAFO-GFCCVEGCSA-N 1 0 389.905 2.907 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1Br ZINC000839615291 661096106 /nfs/dbraw/zinc/09/61/06/661096106.db2.gz VURJOTDSQMIMHL-CVEARBPZSA-N 1 0 385.258 2.767 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176736246 655254145 /nfs/dbraw/zinc/25/41/45/655254145.db2.gz HTVUFCVXCIHLBD-NWDGAFQWSA-N 1 0 375.878 2.708 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000276940035 655294231 /nfs/dbraw/zinc/29/42/31/655294231.db2.gz AOJSJMVTMQNNKK-LLVKDONJSA-N 1 0 377.413 2.512 20 5 GFBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596124138 655513978 /nfs/dbraw/zinc/51/39/78/655513978.db2.gz UQTBNNRAKJCLBR-CQSZACIVSA-N 1 0 397.317 2.964 20 5 GFBDRO C[NH+](C)C1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000731967444 655590263 /nfs/dbraw/zinc/59/02/63/655590263.db2.gz GOHXDMQHIUGFBJ-UHFFFAOYSA-N 1 0 377.413 2.877 20 5 GFBDRO CC[NH+]1CCC(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000731985007 655590446 /nfs/dbraw/zinc/59/04/46/655590446.db2.gz MBOMRTNLVFBIPU-UHFFFAOYSA-N 1 0 377.413 2.735 20 5 GFBDRO CC(C)[NH2+]C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000732031823 655590824 /nfs/dbraw/zinc/59/08/24/655590824.db2.gz IEVDSUIJRLGJGY-UHFFFAOYSA-N 1 0 377.413 2.558 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743376884 655728272 /nfs/dbraw/zinc/72/82/72/655728272.db2.gz NHUCHYQHVBKUJP-CQSZACIVSA-N 1 0 394.273 2.718 20 5 GFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754635020 655870603 /nfs/dbraw/zinc/87/06/03/655870603.db2.gz FGTNQVGXVVTPMB-VIFPVBQESA-N 1 0 376.226 2.957 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000782077250 657100999 /nfs/dbraw/zinc/10/09/99/657100999.db2.gz DBMPNCDDOZCFDR-CVEARBPZSA-N 1 0 381.226 2.714 20 5 GFBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCCC1 ZINC000798225834 659085368 /nfs/dbraw/zinc/08/53/68/659085368.db2.gz NJXXNKKUORUNST-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226739 659085860 /nfs/dbraw/zinc/08/58/60/659085860.db2.gz DROOSTNZODNJRJ-MNOVXSKESA-N 1 0 393.868 2.786 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000798226955 659085890 /nfs/dbraw/zinc/08/58/90/659085890.db2.gz ZRXLPKVGHFEWHR-LLVKDONJSA-N 1 0 391.852 2.636 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000805113648 659741884 /nfs/dbraw/zinc/74/18/84/659741884.db2.gz MNGHVLPMVOZLBM-CHWSQXEVSA-N 1 0 387.889 2.804 20 5 GFBDRO C[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000809824475 659943948 /nfs/dbraw/zinc/94/39/48/659943948.db2.gz BEXJDUPQTSLBAG-VIFPVBQESA-N 1 0 381.857 2.642 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000815069480 660109269 /nfs/dbraw/zinc/10/92/69/660109269.db2.gz HHCWTSSSSMJMCT-UHFFFAOYSA-N 1 0 393.868 2.932 20 5 GFBDRO C[C@H](CCC[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842000377 661319101 /nfs/dbraw/zinc/31/91/01/661319101.db2.gz WMMJPBDHJZYIIA-SNVBAGLBSA-N 1 0 385.262 2.552 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000842481081 661341246 /nfs/dbraw/zinc/34/12/46/661341246.db2.gz FWIACCFQPNUYCU-OLZOCXBDSA-N 1 0 387.889 2.852 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842481684 661341423 /nfs/dbraw/zinc/34/14/23/661341423.db2.gz LNOBFKIGIQPQTN-JSGCOSHPSA-N 1 0 387.889 2.709 20 5 GFBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000842825461 661356728 /nfs/dbraw/zinc/35/67/28/661356728.db2.gz PPTJWNCXOCDWFC-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(Cc1c(Br)cccc1[N+](=O)[O-])CCO2 ZINC000843431869 661381119 /nfs/dbraw/zinc/38/11/19/661381119.db2.gz LKZOWCFLVGYSNJ-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849419787 661720506 /nfs/dbraw/zinc/72/05/06/661720506.db2.gz OXOONJOTDROCCT-VIFPVBQESA-N 1 0 379.841 2.538 20 5 GFBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856727393 662038956 /nfs/dbraw/zinc/03/89/56/662038956.db2.gz LXQXYAJQVFLYQU-CQSZACIVSA-N 1 0 399.289 2.712 20 5 GFBDRO CN1CCC([N@@H+]2CC[C@H](Nc3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000856731481 662039541 /nfs/dbraw/zinc/03/95/41/662039541.db2.gz PYUSYGFZJUAQOG-LBPRGKRZSA-N 1 0 383.290 2.938 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866709933 662491206 /nfs/dbraw/zinc/49/12/06/662491206.db2.gz NMFVMGWDIVRYMS-HIFRSBDPSA-N 1 0 396.285 2.843 20 5 GFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000867632253 662564526 /nfs/dbraw/zinc/56/45/26/662564526.db2.gz TYZCZJNDXNZBLM-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000867806670 662577734 /nfs/dbraw/zinc/57/77/34/662577734.db2.gz HJLURSCTWVCTKR-KOLCDFICSA-N 1 0 394.280 2.616 20 5 GFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868572519 662610355 /nfs/dbraw/zinc/61/03/55/662610355.db2.gz SHFXAAQZRJKDOC-KRWDZBQOSA-N 1 0 396.285 2.844 20 5 GFBDRO CN1CC[NH+](C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000879595304 662930234 /nfs/dbraw/zinc/93/02/34/662930234.db2.gz YBLAOFIJFKSTMT-UHFFFAOYSA-N 1 0 397.317 2.569 20 5 GFBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1C(C)(C)C ZINC000880612319 662964067 /nfs/dbraw/zinc/96/40/67/662964067.db2.gz IERODRCKAFOQAA-LBPRGKRZSA-N 1 0 385.262 2.555 20 5 GFBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000886297438 663107774 /nfs/dbraw/zinc/10/77/74/663107774.db2.gz RHZIVEZJOGPNSM-KRWDZBQOSA-N 1 0 392.253 2.762 20 5 GFBDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000889726943 663261300 /nfs/dbraw/zinc/26/13/00/663261300.db2.gz YQXVLFPBSGBACH-BXUZGUMPSA-N 1 0 399.289 2.981 20 5 GFBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000903577465 663789839 /nfs/dbraw/zinc/78/98/39/663789839.db2.gz LUESHSQBIPYSIP-JTQLQIEISA-N 1 0 382.269 2.664 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000903747098 663805696 /nfs/dbraw/zinc/80/56/96/663805696.db2.gz PHWWYNFNRCMHLW-INIZCTEOSA-N 1 0 377.242 2.899 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000923408379 664630048 /nfs/dbraw/zinc/63/00/48/664630048.db2.gz CKJVRDPSAHETHC-INIZCTEOSA-N 1 0 398.301 2.948 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935152417 664942963 /nfs/dbraw/zinc/94/29/63/664942963.db2.gz SZZXKMXBIOMDJP-SNVBAGLBSA-N 1 0 399.289 2.742 20 5 GFBDRO COC(=O)c1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164621106 719069238 /nfs/dbraw/zinc/06/92/38/719069238.db2.gz HGKLXUIUTASPCB-APWZRJJASA-N 1 0 396.447 2.877 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818465 720193586 /nfs/dbraw/zinc/19/35/86/720193586.db2.gz SWAFUSXNRQZWBO-IERDGZPVSA-N 1 0 397.479 2.723 20 5 GFBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]2C ZINC001164857024 720944074 /nfs/dbraw/zinc/94/40/74/720944074.db2.gz FPJHBPGSPYKNHX-GFCCVEGCSA-N 1 0 389.416 2.516 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164763231 721183802 /nfs/dbraw/zinc/18/38/02/721183802.db2.gz DUEDFZDBPZUBJK-ROUUACIJSA-N 1 0 392.463 2.835 20 5 GFBDRO Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164796689 721503416 /nfs/dbraw/zinc/50/34/16/721503416.db2.gz WAKZHBQXZQMZLD-UHFFFAOYSA-N 1 0 382.468 2.969 20 5 GFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901324 721520400 /nfs/dbraw/zinc/52/04/00/721520400.db2.gz WOPRPYVDAPMYNN-ZBFHGGJFSA-N 1 0 376.363 2.610 20 5 GFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901323 721520466 /nfs/dbraw/zinc/52/04/66/721520466.db2.gz WOPRPYVDAPMYNN-HOCLYGCPSA-N 1 0 376.363 2.610 20 5 GFBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001165025519 721815851 /nfs/dbraw/zinc/81/58/51/721815851.db2.gz NDFSJVCPKLZUTH-UWWQBHOKSA-N 1 0 382.468 2.704 20 5 GFBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)ncc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940440 721925172 /nfs/dbraw/zinc/92/51/72/721925172.db2.gz QJHZWJKPGSACHL-UHFFFAOYSA-N 1 0 397.479 2.873 20 5 GFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154009695 551465597 /nfs/dbraw/zinc/46/55/97/551465597.db2.gz HXLRURUZLWQVHE-CQSZACIVSA-N 1 0 384.274 2.890 20 5 GFBDRO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000155695205 551505756 /nfs/dbraw/zinc/50/57/56/551505756.db2.gz RUZUUCKNDOGBJD-NHYWBVRUSA-N 1 0 384.274 2.745 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176793032 552145639 /nfs/dbraw/zinc/14/56/39/552145639.db2.gz GPPDCWYDVJQWQP-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO C[C@@H]1CCC[N@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569555 552196727 /nfs/dbraw/zinc/19/67/27/552196727.db2.gz QBZLJLVFGHSOKV-GFCCVEGCSA-N 1 0 375.516 2.984 20 5 GFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2c(cc1Br)OCCO2 ZINC000180463101 552226590 /nfs/dbraw/zinc/22/65/90/552226590.db2.gz QUBNGYYONHCGKW-SNVBAGLBSA-N 1 0 397.229 2.676 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000183728174 552318059 /nfs/dbraw/zinc/31/80/59/552318059.db2.gz GJPAXFJOENSPDA-OLZOCXBDSA-N 1 0 389.905 2.907 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261663623 553155574 /nfs/dbraw/zinc/15/55/74/553155574.db2.gz GLEZMHOBFVQMGF-OAHLLOKOSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000277946422 563233643 /nfs/dbraw/zinc/23/36/43/563233643.db2.gz JGIHNSBOMOUFKN-IUCAKERBSA-N 1 0 376.276 2.974 20 5 GFBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000277946412 563233654 /nfs/dbraw/zinc/23/36/54/563233654.db2.gz JGIHNSBOMOUFKN-BDAKNGLRSA-N 1 0 376.276 2.974 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373066618 563327572 /nfs/dbraw/zinc/32/75/72/563327572.db2.gz TWRMWPWSZYQCKS-GZMMTYOYSA-N 1 0 388.649 2.835 20 5 GFBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc21 ZINC000373523243 563341606 /nfs/dbraw/zinc/34/16/06/563341606.db2.gz ULLVUSZBDVCUOX-NSHDSACASA-N 1 0 381.841 2.890 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375253964 563397406 /nfs/dbraw/zinc/39/74/06/563397406.db2.gz WLMMHNMXQCUBBN-UHFFFAOYSA-N 1 0 396.285 2.892 20 5 GFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCn1cc(Br)cn1 ZINC000285631144 563530365 /nfs/dbraw/zinc/53/03/65/563530365.db2.gz KJBPLHYAQAEWLD-LLVKDONJSA-N 1 0 396.245 2.561 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000408100144 563544866 /nfs/dbraw/zinc/54/48/66/563544866.db2.gz QJTITMKPXRUHNS-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430561643 563546177 /nfs/dbraw/zinc/54/61/77/563546177.db2.gz NHYKXKAVPVXROL-ZDUSSCGKSA-N 1 0 387.278 2.601 20 5 GFBDRO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000331356652 563547095 /nfs/dbraw/zinc/54/70/95/563547095.db2.gz SENCRHBRBNHWRS-TXEJJXNPSA-N 1 0 399.289 2.710 20 5 GFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289642370 563682224 /nfs/dbraw/zinc/68/22/24/563682224.db2.gz WSJOPYWSROQOIF-NOZJJQNGSA-N 1 0 376.194 2.714 20 5 GFBDRO Cc1c(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000415667651 563790900 /nfs/dbraw/zinc/79/09/00/563790900.db2.gz YJHXMZGZTIFADV-QMMMGPOBSA-N 1 0 381.177 2.770 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415706933 563791960 /nfs/dbraw/zinc/79/19/60/563791960.db2.gz VPHJPRXWEDVRRN-PHIMTYICSA-N 1 0 383.246 2.821 20 5 GFBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000444166528 563823598 /nfs/dbraw/zinc/82/35/98/563823598.db2.gz JITROCUQQSYUOI-UHFFFAOYSA-N 1 0 383.392 2.622 20 5 GFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000294378454 563840328 /nfs/dbraw/zinc/84/03/28/563840328.db2.gz ZVWFUNKZVFALCV-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000368521349 563872853 /nfs/dbraw/zinc/87/28/53/563872853.db2.gz DXQKPVMNSPSNLA-UHFFFAOYSA-N 1 0 387.889 2.638 20 5 GFBDRO CCC(CC)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000473953802 564260055 /nfs/dbraw/zinc/26/00/55/564260055.db2.gz VHSWFQUHAYILLL-AWEZNQCLSA-N 1 0 377.894 2.893 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477968852 564392333 /nfs/dbraw/zinc/39/23/33/564392333.db2.gz RVFDFPDGMDEDLX-UHFFFAOYSA-N 1 0 382.258 2.963 20 5 GFBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516606386 564507042 /nfs/dbraw/zinc/50/70/42/564507042.db2.gz KBXUEGKXHSVAHQ-ZDUSSCGKSA-N 1 0 378.210 2.696 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000518658881 564559505 /nfs/dbraw/zinc/55/95/05/564559505.db2.gz ZERAGMALEPVPRU-NWDGAFQWSA-N 1 0 375.878 2.789 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000549910944 564608998 /nfs/dbraw/zinc/60/89/98/564608998.db2.gz PKPNTGHDCSOERK-UHFFFAOYSA-N 1 0 375.878 2.793 20 5 GFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000485171954 564609224 /nfs/dbraw/zinc/60/92/24/564609224.db2.gz RHMWWTLPIVBHIP-ZDUSSCGKSA-N 1 0 387.278 2.689 20 5 GFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCn2cc(Br)cn2)n1 ZINC000556922958 564846943 /nfs/dbraw/zinc/84/69/43/564846943.db2.gz ZFDBBMIHOWOERO-STQMWFEESA-N 1 0 383.250 2.524 20 5 GFBDRO Cc1cc(Cl)cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000559251279 564927686 /nfs/dbraw/zinc/92/76/86/564927686.db2.gz RLXKWTWLJSJIFN-UHFFFAOYSA-N 1 0 383.857 2.625 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467066078 564954272 /nfs/dbraw/zinc/95/42/72/564954272.db2.gz ULUDSIZEZZIJEQ-GFCCVEGCSA-N 1 0 383.495 2.764 20 5 GFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000562996374 565051287 /nfs/dbraw/zinc/05/12/87/565051287.db2.gz PJJZEWWIHWZDOB-OAHLLOKOSA-N 1 0 395.253 2.929 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000584543631 565086733 /nfs/dbraw/zinc/08/67/33/565086733.db2.gz SLHHHULFKYLXTN-GFCCVEGCSA-N 1 0 382.258 2.974 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000595113937 565448800 /nfs/dbraw/zinc/44/88/00/565448800.db2.gz POWIDJNGSUVHKJ-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595412272 565474718 /nfs/dbraw/zinc/47/47/18/565474718.db2.gz XKKYZJVHXPOKLG-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000599098846 565657078 /nfs/dbraw/zinc/65/70/78/565657078.db2.gz CVZHWPAFVMSONB-GFCCVEGCSA-N 1 0 382.269 2.520 20 5 GFBDRO C[N@H+](CCCO)C1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602470165 565849622 /nfs/dbraw/zinc/84/96/22/565849622.db2.gz WVHBWOFTEOOPGU-UHFFFAOYSA-N 1 0 392.319 2.697 20 5 GFBDRO CSc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538313 565853534 /nfs/dbraw/zinc/85/35/34/565853534.db2.gz CBDNRUCBYJCZCO-WDEREUQCSA-N 1 0 377.388 2.916 20 5 GFBDRO CN(CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)S(C)(=O)=O ZINC000608836384 566025271 /nfs/dbraw/zinc/02/52/71/566025271.db2.gz SUBHKGVHJYJZHC-UHFFFAOYSA-N 1 0 383.495 2.694 20 5 GFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609353175 566036798 /nfs/dbraw/zinc/03/67/98/566036798.db2.gz PMYIEVPIQWRETK-VXGBXAGGSA-N 1 0 375.878 2.789 20 5 GFBDRO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609620261 566047361 /nfs/dbraw/zinc/04/73/61/566047361.db2.gz YRMQTJSCQHIUSB-HNNXBMFYSA-N 1 0 397.317 2.962 20 5 GFBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597675 599107775 /nfs/dbraw/zinc/10/77/75/599107775.db2.gz CEECNKWYIHMEIM-MRXNPFEDSA-N 1 0 393.451 2.733 20 5 GFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826499078 608464506 /nfs/dbraw/zinc/46/45/06/608464506.db2.gz VAXWIMLLMMFGOR-UHFFFAOYSA-N 1 0 392.419 2.943 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826272336 608468257 /nfs/dbraw/zinc/46/82/57/608468257.db2.gz DUUQQXJLUFGLET-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826272665 608491280 /nfs/dbraw/zinc/49/12/80/608491280.db2.gz VSIAJQCRIMBUIB-ZDUSSCGKSA-N 1 0 395.423 2.763 20 5 GFBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)c([N+](=O)[O-])cc1O ZINC000825338095 660421563 /nfs/dbraw/zinc/42/15/63/660421563.db2.gz LPHLVKJAAJSLGF-OAHLLOKOSA-N 1 0 397.225 2.895 20 5 GFBDRO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000827208150 660484576 /nfs/dbraw/zinc/48/45/76/660484576.db2.gz GZIOIXLPJQZKDF-UHFFFAOYSA-N 1 0 385.262 2.603 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Cl ZINC000830002433 660629322 /nfs/dbraw/zinc/62/93/22/660629322.db2.gz KDUPTIGFECWDMO-MNOVXSKESA-N 1 0 394.280 2.807 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C[NH+]1CCCC1 ZINC000830082840 660633628 /nfs/dbraw/zinc/63/36/28/660633628.db2.gz SLPRQPBIGRLXJO-SNVBAGLBSA-N 1 0 396.296 2.912 20 5 GFBDRO C[NH+]1CCC2(CC1)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CCO2 ZINC000830651357 660668874 /nfs/dbraw/zinc/66/88/74/660668874.db2.gz BBWLVAXDHKUUSO-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(Br)s2)cc1 ZINC000125547859 654797498 /nfs/dbraw/zinc/79/74/98/654797498.db2.gz SXVXDOCGZLULPE-TZMCWYRMSA-N 1 0 387.255 2.603 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000266658851 654888697 /nfs/dbraw/zinc/88/86/97/654888697.db2.gz LGSZUERVWLEHDN-HNNXBMFYSA-N 1 0 395.257 2.584 20 5 GFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940697 654953435 /nfs/dbraw/zinc/95/34/35/654953435.db2.gz RXJLIQLSESAMMX-RYUDHWBXSA-N 1 0 386.221 2.853 20 5 GFBDRO COCC[N@@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273094605 655130460 /nfs/dbraw/zinc/13/04/60/655130460.db2.gz GCKOLSPOUAQWHM-UHFFFAOYSA-N 1 0 387.889 2.521 20 5 GFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000273566651 655148504 /nfs/dbraw/zinc/14/85/04/655148504.db2.gz YLXIRDCTERWGEZ-CVEARBPZSA-N 1 0 381.523 2.969 20 5 GFBDRO C[N@H+](CCCO)C1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839494081 661087404 /nfs/dbraw/zinc/08/74/04/661087404.db2.gz KGLFPQCOMPEZLO-UHFFFAOYSA-N 1 0 386.290 2.636 20 5 GFBDRO CNC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000114215938 655218453 /nfs/dbraw/zinc/21/84/53/655218453.db2.gz FDOFEEFTBNIUSI-UHFFFAOYSA-N 1 0 382.214 2.843 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000176723515 655253561 /nfs/dbraw/zinc/25/35/61/655253561.db2.gz OVTQSXJXBSMVEW-TZMCWYRMSA-N 1 0 389.905 2.907 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000176937586 655262921 /nfs/dbraw/zinc/26/29/21/655262921.db2.gz UFBDYRSTAYRPOM-UHFFFAOYSA-N 1 0 387.889 2.934 20 5 GFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119619971 655308798 /nfs/dbraw/zinc/30/87/98/655308798.db2.gz RSKDZWXUGCNRBR-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C[NH+](C)C ZINC000120439315 655335953 /nfs/dbraw/zinc/33/59/53/655335953.db2.gz HSBFRBXKBGXKLP-NSHDSACASA-N 1 0 386.290 2.992 20 5 GFBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000579012449 655491572 /nfs/dbraw/zinc/49/15/72/655491572.db2.gz VSZJTBGEUOHZPS-GFCCVEGCSA-N 1 0 378.210 2.839 20 5 GFBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000728710447 655558474 /nfs/dbraw/zinc/55/84/74/655558474.db2.gz MDACRPQHSHAXKU-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732013202 655590566 /nfs/dbraw/zinc/59/05/66/655590566.db2.gz HSFPIMXSDARLAG-LLVKDONJSA-N 1 0 377.413 2.558 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000752233920 655841133 /nfs/dbraw/zinc/84/11/33/655841133.db2.gz WKFLAOPNORTPBC-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779892201 656957454 /nfs/dbraw/zinc/95/74/54/656957454.db2.gz DRAOKFTYYNWJHQ-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000788915421 657796769 /nfs/dbraw/zinc/79/67/69/657796769.db2.gz KSJUPDIHMROKGI-WBMJQRKESA-N 1 0 383.495 2.934 20 5 GFBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795883790 658867405 /nfs/dbraw/zinc/86/74/05/658867405.db2.gz VLIRVSVCLMMSEQ-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000797832922 659058269 /nfs/dbraw/zinc/05/82/69/659058269.db2.gz SDCCSARHPOHQPU-GFCCVEGCSA-N 1 0 375.878 2.708 20 5 GFBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000799155992 659168956 /nfs/dbraw/zinc/16/89/56/659168956.db2.gz JZQIJWSPGLVDLX-RFHZTLPTSA-N 1 0 387.278 2.773 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000809806640 659939891 /nfs/dbraw/zinc/93/98/91/659939891.db2.gz DCWGOTIBWMWNJH-UHFFFAOYSA-N 1 0 379.841 2.542 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000809808936 659940244 /nfs/dbraw/zinc/94/02/44/659940244.db2.gz BNOJEOGBXGXCGX-UHFFFAOYSA-N 1 0 391.852 2.540 20 5 GFBDRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486914 660010232 /nfs/dbraw/zinc/01/02/32/660010232.db2.gz JRFXEHORJGSOGR-NOZJJQNGSA-N 1 0 396.296 2.709 20 5 GFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000842012169 661319710 /nfs/dbraw/zinc/31/97/10/661319710.db2.gz YNERZAGSTNICJG-WDEREUQCSA-N 1 0 397.273 2.552 20 5 GFBDRO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2CN1 ZINC000842480998 661341222 /nfs/dbraw/zinc/34/12/22/661341222.db2.gz CTNLADWGBXGYCV-NSHDSACASA-N 1 0 381.841 2.935 20 5 GFBDRO O=[N+]([O-])c1ccc(I)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000842641205 661347225 /nfs/dbraw/zinc/34/72/25/661347225.db2.gz NTOANVFZMJNAIE-JTQLQIEISA-N 1 0 386.149 2.674 20 5 GFBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000842825593 661356524 /nfs/dbraw/zinc/35/65/24/661356524.db2.gz SOJFFMVMJZIPGV-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000848301068 661639854 /nfs/dbraw/zinc/63/98/54/661639854.db2.gz CEOCGWMJVCUOME-UHFFFAOYSA-N 1 0 385.262 2.699 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849411899 661718600 /nfs/dbraw/zinc/71/86/00/661718600.db2.gz XWLNSQCEMBWWLP-LBPRGKRZSA-N 1 0 389.905 2.955 20 5 GFBDRO CC[NH+]1CCC(N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865123881 662399983 /nfs/dbraw/zinc/39/99/83/662399983.db2.gz VWZZROVLNCMHAD-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044060 662458319 /nfs/dbraw/zinc/45/83/19/662458319.db2.gz OOAVYFJQQKAGDT-SMDDNHRTSA-N 1 0 384.274 2.698 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000866709932 662491061 /nfs/dbraw/zinc/49/10/61/662491061.db2.gz NMFVMGWDIVRYMS-DZGCQCFKSA-N 1 0 396.285 2.843 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000867806668 662577714 /nfs/dbraw/zinc/57/77/14/662577714.db2.gz HJLURSCTWVCTKR-GXSJLCMTSA-N 1 0 394.280 2.616 20 5 GFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868335050 662602164 /nfs/dbraw/zinc/60/21/64/662602164.db2.gz BWAMDFZIXSQMKD-WFASDCNBSA-N 1 0 396.285 2.985 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877265235 662872793 /nfs/dbraw/zinc/87/27/93/662872793.db2.gz ABLJKEUNYQTTCG-JOYOIKCWSA-N 1 0 386.221 2.711 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(F)(F)F ZINC000877366307 662874713 /nfs/dbraw/zinc/87/47/13/662874713.db2.gz VEWZJUCTKQPVDZ-OIBJUYFYSA-N 1 0 396.163 2.567 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879519204 662928336 /nfs/dbraw/zinc/92/83/36/662928336.db2.gz OYJQYEHEZJGISS-YGRLFVJLSA-N 1 0 383.246 2.915 20 5 GFBDRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892880485 663388118 /nfs/dbraw/zinc/38/81/18/663388118.db2.gz AXQKVUHROZWBPH-UHFFFAOYSA-N 1 0 384.841 2.820 20 5 GFBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000897585743 663612403 /nfs/dbraw/zinc/61/24/03/663612403.db2.gz VKQCMMGPHDHLDH-OAHLLOKOSA-N 1 0 394.230 2.569 20 5 GFBDRO CC(C)[NH+]1CCN(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000908075041 664081516 /nfs/dbraw/zinc/08/15/16/664081516.db2.gz GJSVTRBOGCAHJF-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630153 719086109 /nfs/dbraw/zinc/08/61/09/719086109.db2.gz VQBIXOXRPNTEIJ-DOTOQJQBSA-N 1 0 388.855 2.982 20 5 GFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625848 719112962 /nfs/dbraw/zinc/11/29/62/719112962.db2.gz HEMJMSQGHWOHRG-LPHOPBHVSA-N 1 0 396.447 2.877 20 5 GFBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806872 720072721 /nfs/dbraw/zinc/07/27/21/720072721.db2.gz DMTUBMCDRVJVHZ-KSSFIOAISA-N 1 0 380.876 2.828 20 5 GFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cnc2c1 ZINC001164722166 720351635 /nfs/dbraw/zinc/35/16/35/720351635.db2.gz FGXZCHJCBDSRQX-RTBURBONSA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1 ZINC001164729055 720372501 /nfs/dbraw/zinc/37/25/01/720372501.db2.gz UWIUFSADPWETHU-RTBURBONSA-N 1 0 376.420 2.786 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2ccccc21 ZINC001164728876 720561802 /nfs/dbraw/zinc/56/18/02/720561802.db2.gz OQPWMPGETAXAGF-UHFFFAOYSA-N 1 0 392.463 2.998 20 5 GFBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164767089 721280809 /nfs/dbraw/zinc/28/08/09/721280809.db2.gz FUHLGLQXORKAHM-UHFFFAOYSA-N 1 0 394.859 2.742 20 5 GFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165010169 721736286 /nfs/dbraw/zinc/73/62/86/721736286.db2.gz DPWLHPRDJVIRQR-UHFFFAOYSA-N 1 0 397.479 2.666 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122399847 551297505 /nfs/dbraw/zinc/29/75/05/551297505.db2.gz HBZAUZNCFMGFML-TZMCWYRMSA-N 1 0 387.889 2.661 20 5 GFBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000125267096 551321319 /nfs/dbraw/zinc/32/13/19/551321319.db2.gz ITADJFCRLJHAPB-UHFFFAOYSA-N 1 0 389.524 2.779 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127359876 551340348 /nfs/dbraw/zinc/34/03/48/551340348.db2.gz HCLCNHXDOOBCDT-LBPRGKRZSA-N 1 0 382.258 2.915 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000131269690 551373299 /nfs/dbraw/zinc/37/32/99/551373299.db2.gz CTJSFABXMGITEP-RYUDHWBXSA-N 1 0 375.878 2.647 20 5 GFBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000151793884 551421310 /nfs/dbraw/zinc/42/13/10/551421310.db2.gz TUJIXROLEQYXAV-UHFFFAOYSA-N 1 0 375.878 2.647 20 5 GFBDRO CC(C)C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000153168941 551448222 /nfs/dbraw/zinc/44/82/22/551448222.db2.gz WNOFKWCBRHBKFU-CQSZACIVSA-N 1 0 386.290 2.992 20 5 GFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154009804 551465413 /nfs/dbraw/zinc/46/54/13/551465413.db2.gz HXLRURUZLWQVHE-AWEZNQCLSA-N 1 0 384.274 2.890 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000155214364 551494688 /nfs/dbraw/zinc/49/46/88/551494688.db2.gz KAHFEGHPXQGJEP-OLZOCXBDSA-N 1 0 384.274 2.889 20 5 GFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177702714 552157179 /nfs/dbraw/zinc/15/71/79/552157179.db2.gz WOCJNHIEMQPIQW-CYBMUJFWSA-N 1 0 399.289 2.712 20 5 GFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000179844088 552204937 /nfs/dbraw/zinc/20/49/37/552204937.db2.gz AMZYNEJRCBQFHO-SNVBAGLBSA-N 1 0 386.246 2.701 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000181510281 552258790 /nfs/dbraw/zinc/25/87/90/552258790.db2.gz GWYGGCKBAJPQGL-CYBMUJFWSA-N 1 0 383.495 2.902 20 5 GFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000182664355 552290282 /nfs/dbraw/zinc/29/02/82/552290282.db2.gz XDTGULFKSJZLEL-YPMHNXCESA-N 1 0 382.258 2.914 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000186311721 552384759 /nfs/dbraw/zinc/38/47/59/552384759.db2.gz KTNSXUWCRHQTFW-UHFFFAOYSA-N 1 0 389.905 2.909 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246103204 553102366 /nfs/dbraw/zinc/10/23/66/553102366.db2.gz HPBPPBHJEXYSIB-YGRLFVJLSA-N 1 0 375.878 2.517 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261663621 553155663 /nfs/dbraw/zinc/15/56/63/553155663.db2.gz GLEZMHOBFVQMGF-HNNXBMFYSA-N 1 0 382.258 2.962 20 5 GFBDRO CN(CC1([NH+](C)C)CCC1)c1c(I)cncc1[N+](=O)[O-] ZINC000418927903 563230928 /nfs/dbraw/zinc/23/09/28/563230928.db2.gz XSTJXHIAMWZRCR-UHFFFAOYSA-N 1 0 390.225 2.515 20 5 GFBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370382291 563241999 /nfs/dbraw/zinc/24/19/99/563241999.db2.gz RNCGACWNYWYNJB-WBMJQRKESA-N 1 0 381.479 2.628 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]1c1cccc(Br)c1 ZINC000371754551 563286756 /nfs/dbraw/zinc/28/67/56/563286756.db2.gz UKAXBFASFPYYCK-HNNXBMFYSA-N 1 0 378.226 2.966 20 5 GFBDRO C[NH+](C)C1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000301164593 563394931 /nfs/dbraw/zinc/39/49/31/563394931.db2.gz CHPXOHWALXZAIU-UHFFFAOYSA-N 1 0 375.210 2.730 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322402299 563449917 /nfs/dbraw/zinc/44/99/17/563449917.db2.gz VKYUEWPVOIOSHO-XHDPSFHLSA-N 1 0 382.258 2.962 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000324705433 563452851 /nfs/dbraw/zinc/45/28/51/563452851.db2.gz ZOWUEZFIRGKLLH-MRXNPFEDSA-N 1 0 395.253 2.929 20 5 GFBDRO C[C@]12CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284667914 563485698 /nfs/dbraw/zinc/48/56/98/563485698.db2.gz GTCBJNYHYMRGGX-DFBGVHRSSA-N 1 0 375.252 2.850 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000378023245 563494255 /nfs/dbraw/zinc/49/42/55/563494255.db2.gz LHGFPLMTWIWHKS-CYBMUJFWSA-N 1 0 387.889 2.567 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378234336 563499466 /nfs/dbraw/zinc/49/94/66/563499466.db2.gz VHTZGEXKZHXBBU-TZMCWYRMSA-N 1 0 387.889 2.709 20 5 GFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431896012 563570980 /nfs/dbraw/zinc/57/09/80/563570980.db2.gz JZGGPDOVZQHVST-CHWSQXEVSA-N 1 0 375.516 2.835 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])s1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572315 563653457 /nfs/dbraw/zinc/65/34/57/563653457.db2.gz DQYKUKFWQXULJI-GFCCVEGCSA-N 1 0 378.479 2.897 20 5 GFBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000289136663 563669034 /nfs/dbraw/zinc/66/90/34/563669034.db2.gz FGVMVIHCCRRVKY-ZJUUUORDSA-N 1 0 378.479 2.987 20 5 GFBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000289473556 563675298 /nfs/dbraw/zinc/67/52/98/563675298.db2.gz HOGUEPGPCDQJSF-SECBINFHSA-N 1 0 386.193 2.784 20 5 GFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289642374 563682192 /nfs/dbraw/zinc/68/21/92/563682192.db2.gz WSJOPYWSROQOIF-RNCFNFMXSA-N 1 0 376.194 2.714 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000290815546 563722838 /nfs/dbraw/zinc/72/28/38/563722838.db2.gz SNDXSPLYLRNABN-NSHDSACASA-N 1 0 393.868 2.740 20 5 GFBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415710495 563792761 /nfs/dbraw/zinc/79/27/61/563792761.db2.gz ZGGJPZVZSNVCOD-PELKAZGASA-N 1 0 387.234 2.592 20 5 GFBDRO C[NH+]1CCN([C@@H]2CCCCN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000366826974 563820994 /nfs/dbraw/zinc/82/09/94/563820994.db2.gz TYMJOIXFYXTCAW-OAHLLOKOSA-N 1 0 397.317 2.964 20 5 GFBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416557083 563847602 /nfs/dbraw/zinc/84/76/02/563847602.db2.gz MVVNNQHZHNRKFK-UHFFFAOYSA-N 1 0 383.495 2.550 20 5 GFBDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000537946094 564178576 /nfs/dbraw/zinc/17/85/76/564178576.db2.gz MMIMZECHTXOGLM-ZDUSSCGKSA-N 1 0 383.495 2.902 20 5 GFBDRO O=[N+]([O-])c1nn(CCC[NH+]2CCN(c3ccccc3)CC2)cc1Br ZINC000505564350 564185475 /nfs/dbraw/zinc/18/54/75/564185475.db2.gz MXPZYQDJKUBEEV-UHFFFAOYSA-N 1 0 394.273 2.766 20 5 GFBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000565716090 564292985 /nfs/dbraw/zinc/29/29/85/564292985.db2.gz HCHHJLFDRNOYEJ-UHFFFAOYSA-N 1 0 375.878 2.778 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000542691574 564320515 /nfs/dbraw/zinc/32/05/15/564320515.db2.gz RHNHGJQKGDYCBV-UHFFFAOYSA-N 1 0 375.878 2.663 20 5 GFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452011486 564381578 /nfs/dbraw/zinc/38/15/78/564381578.db2.gz GSLOMZHXKMHUEX-ZIAGYGMSSA-N 1 0 386.246 2.843 20 5 GFBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2C1 ZINC000568500415 564421346 /nfs/dbraw/zinc/42/13/46/564421346.db2.gz ILERZKDAIKOWEQ-LLVKDONJSA-N 1 0 391.225 2.821 20 5 GFBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000453622018 564460070 /nfs/dbraw/zinc/46/00/70/564460070.db2.gz ANZDOOWGKLYPEB-TVQRCGJNSA-N 1 0 376.194 2.857 20 5 GFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000570045791 564489865 /nfs/dbraw/zinc/48/98/65/564489865.db2.gz FNODOEVWWQYRIY-RKDXNWHRSA-N 1 0 386.239 2.943 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455395626 564552706 /nfs/dbraw/zinc/55/27/06/564552706.db2.gz BMISMYFUIPDHGP-HNNXBMFYSA-N 1 0 383.246 2.917 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Br)cc1 ZINC000574565097 564678890 /nfs/dbraw/zinc/67/88/90/564678890.db2.gz HJLSDJHLRLSEDD-CQSZACIVSA-N 1 0 381.226 2.887 20 5 GFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Br)s1 ZINC000574551369 564679007 /nfs/dbraw/zinc/67/90/07/564679007.db2.gz KUENFGMZKHWFDR-SNVBAGLBSA-N 1 0 387.255 2.948 20 5 GFBDRO Cc1c(NC(=O)NCCc2cn(C)cn2)cc(Br)cc1[N+](=O)[O-] ZINC000459549504 564750601 /nfs/dbraw/zinc/75/06/01/564750601.db2.gz RSSQGKVXDRTTOE-UHFFFAOYSA-N 1 0 382.218 2.763 20 5 GFBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579890450 564753265 /nfs/dbraw/zinc/75/32/65/564753265.db2.gz UXRCFTZGZJNVCV-DGCLKSJQSA-N 1 0 376.194 2.857 20 5 GFBDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C12CCC2 ZINC000459749211 564759985 /nfs/dbraw/zinc/75/99/85/564759985.db2.gz GZKOGXRYNIBHAA-KGLIPLIRSA-N 1 0 398.257 2.843 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000580643322 564767460 /nfs/dbraw/zinc/76/74/60/564767460.db2.gz DIOHKAKPHFFEGZ-CYBMUJFWSA-N 1 0 390.221 2.840 20 5 GFBDRO C[C@H](O)[C@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000583410074 564890526 /nfs/dbraw/zinc/89/05/26/564890526.db2.gz SBCMVKUOVSNVNU-JQWIXIFHSA-N 1 0 390.221 2.792 20 5 GFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCn1cc(Br)cn1)OCCO2 ZINC000588931925 565145694 /nfs/dbraw/zinc/14/56/94/565145694.db2.gz MSHBBHBYLLEIKU-UHFFFAOYSA-N 1 0 397.229 2.505 20 5 GFBDRO CS(=O)(=O)CC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000594950945 565437069 /nfs/dbraw/zinc/43/70/69/565437069.db2.gz LORBLYFCNIJQAR-UHFFFAOYSA-N 1 0 378.397 2.501 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000594971331 565438815 /nfs/dbraw/zinc/43/88/15/565438815.db2.gz FCFBFVQUGGMMQB-NSHDSACASA-N 1 0 398.147 2.713 20 5 GFBDRO CCC[N@@H+]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000595352715 565467289 /nfs/dbraw/zinc/46/72/89/565467289.db2.gz BZFSWTNZKCOPMN-JTQLQIEISA-N 1 0 382.269 2.664 20 5 GFBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601502187 565788209 /nfs/dbraw/zinc/78/82/09/565788209.db2.gz MOMZFERXMUDFSB-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000603658837 565912951 /nfs/dbraw/zinc/91/29/51/565912951.db2.gz FBIJVHYKJUOGEP-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO CN(C)c1cc[nH+]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000612347440 566158785 /nfs/dbraw/zinc/15/87/85/566158785.db2.gz XGZAMGXNWDOYHE-UHFFFAOYSA-N 1 0 379.214 3.000 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267830 598869945 /nfs/dbraw/zinc/86/99/45/598869945.db2.gz PKKRBUGVYPVJEI-GJZGRUSLSA-N 1 0 385.472 2.866 20 5 GFBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597674 599106912 /nfs/dbraw/zinc/10/69/12/599106912.db2.gz CEECNKWYIHMEIM-INIZCTEOSA-N 1 0 393.451 2.733 20 5 GFBDRO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000820711410 599477909 /nfs/dbraw/zinc/47/79/09/599477909.db2.gz YQDFDYHFISFWHH-CHWSQXEVSA-N 1 0 396.455 2.855 20 5 GFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000822228939 606417413 /nfs/dbraw/zinc/41/74/13/606417413.db2.gz IZODWYHBLBJOPW-OLZOCXBDSA-N 1 0 395.423 2.761 20 5 GFBDRO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000821581379 606715416 /nfs/dbraw/zinc/71/54/16/606715416.db2.gz JQZKDLXGUCVXRK-CYBMUJFWSA-N 1 0 388.819 2.538 20 5 GFBDRO C[C@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000820664512 606716302 /nfs/dbraw/zinc/71/63/02/606716302.db2.gz AZUXKOPIKUBEFS-ZFWWWQNUSA-N 1 0 394.439 2.635 20 5 GFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820120813 606857182 /nfs/dbraw/zinc/85/71/82/606857182.db2.gz KDHJYMBUZQAILD-SFHVURJKSA-N 1 0 382.424 2.719 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823639871 606998659 /nfs/dbraw/zinc/99/86/59/606998659.db2.gz KCNPUVIFQTWJKW-UHFFFAOYSA-N 1 0 379.424 2.534 20 5 GFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000820226339 607085417 /nfs/dbraw/zinc/08/54/17/607085417.db2.gz UXUNWSASSRESTD-OLZOCXBDSA-N 1 0 395.423 2.843 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826498761 608398418 /nfs/dbraw/zinc/39/84/18/608398418.db2.gz ITJDPFRGRUFUQH-UHFFFAOYSA-N 1 0 398.398 2.957 20 5 GFBDRO C[N@@H+]1CC[C@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000822788217 660354400 /nfs/dbraw/zinc/35/44/00/660354400.db2.gz DAVBHOVROWKVQX-LLVKDONJSA-N 1 0 382.258 2.584 20 5 GFBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)[NH+]1CCCCC1 ZINC000828348472 660544528 /nfs/dbraw/zinc/54/45/28/660544528.db2.gz IFJDPFHENLYHJN-LLVKDONJSA-N 1 0 385.262 2.747 20 5 GFBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830787090 660679523 /nfs/dbraw/zinc/67/95/23/660679523.db2.gz PDLZATUFOAJRFT-UHFFFAOYSA-N 1 0 384.285 2.864 20 5 GFBDRO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000129131645 654857517 /nfs/dbraw/zinc/85/75/17/654857517.db2.gz JVFSNEDBHFAIQB-CYBMUJFWSA-N 1 0 375.516 2.982 20 5 GFBDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066870648 654919095 /nfs/dbraw/zinc/91/90/95/654919095.db2.gz IOMVQYOOGDNYCM-UHFFFAOYSA-N 1 0 387.458 2.548 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132972273 654950430 /nfs/dbraw/zinc/95/04/30/654950430.db2.gz WAYUIGXCBNNKJG-UKRRQHHQSA-N 1 0 399.289 2.932 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069797688 654986684 /nfs/dbraw/zinc/98/66/84/654986684.db2.gz TYVFHACIMNQKGJ-CYBMUJFWSA-N 1 0 384.274 2.906 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707822 655124211 /nfs/dbraw/zinc/12/42/11/655124211.db2.gz SEORVQHERGNKTE-CYBMUJFWSA-N 1 0 387.889 2.887 20 5 GFBDRO Cc1cc(N2CCC([N@H+](C)CCCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000276552760 655278969 /nfs/dbraw/zinc/27/89/69/655278969.db2.gz FLOOSNNHLAJKAW-UHFFFAOYSA-N 1 0 386.290 2.949 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])n1 ZINC000178547651 655304635 /nfs/dbraw/zinc/30/46/35/655304635.db2.gz NKNKIKNUZCQREX-NSHDSACASA-N 1 0 378.479 2.932 20 5 GFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000119710707 655312106 /nfs/dbraw/zinc/31/21/06/655312106.db2.gz MMWXLSVLOFBSBX-GFCCVEGCSA-N 1 0 384.274 2.890 20 5 GFBDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119713265 655312147 /nfs/dbraw/zinc/31/21/47/655312147.db2.gz RTVBRJLULUEXOT-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000289437422 655349241 /nfs/dbraw/zinc/34/92/41/655349241.db2.gz FOZQNSGQLSAPKF-SKDRFNHKSA-N 1 0 376.194 2.857 20 5 GFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000294125312 655365331 /nfs/dbraw/zinc/36/53/31/655365331.db2.gz MAVKETHWGYVXTL-INIZCTEOSA-N 1 0 382.258 2.915 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264670087 655468259 /nfs/dbraw/zinc/46/82/59/655468259.db2.gz WCDQQARRFXMRPV-CHWSQXEVSA-N 1 0 375.397 2.630 20 5 GFBDRO CN(CC[NH+]1CCCC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580380757 655511880 /nfs/dbraw/zinc/51/18/80/655511880.db2.gz ZXCKIVBDOFNLOM-UHFFFAOYSA-N 1 0 389.237 2.727 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752234043 655841129 /nfs/dbraw/zinc/84/11/29/655841129.db2.gz CRJOGAXMPIDFLR-LLVKDONJSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000770428116 656318999 /nfs/dbraw/zinc/31/89/99/656318999.db2.gz TUIZUIKPQWJHAT-UHFFFAOYSA-N 1 0 387.889 2.709 20 5 GFBDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000776002102 656701889 /nfs/dbraw/zinc/70/18/89/656701889.db2.gz SBZOHUCHWLUFBR-WKPIXPDZSA-N 1 0 386.905 2.553 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000841526880 661289976 /nfs/dbraw/zinc/28/99/76/661289976.db2.gz BBLRLOIVBAWWHO-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000782082417 657101651 /nfs/dbraw/zinc/10/16/51/657101651.db2.gz DJFULGDGYNUSTP-HZPDHXFCSA-N 1 0 381.226 2.714 20 5 GFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798163997 659077356 /nfs/dbraw/zinc/07/73/56/659077356.db2.gz CFNDAIKRAXSHHJ-TUAOUCFPSA-N 1 0 399.289 2.849 20 5 GFBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000798223085 659083045 /nfs/dbraw/zinc/08/30/45/659083045.db2.gz DZJVPLXZSZEOMX-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO CC(C)[NH+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000798224842 659084745 /nfs/dbraw/zinc/08/47/45/659084745.db2.gz OGRMGUDXXXASKG-UHFFFAOYSA-N 1 0 381.857 2.784 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806157058 659826522 /nfs/dbraw/zinc/82/65/22/659826522.db2.gz AXGYHDBKSSJJQM-CQSZACIVSA-N 1 0 381.841 2.694 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000815039753 660105892 /nfs/dbraw/zinc/10/58/92/660105892.db2.gz MPPHNZOGKUPAGW-UHFFFAOYSA-N 1 0 391.852 2.540 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000817147758 660183686 /nfs/dbraw/zinc/18/36/86/660183686.db2.gz RYYCTFMAUDXIFC-UHFFFAOYSA-N 1 0 375.878 2.708 20 5 GFBDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841954534 661318531 /nfs/dbraw/zinc/31/85/31/661318531.db2.gz SXKWIZMDHCFKKA-LLVKDONJSA-N 1 0 399.289 2.798 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000842483699 661341619 /nfs/dbraw/zinc/34/16/19/661341619.db2.gz OWNKCJAVHDUDAR-KGLIPLIRSA-N 1 0 387.889 2.852 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842876898 661358439 /nfs/dbraw/zinc/35/84/39/661358439.db2.gz ZZHNDYHNIFFZKR-QWHCGFSZSA-N 1 0 387.889 2.649 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000849411466 661718228 /nfs/dbraw/zinc/71/82/28/661718228.db2.gz KFZSCDNXTJDOOR-LBPRGKRZSA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849411898 661718519 /nfs/dbraw/zinc/71/85/19/661718519.db2.gz XWLNSQCEMBWWLP-GFCCVEGCSA-N 1 0 389.905 2.955 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@@H]21 ZINC000867809187 662578261 /nfs/dbraw/zinc/57/82/61/662578261.db2.gz QCKJJZPWUAEWGZ-SKDRFNHKSA-N 1 0 394.280 2.616 20 5 GFBDRO CC1([NH+]2CCCCC2)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000872663319 662784292 /nfs/dbraw/zinc/78/42/92/662784292.db2.gz CUHLMLXTEYHYRR-UHFFFAOYSA-N 1 0 387.527 2.905 20 5 GFBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874833452 662837812 /nfs/dbraw/zinc/83/78/12/662837812.db2.gz NBGVBAMHFFSCFH-KGLIPLIRSA-N 1 0 382.258 2.974 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3COc4cccc(Br)c4C3)C2)c1 ZINC000877758468 662882897 /nfs/dbraw/zinc/88/28/97/662882897.db2.gz BZGYDUAMRZWPMR-MOENNCHZSA-N 1 0 393.241 2.851 20 5 GFBDRO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000879664523 662935165 /nfs/dbraw/zinc/93/51/65/662935165.db2.gz ZYIYRAZOAIYGRS-CQSZACIVSA-N 1 0 383.246 2.840 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000883093478 663048738 /nfs/dbraw/zinc/04/87/38/663048738.db2.gz XBDDOHTVRZAXRW-UHFFFAOYSA-N 1 0 397.273 2.783 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000884957230 663079632 /nfs/dbraw/zinc/07/96/32/663079632.db2.gz MWQPGJKNILWOLN-ZJUUUORDSA-N 1 0 394.280 2.807 20 5 GFBDRO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000886938116 663125465 /nfs/dbraw/zinc/12/54/65/663125465.db2.gz FKNTWLURMMRDOP-QMMMGPOBSA-N 1 0 393.188 2.724 20 5 GFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889719163 663259704 /nfs/dbraw/zinc/25/97/04/663259704.db2.gz PETNWIPGKYTKNT-ZDUSSCGKSA-N 1 0 385.262 2.593 20 5 GFBDRO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000889726946 663261370 /nfs/dbraw/zinc/26/13/70/663261370.db2.gz YQXVLFPBSGBACH-SMDDNHRTSA-N 1 0 399.289 2.981 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ncc(Br)cn3)CC2)cc1 ZINC000903318034 663781220 /nfs/dbraw/zinc/78/12/20/663781220.db2.gz HCHIQIULDFCXEQ-UHFFFAOYSA-N 1 0 392.257 2.906 20 5 GFBDRO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903481322 663785515 /nfs/dbraw/zinc/78/55/15/663785515.db2.gz YWSAHPRJQOCDOE-KOLCDFICSA-N 1 0 380.246 2.802 20 5 GFBDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000905358738 663867317 /nfs/dbraw/zinc/86/73/17/663867317.db2.gz IZTGILVAEDXXES-HNNXBMFYSA-N 1 0 387.889 2.647 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2SC(F)(F)F)c1 ZINC000905698030 663887169 /nfs/dbraw/zinc/88/71/69/663887169.db2.gz DZMNKJONFCFBQU-GFCCVEGCSA-N 1 0 376.360 2.554 20 5 GFBDRO C[NH+]1CCC(OCC(=O)OCc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923786065 664637837 /nfs/dbraw/zinc/63/78/37/664637837.db2.gz BBVQSLKNYFNGCS-UHFFFAOYSA-N 1 0 387.230 2.511 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497552 664909486 /nfs/dbraw/zinc/90/94/86/664909486.db2.gz VTRDJFIABNNTHK-SJORKVTESA-N 1 0 395.253 2.888 20 5 GFBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627167 719077746 /nfs/dbraw/zinc/07/77/46/719077746.db2.gz PNEBCMCPGIPYIY-IRXDYDNUSA-N 1 0 383.452 2.803 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809063 720105656 /nfs/dbraw/zinc/10/56/56/720105656.db2.gz GNVVAOJTOOKDDH-IIBYNOLFSA-N 1 0 397.479 2.723 20 5 GFBDRO Cc1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164853946 720923141 /nfs/dbraw/zinc/92/31/41/720923141.db2.gz CKQCQPAOZQLGKF-GFCCVEGCSA-N 1 0 393.879 2.965 20 5 GFBDRO Cc1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164767245 721104424 /nfs/dbraw/zinc/10/44/24/721104424.db2.gz LZZFVVAORYWLOU-CABCVRRESA-N 1 0 390.875 2.643 20 5 GFBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164905804 721546233 /nfs/dbraw/zinc/54/62/33/721546233.db2.gz IJYHREVXUPKYJE-ZBFHGGJFSA-N 1 0 397.410 2.952 20 5 GFBDRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001164925989 721873304 /nfs/dbraw/zinc/87/33/04/721873304.db2.gz PNDLLMRKFMVKST-RBUKOAKNSA-N 1 0 396.495 2.575 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121826637 551243177 /nfs/dbraw/zinc/24/31/77/551243177.db2.gz PAZGCSSKQCPNOZ-LBPRGKRZSA-N 1 0 382.258 2.915 20 5 GFBDRO CN(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000158271271 551549680 /nfs/dbraw/zinc/54/96/80/551549680.db2.gz ATCLPZBOJNQMCM-QPJJXVBHSA-N 1 0 381.479 2.580 20 5 GFBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(F)c(Cl)cc1Cl ZINC000174662266 552108014 /nfs/dbraw/zinc/10/80/14/552108014.db2.gz GIBXOADXEZGJNY-WCBMZHEXSA-N 1 0 377.203 2.949 20 5 GFBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000180939971 552240550 /nfs/dbraw/zinc/24/05/50/552240550.db2.gz IMFFPZRTLALYCI-GFCCVEGCSA-N 1 0 383.495 2.902 20 5 GFBDRO CC[NH+](CC)CCN(CC(C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181532350 552259885 /nfs/dbraw/zinc/25/98/85/552259885.db2.gz QROWSXXMGJNUSK-UHFFFAOYSA-N 1 0 377.532 2.864 20 5 GFBDRO CC1(C)CN(CCNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000182573613 552287703 /nfs/dbraw/zinc/28/77/03/552287703.db2.gz OCDODWHGCNBIIW-UHFFFAOYSA-N 1 0 387.889 2.567 20 5 GFBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1Br ZINC000188670822 552451430 /nfs/dbraw/zinc/45/14/30/552451430.db2.gz QFGIVCGSXMBANT-UHFFFAOYSA-N 1 0 376.210 2.891 20 5 GFBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000237926249 553084095 /nfs/dbraw/zinc/08/40/95/553084095.db2.gz HPVCDCUFGIWEDA-ZDUSSCGKSA-N 1 0 384.223 2.554 20 5 GFBDRO C[NH2+]CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000261971539 553163647 /nfs/dbraw/zinc/16/36/47/553163647.db2.gz BLVVPXHMJPOLCX-UHFFFAOYSA-N 1 0 388.237 2.958 20 5 GFBDRO CCC[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564761268 564248149 /nfs/dbraw/zinc/24/81/49/564248149.db2.gz VIMREGXVWXZIFH-ZDUSSCGKSA-N 1 0 378.210 2.840 20 5 GFBDRO CC[NH+](CC)[C@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418910550 563229973 /nfs/dbraw/zinc/22/99/73/563229973.db2.gz OULMRMAACOGTLE-JTQLQIEISA-N 1 0 390.225 2.515 20 5 GFBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCSC1 ZINC000295125328 563230210 /nfs/dbraw/zinc/23/02/10/563230210.db2.gz HMJBXUVGYUBSLI-CQSZACIVSA-N 1 0 377.388 2.781 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000374115441 563362709 /nfs/dbraw/zinc/36/27/09/563362709.db2.gz RHSGXIASNIKJJI-CHWSQXEVSA-N 1 0 387.889 2.709 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423974464 563366454 /nfs/dbraw/zinc/36/64/54/563366454.db2.gz NMLGDUBCQGMMQP-NHYWBVRUSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374315744 563368157 /nfs/dbraw/zinc/36/81/57/563368157.db2.gz ZJEVFWHUBRQCJW-CJNGLKHVSA-N 1 0 397.317 2.820 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375029002 563387808 /nfs/dbraw/zinc/38/78/08/563387808.db2.gz AFKAJENXJSBGSC-NHYWBVRUSA-N 1 0 382.258 2.832 20 5 GFBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000301443323 563403770 /nfs/dbraw/zinc/40/37/70/563403770.db2.gz JEVWFHMCJSWARU-LBPRGKRZSA-N 1 0 385.205 2.650 20 5 GFBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425480078 563424366 /nfs/dbraw/zinc/42/43/66/563424366.db2.gz OUJNOEHBORJQJB-JKSUJKDBSA-N 1 0 384.274 2.652 20 5 GFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000327693425 563459126 /nfs/dbraw/zinc/45/91/26/563459126.db2.gz KPMLGFAQDJWTQY-UHFFFAOYSA-N 1 0 375.466 2.722 20 5 GFBDRO O=C(N[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1)C1CCC1 ZINC000378350360 563503552 /nfs/dbraw/zinc/50/35/52/563503552.db2.gz RRWQXWXKOOTYQC-CYBMUJFWSA-N 1 0 382.258 2.848 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285538960 563525889 /nfs/dbraw/zinc/52/58/89/563525889.db2.gz HUPVPQXJWQMBGL-IAQYHMDHSA-N 1 0 382.258 2.832 20 5 GFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431896015 563570489 /nfs/dbraw/zinc/57/04/89/563570489.db2.gz JZGGPDOVZQHVST-STQMWFEESA-N 1 0 375.516 2.835 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332103490 563576097 /nfs/dbraw/zinc/57/60/97/563576097.db2.gz ZAQAZGHVGLPCHJ-WFASDCNBSA-N 1 0 387.889 2.804 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332649422 563609535 /nfs/dbraw/zinc/60/95/35/563609535.db2.gz LDYTXTBHFRAURA-HNNXBMFYSA-N 1 0 396.285 2.987 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332695414 563612626 /nfs/dbraw/zinc/61/26/26/563612626.db2.gz XBXYZDSBBSXPJI-WDEREUQCSA-N 1 0 383.246 2.739 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332695413 563612668 /nfs/dbraw/zinc/61/26/68/563612668.db2.gz XBXYZDSBBSXPJI-QWRGUYRKSA-N 1 0 383.246 2.739 20 5 GFBDRO C[N@H+](CCC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000289565276 563678681 /nfs/dbraw/zinc/67/86/81/563678681.db2.gz JFRDOCXCKOCKLH-UHFFFAOYSA-N 1 0 382.214 2.925 20 5 GFBDRO C[C@@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000564416872 564233292 /nfs/dbraw/zinc/23/32/92/564233292.db2.gz IXEMAVBKDPAYOC-ZDUSSCGKSA-N 1 0 376.194 2.716 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000541386406 564276686 /nfs/dbraw/zinc/27/66/86/564276686.db2.gz JXZDARDDHPTYAF-GFCCVEGCSA-N 1 0 375.878 2.791 20 5 GFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000475836011 564322238 /nfs/dbraw/zinc/32/22/38/564322238.db2.gz NNZKBYMIAUIZGD-AWEZNQCLSA-N 1 0 382.258 2.595 20 5 GFBDRO COC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000519613998 564583178 /nfs/dbraw/zinc/58/31/78/564583178.db2.gz PMAGNCHBKLRWRL-UHFFFAOYSA-N 1 0 376.194 2.858 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000520397362 564603882 /nfs/dbraw/zinc/60/38/82/564603882.db2.gz CELDIRVSYGYYDB-YRGRVCCFSA-N 1 0 385.251 2.995 20 5 GFBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553045571 564707841 /nfs/dbraw/zinc/70/78/41/564707841.db2.gz BMLIVPVVXSNVNU-SNVBAGLBSA-N 1 0 375.256 2.901 20 5 GFBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000492236451 564800905 /nfs/dbraw/zinc/80/09/05/564800905.db2.gz GXWZVXUVYIRFKI-HNNXBMFYSA-N 1 0 399.289 2.712 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000462581988 564850097 /nfs/dbraw/zinc/85/00/97/564850097.db2.gz XAFQFTGVFGWCGK-ZDUSSCGKSA-N 1 0 387.889 2.791 20 5 GFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000498053873 564887161 /nfs/dbraw/zinc/88/71/61/564887161.db2.gz FXRYAVJJFSYJLQ-GFCCVEGCSA-N 1 0 384.274 2.748 20 5 GFBDRO COC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000558460289 564901633 /nfs/dbraw/zinc/90/16/33/564901633.db2.gz ULIJQENHSMYVFX-CYBMUJFWSA-N 1 0 376.194 2.714 20 5 GFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000498871466 564911611 /nfs/dbraw/zinc/91/16/11/564911611.db2.gz CZPWOAUHJDGLJL-NSHDSACASA-N 1 0 375.878 2.599 20 5 GFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000468607325 564987723 /nfs/dbraw/zinc/98/77/23/564987723.db2.gz CDVMLICNZSGMJP-JLHYYAGUSA-N 1 0 381.479 2.628 20 5 GFBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000536831356 565047672 /nfs/dbraw/zinc/04/76/72/565047672.db2.gz HJONEQIJGOUSDT-LBPRGKRZSA-N 1 0 383.857 2.877 20 5 GFBDRO CC[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000584464664 565081911 /nfs/dbraw/zinc/08/19/11/565081911.db2.gz CSVSUGKUIHSHSS-DZGCQCFKSA-N 1 0 397.273 2.526 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000591770617 565238437 /nfs/dbraw/zinc/23/84/37/565238437.db2.gz SYDLQKITTBVCLU-UHFFFAOYSA-N 1 0 378.397 2.509 20 5 GFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000593760803 565359436 /nfs/dbraw/zinc/35/94/36/565359436.db2.gz LGQUUEFFSFVHEZ-BONVTDFDSA-N 1 0 383.246 2.950 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410389 565474408 /nfs/dbraw/zinc/47/44/08/565474408.db2.gz LCHYIIOLTVFFQJ-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599009889 565653569 /nfs/dbraw/zinc/65/35/69/565653569.db2.gz NXZZVQXVLKWJRG-TZMCWYRMSA-N 1 0 388.205 2.857 20 5 GFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601422758 565782786 /nfs/dbraw/zinc/78/27/86/565782786.db2.gz YGLOOQWZIUTDQJ-GZMMTYOYSA-N 1 0 382.269 2.615 20 5 GFBDRO O=[N+]([O-])c1sc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000602718699 565864793 /nfs/dbraw/zinc/86/47/93/565864793.db2.gz QCZVNIUSFJAILM-LLVKDONJSA-N 1 0 390.303 2.762 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269418 598870022 /nfs/dbraw/zinc/87/00/22/598870022.db2.gz WRWOJEHSVQHBCN-LSDHHAIUSA-N 1 0 385.472 2.866 20 5 GFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736290964 598976649 /nfs/dbraw/zinc/97/66/49/598976649.db2.gz SMBZBSYTPBJKQD-OAHLLOKOSA-N 1 0 393.451 2.876 20 5 GFBDRO CC(C)[NH+](CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000735861256 599254110 /nfs/dbraw/zinc/25/41/10/599254110.db2.gz VNPLVGQNFJKIEL-UHFFFAOYSA-N 1 0 384.444 2.854 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267605 599258376 /nfs/dbraw/zinc/25/83/76/599258376.db2.gz OWZODCGAFSYJHE-ZDUSSCGKSA-N 1 0 396.455 3.000 20 5 GFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000823651509 599323409 /nfs/dbraw/zinc/32/34/09/599323409.db2.gz MREYEECVOYPRSU-UHFFFAOYSA-N 1 0 394.439 2.768 20 5 GFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000820921517 606621535 /nfs/dbraw/zinc/62/15/35/606621535.db2.gz ZAKYMTIDAQLQNQ-LRDDRELGSA-N 1 0 395.423 2.843 20 5 GFBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823620656 606703719 /nfs/dbraw/zinc/70/37/19/606703719.db2.gz NSJLIEYBMUFDGE-OAHLLOKOSA-N 1 0 394.439 2.637 20 5 GFBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1-c1nn[nH]n1 ZINC000826194019 608172995 /nfs/dbraw/zinc/17/29/95/608172995.db2.gz XWMUQJJZNYQFAA-UHFFFAOYSA-N 1 0 380.408 2.948 20 5 GFBDRO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000825141424 608552179 /nfs/dbraw/zinc/55/21/79/608552179.db2.gz OHYDZJAXJASWRS-CQSZACIVSA-N 1 0 399.411 2.664 20 5 GFBDRO O=[N+]([O-])c1cnc(Nc2cccc(CC[NH+]3CCCC3)c2)c(-c2nn[nH]n2)c1 ZINC000826500960 608800346 /nfs/dbraw/zinc/80/03/46/608800346.db2.gz SYGRVXIDOQOCHM-UHFFFAOYSA-N 1 0 380.412 2.552 20 5 GFBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)c1 ZINC000819262504 660252538 /nfs/dbraw/zinc/25/25/38/660252538.db2.gz NHFAFULOJRDGPF-MFKMUULPSA-N 1 0 387.223 2.572 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827264638 660486914 /nfs/dbraw/zinc/48/69/14/660486914.db2.gz CXSMYEXHSFYCRW-ABAIWWIYSA-N 1 0 382.258 2.832 20 5 GFBDRO C[NH+](C)C1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000829949695 660624249 /nfs/dbraw/zinc/62/42/49/660624249.db2.gz ZLQZMQOVUAJNMH-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830387428 660651607 /nfs/dbraw/zinc/65/16/07/660651607.db2.gz BEKGXLPUOZJEAJ-UHFFFAOYSA-N 1 0 382.269 2.618 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129077331 654855837 /nfs/dbraw/zinc/85/58/37/654855837.db2.gz MCCPMQUZFCFCMM-TZMCWYRMSA-N 1 0 387.889 2.661 20 5 GFBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000129471284 654863653 /nfs/dbraw/zinc/86/36/53/654863653.db2.gz SDHCWUVKRACXKQ-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101574354 655044657 /nfs/dbraw/zinc/04/46/57/655044657.db2.gz GTGMPBQDZSOUPW-UHFFFAOYSA-N 1 0 375.878 2.743 20 5 GFBDRO NC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000105401692 655092636 /nfs/dbraw/zinc/09/26/36/655092636.db2.gz QWMKBTFFLNYBAF-HNNXBMFYSA-N 1 0 378.226 2.716 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173262991 655165685 /nfs/dbraw/zinc/16/56/85/655165685.db2.gz DKDQKBIQBWZFTF-YPMHNXCESA-N 1 0 375.878 2.599 20 5 GFBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000113354473 655208266 /nfs/dbraw/zinc/20/82/66/655208266.db2.gz QLMHPABWHXKWKC-UHFFFAOYSA-N 1 0 378.226 2.877 20 5 GFBDRO Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596540986 655516456 /nfs/dbraw/zinc/51/64/56/655516456.db2.gz XQFDEZRMYKKTQL-ZDUSSCGKSA-N 1 0 384.274 2.701 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000725822973 655527005 /nfs/dbraw/zinc/52/70/05/655527005.db2.gz PEBJIOMRKSZKIW-VXGBXAGGSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000752247948 655841305 /nfs/dbraw/zinc/84/13/05/655841305.db2.gz RQPBIESBBQYBLO-CYBMUJFWSA-N 1 0 387.889 2.806 20 5 GFBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754636904 655870567 /nfs/dbraw/zinc/87/05/67/655870567.db2.gz SBACSZMXYJEYHX-JTQLQIEISA-N 1 0 388.237 2.958 20 5 GFBDRO CC1CC[NH+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754633165 655870589 /nfs/dbraw/zinc/87/05/89/655870589.db2.gz UJNNBKFMMPJDLA-UHFFFAOYSA-N 1 0 388.237 2.958 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768836811 656254584 /nfs/dbraw/zinc/25/45/84/656254584.db2.gz YVRHKMZBQLHLQN-UONOGXRCSA-N 1 0 387.527 2.931 20 5 GFBDRO Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1Br ZINC000804429557 659645796 /nfs/dbraw/zinc/64/57/96/659645796.db2.gz LWPFRKNPUCGTDM-TZMCWYRMSA-N 1 0 384.274 2.701 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000809809782 659940709 /nfs/dbraw/zinc/94/07/09/659940709.db2.gz ZQYPKTRBVVREPJ-JTQLQIEISA-N 1 0 396.296 2.912 20 5 GFBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826948 659945000 /nfs/dbraw/zinc/94/50/00/659945000.db2.gz WWBABAQRBUXDES-VIFPVBQESA-N 1 0 382.269 2.616 20 5 GFBDRO NC(=O)[C@H]1CCC[N@H+](CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811478082 660009853 /nfs/dbraw/zinc/00/98/53/660009853.db2.gz ABOGFHPNTKYXNQ-NSHDSACASA-N 1 0 389.283 2.579 20 5 GFBDRO CSC1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH+](C)CC1 ZINC000811894322 660017314 /nfs/dbraw/zinc/01/73/14/660017314.db2.gz XRRZVCYVBISAFC-UHFFFAOYSA-N 1 0 386.905 2.875 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000814990024 660100377 /nfs/dbraw/zinc/10/03/77/660100377.db2.gz YEVTWDZADIMCFK-QWRGUYRKSA-N 1 0 393.868 2.929 20 5 GFBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026422 660103603 /nfs/dbraw/zinc/10/36/03/660103603.db2.gz QWIWHLHCBBNYDB-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568531 660125795 /nfs/dbraw/zinc/12/57/95/660125795.db2.gz LKQYHUWBHBRLTH-LLVKDONJSA-N 1 0 383.857 2.955 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842894551 661359333 /nfs/dbraw/zinc/35/93/33/661359333.db2.gz SVTCAMGLAZKFRX-OLZOCXBDSA-N 1 0 387.889 2.567 20 5 GFBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC12CCOCC2 ZINC000843125463 661370345 /nfs/dbraw/zinc/37/03/45/661370345.db2.gz XGEIIVONCNQVQT-CYBMUJFWSA-N 1 0 384.274 2.545 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]21 ZINC000843454082 661381945 /nfs/dbraw/zinc/38/19/45/661381945.db2.gz JMANMKQENNRDEH-XXILOJSOSA-N 1 0 386.221 2.696 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000865060322 662396747 /nfs/dbraw/zinc/39/67/47/662396747.db2.gz ZKXXHLNHXVTKOS-CQSZACIVSA-N 1 0 396.285 2.987 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866010125 662456215 /nfs/dbraw/zinc/45/62/15/662456215.db2.gz VBAPMUQAWNCRSX-AWEZNQCLSA-N 1 0 396.285 2.844 20 5 GFBDRO CN1CC[NH+](C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213949 662464613 /nfs/dbraw/zinc/46/46/13/662464613.db2.gz DOKBOIJBCXVHGK-UHFFFAOYSA-N 1 0 383.290 2.574 20 5 GFBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000867618171 662563212 /nfs/dbraw/zinc/56/32/12/662563212.db2.gz CDLGAARIBQFWJX-UHFFFAOYSA-N 1 0 387.889 2.745 20 5 GFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867661424 662566100 /nfs/dbraw/zinc/56/61/00/662566100.db2.gz IWGOJENDMLSKLJ-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867961344 662589619 /nfs/dbraw/zinc/58/96/19/662589619.db2.gz VUZXNCMYYUJHHD-CYBMUJFWSA-N 1 0 384.274 2.843 20 5 GFBDRO [NH3+]C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872151148 662756844 /nfs/dbraw/zinc/75/68/44/662756844.db2.gz IOWSIIKVFSNNIY-VHSXEESVSA-N 1 0 382.180 2.926 20 5 GFBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877265233 662872833 /nfs/dbraw/zinc/87/28/33/662872833.db2.gz ABLJKEUNYQTTCG-BXKDBHETSA-N 1 0 386.221 2.711 20 5 GFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877355758 662874172 /nfs/dbraw/zinc/87/41/72/662874172.db2.gz BQZMRMGKIAZLLQ-JOYOIKCWSA-N 1 0 377.388 2.916 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877363048 662874632 /nfs/dbraw/zinc/87/46/32/662874632.db2.gz AZMCTOHFAWYJJV-OIBJUYFYSA-N 1 0 396.163 2.567 20 5 GFBDRO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000879664522 662935066 /nfs/dbraw/zinc/93/50/66/662935066.db2.gz ZYIYRAZOAIYGRS-AWEZNQCLSA-N 1 0 383.246 2.840 20 5 GFBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)CC1 ZINC000881773513 663002697 /nfs/dbraw/zinc/00/26/97/663002697.db2.gz BIKUPYYKDNDHSL-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000889726746 663261332 /nfs/dbraw/zinc/26/13/32/663261332.db2.gz UVORQEHNRXDPJO-CQSZACIVSA-N 1 0 397.273 2.735 20 5 GFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894241968 663450339 /nfs/dbraw/zinc/45/03/39/663450339.db2.gz PWOYNYXDRKGZFI-UHFFFAOYSA-N 1 0 382.873 2.874 20 5 GFBDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000896618176 663568032 /nfs/dbraw/zinc/56/80/32/663568032.db2.gz NGELCKXCSVPQOZ-JTQLQIEISA-N 1 0 378.292 2.619 20 5 GFBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000896626292 663568708 /nfs/dbraw/zinc/56/87/08/663568708.db2.gz PHGFVLCSAYIPIC-UHFFFAOYSA-N 1 0 394.230 2.835 20 5 GFBDRO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H](C)CN1CCO ZINC000910931096 664231319 /nfs/dbraw/zinc/23/13/19/664231319.db2.gz NHQSTHNQDOIOQM-RKDXNWHRSA-N 1 0 394.230 2.568 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000929714692 664756408 /nfs/dbraw/zinc/75/64/08/664756408.db2.gz NKBKLURRNPZUNR-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931061820 664784394 /nfs/dbraw/zinc/78/43/94/664784394.db2.gz LPDQKZDHHRFQCP-CYBMUJFWSA-N 1 0 385.262 2.545 20 5 GFBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC000932572628 664829143 /nfs/dbraw/zinc/82/91/43/664829143.db2.gz QAZXPIHOEBNOTO-LDYMZIIASA-N 1 0 377.203 2.949 20 5 GFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935941751 665000510 /nfs/dbraw/zinc/00/05/10/665000510.db2.gz SSCXCLBZCHXCFS-CMPLNLGQSA-N 1 0 397.273 2.638 20 5 GFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935975014 665002073 /nfs/dbraw/zinc/00/20/73/665002073.db2.gz DWJAYRPLLQBDFZ-ZWNOBZJWSA-N 1 0 397.273 2.638 20 5 GFBDRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]21 ZINC001164440191 718987693 /nfs/dbraw/zinc/98/76/93/718987693.db2.gz KKFKDQFSBSVILO-MSRIBSCDSA-N 1 0 381.770 2.643 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806876 720073011 /nfs/dbraw/zinc/07/30/11/720073011.db2.gz DMTUBMCDRVJVHZ-RDTXWAMCSA-N 1 0 380.876 2.828 20 5 GFBDRO CCOc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)ccc1[N+](=O)[O-] ZINC001164811136 720147811 /nfs/dbraw/zinc/14/78/11/720147811.db2.gz LRDDBGFEXCXZIZ-OXQOHEQNSA-N 1 0 390.484 2.573 20 5 GFBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c21 ZINC001164726194 720471476 /nfs/dbraw/zinc/47/14/76/720471476.db2.gz KQBFAENIGMBVGN-IRXDYDNUSA-N 1 0 376.420 2.786 20 5 GFBDRO Cc1cc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164731975 720509638 /nfs/dbraw/zinc/50/96/38/720509638.db2.gz RSAHLZUJCUPCBX-OAHLLOKOSA-N 1 0 380.452 2.846 20 5 GFBDRO Cc1cc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164732938 720558204 /nfs/dbraw/zinc/55/82/04/720558204.db2.gz FXLVPZZCGUUCSH-UHFFFAOYSA-N 1 0 390.875 2.807 20 5 GFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164761878 721242681 /nfs/dbraw/zinc/24/26/81/721242681.db2.gz JRUBCWSMFKXZFJ-MSOLQXFVSA-N 1 0 392.463 2.835 20 5 GFBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1 ZINC001164911445 721526897 /nfs/dbraw/zinc/52/68/97/721526897.db2.gz WSFUSIVHBOKUHH-GOEBONIOSA-N 1 0 376.363 2.610 20 5 GFBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4N)CC3)C2)cc1 ZINC001164939941 721930606 /nfs/dbraw/zinc/93/06/06/721930606.db2.gz OZYBBODVUNUCDV-UHFFFAOYSA-N 1 0 397.479 2.752 20 5 GFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982514 722124036 /nfs/dbraw/zinc/12/40/36/722124036.db2.gz WVKOIBBBNUAFOY-RBUKOAKNSA-N 1 0 397.479 2.729 20 5 GFBDRO Cc1sc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000123390059 551306168 /nfs/dbraw/zinc/30/61/68/551306168.db2.gz MJIFSMFLSNCCTL-UHFFFAOYSA-N 1 0 387.527 2.898 20 5 GFBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000124128443 551310686 /nfs/dbraw/zinc/31/06/86/551310686.db2.gz LMKWGRFUKSZLOH-VIFPVBQESA-N 1 0 384.223 2.569 20 5 GFBDRO C[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC1 ZINC000130437479 551364795 /nfs/dbraw/zinc/36/47/95/551364795.db2.gz LHIXLUSPGVOUMA-UHFFFAOYSA-N 1 0 376.638 2.835 20 5 GFBDRO Cc1csc(Sc2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2[N+](=O)[O-])n1 ZINC000155103274 551491348 /nfs/dbraw/zinc/49/13/48/551491348.db2.gz LCUKKYBVFHNDPJ-SNVBAGLBSA-N 1 0 378.479 2.945 20 5 GFBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000163838693 551622535 /nfs/dbraw/zinc/62/25/35/551622535.db2.gz WJOLBEBOIQPAKE-LLVKDONJSA-N 1 0 382.258 2.880 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255784 552081261 /nfs/dbraw/zinc/08/12/61/552081261.db2.gz NLZCDYLQYYRBJR-DGCLKSJQSA-N 1 0 375.878 2.599 20 5 GFBDRO C[NH+](C)C1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000182988021 552297861 /nfs/dbraw/zinc/29/78/61/552297861.db2.gz KKETUIRBVBJHIZ-UHFFFAOYSA-N 1 0 387.889 2.567 20 5 GFBDRO C[C@@H](CCO)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000295189143 563233931 /nfs/dbraw/zinc/23/39/31/563233931.db2.gz XBGBDFQQTZEVCD-SNVBAGLBSA-N 1 0 378.210 2.698 20 5 GFBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420479739 563265774 /nfs/dbraw/zinc/26/57/74/563265774.db2.gz NNPPCDALKVNLHP-AMIZOPFISA-N 1 0 382.269 2.507 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868725 563274191 /nfs/dbraw/zinc/27/41/91/563274191.db2.gz XSCJNEFSCVERAB-VHSXEESVSA-N 1 0 388.287 2.975 20 5 GFBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297623498 563331540 /nfs/dbraw/zinc/33/15/40/563331540.db2.gz BXPQEUFYNFYNAR-HNNXBMFYSA-N 1 0 383.246 2.917 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423972744 563366316 /nfs/dbraw/zinc/36/63/16/563366316.db2.gz LVXFZAOVOPOSGB-ABAIWWIYSA-N 1 0 382.258 2.962 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000424055431 563368711 /nfs/dbraw/zinc/36/87/11/563368711.db2.gz BHOILQFTXSJTTI-NQBHXWOUSA-N 1 0 384.274 2.732 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000375046280 563388849 /nfs/dbraw/zinc/38/88/49/563388849.db2.gz ISXZDTREEYJJJN-GFCCVEGCSA-N 1 0 382.258 2.976 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000425396457 563420731 /nfs/dbraw/zinc/42/07/31/563420731.db2.gz AYQIWUVGRQTHAE-ZDUSSCGKSA-N 1 0 384.274 2.511 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000393050863 563527769 /nfs/dbraw/zinc/52/77/69/563527769.db2.gz PPKLWVUZLJEALG-GJZGRUSLSA-N 1 0 387.889 2.852 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000332695406 563612330 /nfs/dbraw/zinc/61/23/30/563612330.db2.gz XBXYZDSBBSXPJI-GHMZBOCLSA-N 1 0 383.246 2.739 20 5 GFBDRO O=C(c1csc([N+](=O)[O-])c1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435574542 563653536 /nfs/dbraw/zinc/65/35/36/563653536.db2.gz NZHAOHZWBSLCIE-GFCCVEGCSA-N 1 0 378.479 2.897 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363157932 563715624 /nfs/dbraw/zinc/71/56/24/563715624.db2.gz PTYPBGCGORQWHI-VBNZEHGJSA-N 1 0 394.269 2.914 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363647276 563729505 /nfs/dbraw/zinc/72/95/05/563729505.db2.gz UHGPQPBOSMKXST-PEYYIBSZSA-N 1 0 394.269 2.914 20 5 GFBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000416552086 563847031 /nfs/dbraw/zinc/84/70/31/563847031.db2.gz HPHIEMHJKXEZRG-UHFFFAOYSA-N 1 0 383.495 2.717 20 5 GFBDRO COc1ccc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc1[N+](=O)[O-] ZINC000449651584 564192857 /nfs/dbraw/zinc/19/28/57/564192857.db2.gz WPYZCGCDBKDOBQ-UHFFFAOYSA-N 1 0 381.230 2.861 20 5 GFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566494973 564329723 /nfs/dbraw/zinc/32/97/23/564329723.db2.gz VJTMFZPSIFUCEM-LBPRGKRZSA-N 1 0 375.878 2.647 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148555 564360692 /nfs/dbraw/zinc/36/06/92/564360692.db2.gz ZBJQFHMNLGAYCO-STQMWFEESA-N 1 0 389.905 2.895 20 5 GFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000512779324 564410841 /nfs/dbraw/zinc/41/08/41/564410841.db2.gz PMQUBLLJBHNAQY-RYUDHWBXSA-N 1 0 375.516 2.691 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000520663190 564609477 /nfs/dbraw/zinc/60/94/77/564609477.db2.gz HCXPRYPGNMAJSX-ZDUSSCGKSA-N 1 0 389.237 2.725 20 5 GFBDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000573531697 564642722 /nfs/dbraw/zinc/64/27/22/564642722.db2.gz ONDJRUUNSDQUDN-QWHCGFSZSA-N 1 0 384.483 2.530 20 5 GFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457056347 564644983 /nfs/dbraw/zinc/64/49/83/564644983.db2.gz NMPOYABGJXHOAQ-UHFFFAOYSA-N 1 0 384.274 2.890 20 5 GFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(I)cc1[N+](=O)[O-] ZINC000524638128 564684770 /nfs/dbraw/zinc/68/47/70/564684770.db2.gz HYBNDTFEPWQYPH-LLVKDONJSA-N 1 0 389.237 2.977 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccsc2Br)c1 ZINC000575252991 564695470 /nfs/dbraw/zinc/69/54/70/564695470.db2.gz SCGUMHJHGMZWPM-LBPRGKRZSA-N 1 0 387.255 2.948 20 5 GFBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553149588 564711417 /nfs/dbraw/zinc/71/14/17/564711417.db2.gz GAGXMUAYXKIRCJ-ZDUSSCGKSA-N 1 0 387.267 2.644 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000583841926 564910145 /nfs/dbraw/zinc/91/01/45/564910145.db2.gz SFTSFHWMKHKDHQ-IINYFYTJSA-N 1 0 390.221 2.840 20 5 GFBDRO C[NH+](C)C1(CNc2c(Br)cncc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000500280073 564949952 /nfs/dbraw/zinc/94/99/52/564949952.db2.gz MOLIGQCAQZTLLV-UHFFFAOYSA-N 1 0 391.269 2.685 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000467394559 564961882 /nfs/dbraw/zinc/96/18/82/564961882.db2.gz PPIIEXJWNXEZID-BZPMIXESSA-N 1 0 387.527 2.991 20 5 GFBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000504003087 565032823 /nfs/dbraw/zinc/03/28/23/565032823.db2.gz DFPSLIMRMASPNW-UHFFFAOYSA-N 1 0 377.894 2.988 20 5 GFBDRO Cc1[nH+]ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1Br ZINC000616955410 565217763 /nfs/dbraw/zinc/21/77/63/565217763.db2.gz PKHIWBFXQMUKKH-UHFFFAOYSA-N 1 0 380.198 2.866 20 5 GFBDRO CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592379106 565272837 /nfs/dbraw/zinc/27/28/37/565272837.db2.gz GNYOJJFUIVRLRT-LLVKDONJSA-N 1 0 382.269 2.520 20 5 GFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594969336 565438167 /nfs/dbraw/zinc/43/81/67/565438167.db2.gz OEUYHPZQKZQEMF-AULYBMBSSA-N 1 0 376.194 2.857 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000594990521 565439399 /nfs/dbraw/zinc/43/93/99/565439399.db2.gz ZQBKRGHAMIWQHC-CHWSQXEVSA-N 1 0 388.205 2.593 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595113043 565449112 /nfs/dbraw/zinc/44/91/12/565449112.db2.gz JZYFOEVFFIFLFQ-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000596252739 565516978 /nfs/dbraw/zinc/51/69/78/565516978.db2.gz LLARBLINXOJKIF-UHFFFAOYSA-N 1 0 386.290 2.934 20 5 GFBDRO C[C@H]([C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)N1CCOCC1 ZINC000602564050 565855383 /nfs/dbraw/zinc/85/53/83/565855383.db2.gz KQTXIYFXGHZXCY-VHSXEESVSA-N 1 0 378.292 2.618 20 5 GFBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602688529 565863493 /nfs/dbraw/zinc/86/34/93/565863493.db2.gz BNLCHUHSAXGOOK-UHFFFAOYSA-N 1 0 378.292 2.619 20 5 GFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738369667 598675250 /nfs/dbraw/zinc/67/52/50/598675250.db2.gz LPPXNLNMLGSVCV-MRXNPFEDSA-N 1 0 393.451 2.751 20 5 GFBDRO Cc1ccc([C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000822230364 606705303 /nfs/dbraw/zinc/70/53/03/606705303.db2.gz DOIVZKFWQMLVOC-INIZCTEOSA-N 1 0 394.439 2.727 20 5 GFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC000823647628 607176907 /nfs/dbraw/zinc/17/69/07/607176907.db2.gz NLHMVRUJBYZKNN-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO COc1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826176285 608553730 /nfs/dbraw/zinc/55/37/30/608553730.db2.gz IYWSRYXAZMIUQE-ZDUSSCGKSA-N 1 0 398.423 2.822 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000817863901 660211003 /nfs/dbraw/zinc/21/10/03/660211003.db2.gz XFAZYEZNLPZWJK-WOPDTQHZSA-N 1 0 375.878 2.551 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000832750890 660797970 /nfs/dbraw/zinc/79/79/70/660797970.db2.gz GWFLJGNRWQPHNM-UHFFFAOYSA-N 1 0 375.878 2.709 20 5 GFBDRO Cc1sc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822060 654821794 /nfs/dbraw/zinc/82/17/94/654821794.db2.gz XRTUCWQJGZLKEX-WCQYABFASA-N 1 0 387.527 2.896 20 5 GFBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000127912755 654837296 /nfs/dbraw/zinc/83/72/96/654837296.db2.gz UMTUMGHWTVMIJA-UHFFFAOYSA-N 1 0 389.886 2.686 20 5 GFBDRO C[NH+]1CCC(CNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000097347514 655034568 /nfs/dbraw/zinc/03/45/68/655034568.db2.gz IORXYMAVGASFAQ-UHFFFAOYSA-N 1 0 375.210 2.953 20 5 GFBDRO C[N@@H+]1CCC[C@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097347519 655034586 /nfs/dbraw/zinc/03/45/86/655034586.db2.gz URFBODUAYDRYSI-SNVBAGLBSA-N 1 0 375.210 2.953 20 5 GFBDRO C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272652804 655118113 /nfs/dbraw/zinc/11/81/13/655118113.db2.gz AVKBGBHXNOYZMV-JTQLQIEISA-N 1 0 375.397 2.653 20 5 GFBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000113354477 655208299 /nfs/dbraw/zinc/20/82/99/655208299.db2.gz YDVFEPXKRALWOJ-UHFFFAOYSA-N 1 0 378.226 2.877 20 5 GFBDRO CSc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000275081230 655215734 /nfs/dbraw/zinc/21/57/34/655215734.db2.gz FHJUHGIDHSLXPR-ZBFHGGJFSA-N 1 0 381.523 2.969 20 5 GFBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120226747 655331781 /nfs/dbraw/zinc/33/17/81/655331781.db2.gz XTDNQQPYRIQZGR-CYBMUJFWSA-N 1 0 389.905 2.895 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2Br)c1 ZINC000578521883 655480877 /nfs/dbraw/zinc/48/08/77/655480877.db2.gz QALPVSUPLZTQDO-HNNXBMFYSA-N 1 0 395.253 2.929 20 5 GFBDRO CC[NH+]1CCN([C@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000596123276 655513963 /nfs/dbraw/zinc/51/39/63/655513963.db2.gz MONVWOUBACRVLO-ZDUSSCGKSA-N 1 0 383.290 2.574 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1Br ZINC000734847946 655635356 /nfs/dbraw/zinc/63/53/56/655635356.db2.gz ZEERIJPWYYBJKA-UHFFFAOYSA-N 1 0 377.238 2.977 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000752234887 655841138 /nfs/dbraw/zinc/84/11/38/655841138.db2.gz NJYSDFKKEMHVFV-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754635019 655870571 /nfs/dbraw/zinc/87/05/71/655870571.db2.gz FGTNQVGXVVTPMB-SECBINFHSA-N 1 0 376.226 2.957 20 5 GFBDRO CCCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755009041 655878487 /nfs/dbraw/zinc/87/84/87/655878487.db2.gz SRECPHSYACXXSE-UHFFFAOYSA-N 1 0 376.226 2.958 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000769894098 656297899 /nfs/dbraw/zinc/29/78/99/656297899.db2.gz VLDCXOWQMGSWSB-GFCCVEGCSA-N 1 0 375.878 2.709 20 5 GFBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccs1 ZINC000771501773 656351466 /nfs/dbraw/zinc/35/14/66/656351466.db2.gz MPWYBWPNTPEULF-LBPRGKRZSA-N 1 0 377.451 2.694 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000779893712 656957266 /nfs/dbraw/zinc/95/72/66/656957266.db2.gz WAVSNVXBLKHMKE-CYBMUJFWSA-N 1 0 387.889 2.806 20 5 GFBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779892202 656957597 /nfs/dbraw/zinc/95/75/97/656957597.db2.gz DRAOKFTYYNWJHQ-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790771651 658021129 /nfs/dbraw/zinc/02/11/29/658021129.db2.gz VNEYYWXYGCDCKZ-LLVKDONJSA-N 1 0 399.289 2.765 20 5 GFBDRO C[N@@H+]1CCC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790769934 658021346 /nfs/dbraw/zinc/02/13/46/658021346.db2.gz LZJUELMEOILUJO-NSHDSACASA-N 1 0 397.273 2.519 20 5 GFBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@@H+]1CCC[C@H](C)C1 ZINC000798160510 659076926 /nfs/dbraw/zinc/07/69/26/659076926.db2.gz KWHPOCMQEWPYOJ-WDEREUQCSA-N 1 0 385.262 2.603 20 5 GFBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000798295727 659092612 /nfs/dbraw/zinc/09/26/12/659092612.db2.gz WWTCVEQBIOREEW-UHFFFAOYSA-N 1 0 385.262 2.604 20 5 GFBDRO C[NH+](C)CC1(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000809843340 659948379 /nfs/dbraw/zinc/94/83/79/659948379.db2.gz NFAOTVIBOLMCRN-UHFFFAOYSA-N 1 0 382.269 2.664 20 5 GFBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813440757 660054128 /nfs/dbraw/zinc/05/41/28/660054128.db2.gz PMRZXHWLPFDHER-NSHDSACASA-N 1 0 376.240 2.742 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br ZINC000815290662 660119936 /nfs/dbraw/zinc/11/99/36/660119936.db2.gz MNDPTECGCQSCTQ-HOTGVXAUSA-N 1 0 385.258 2.767 20 5 GFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000842012164 661319704 /nfs/dbraw/zinc/31/97/04/661319704.db2.gz YNERZAGSTNICJG-MNOVXSKESA-N 1 0 397.273 2.552 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000842894553 661359180 /nfs/dbraw/zinc/35/91/80/661359180.db2.gz SVTCAMGLAZKFRX-QWHCGFSZSA-N 1 0 387.889 2.567 20 5 GFBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000843113540 661369140 /nfs/dbraw/zinc/36/91/40/661369140.db2.gz WLORDCPAVCQQNE-JKSUJKDBSA-N 1 0 381.226 2.714 20 5 GFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850348812 661771063 /nfs/dbraw/zinc/77/10/63/661771063.db2.gz VKBDVYFTNJJKKD-DEOSSOPVSA-N 1 0 376.303 2.597 20 5 GFBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000855638688 662002515 /nfs/dbraw/zinc/00/25/15/662002515.db2.gz QKWMPYLUVRAYSW-UHFFFAOYSA-N 1 0 376.638 2.644 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856257027 662027132 /nfs/dbraw/zinc/02/71/32/662027132.db2.gz RPQFORAVALXFDI-GFCCVEGCSA-N 1 0 388.251 2.573 20 5 GFBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729886 662039277 /nfs/dbraw/zinc/03/92/77/662039277.db2.gz YPSRDUKXMBPWOZ-AWEZNQCLSA-N 1 0 397.317 2.964 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000865124178 662400056 /nfs/dbraw/zinc/40/00/56/662400056.db2.gz CYPWPRLVCITZPR-ZDUSSCGKSA-N 1 0 382.258 2.597 20 5 GFBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865168446 662401920 /nfs/dbraw/zinc/40/19/20/662401920.db2.gz WMFYJNFOZSQSOL-UHFFFAOYSA-N 1 0 384.274 2.700 20 5 GFBDRO C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000867307369 662541133 /nfs/dbraw/zinc/54/11/33/662541133.db2.gz ZCIWIZLXTIXFDW-LLVKDONJSA-N 1 0 382.258 2.666 20 5 GFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000879271969 662922240 /nfs/dbraw/zinc/92/22/40/662922240.db2.gz JQKXRZGZAMKEDD-IRXDYDNUSA-N 1 0 395.253 2.888 20 5 GFBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C(C)(C)C ZINC000880612318 662964107 /nfs/dbraw/zinc/96/41/07/662964107.db2.gz IERODRCKAFOQAA-GFCCVEGCSA-N 1 0 385.262 2.555 20 5 GFBDRO C[C@H](CNc1cc(F)cc(Br)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000881908069 663009345 /nfs/dbraw/zinc/00/93/45/663009345.db2.gz MAECPTOKFFMRJH-SNVBAGLBSA-N 1 0 375.242 2.544 20 5 GFBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000882767815 663041014 /nfs/dbraw/zinc/04/10/14/663041014.db2.gz DGOCSRQQGQJQON-UHFFFAOYSA-N 1 0 391.852 2.636 20 5 GFBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000883456802 663055342 /nfs/dbraw/zinc/05/53/42/663055342.db2.gz JPKJFOLSMUBOHG-GXFFZTMASA-N 1 0 385.262 2.639 20 5 GFBDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000889726944 663261342 /nfs/dbraw/zinc/26/13/42/663261342.db2.gz YQXVLFPBSGBACH-FZMZJTMJSA-N 1 0 399.289 2.981 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756608 663263657 /nfs/dbraw/zinc/26/36/57/663263657.db2.gz PEPPCDZXZTWPQM-KBPBESRZSA-N 1 0 388.251 2.573 20 5 GFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000893800976 663425257 /nfs/dbraw/zinc/42/52/57/663425257.db2.gz RXZUHFDGUAHFKQ-ZDUSSCGKSA-N 1 0 384.274 2.889 20 5 GFBDRO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000903787702 663807081 /nfs/dbraw/zinc/80/70/81/663807081.db2.gz YMALNUAOOAGUCL-GFCCVEGCSA-N 1 0 384.274 2.687 20 5 GFBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913282279 664331347 /nfs/dbraw/zinc/33/13/47/664331347.db2.gz FAFFHVCRYURFFR-IYBDPMFKSA-N 1 0 382.258 2.771 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251823 664789306 /nfs/dbraw/zinc/78/93/06/664789306.db2.gz BOWOSHBOUNXWSM-HZMBPMFUSA-N 1 0 383.246 2.834 20 5 GFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933437758 664864003 /nfs/dbraw/zinc/86/40/03/664864003.db2.gz FWIAVKFYRUZYDG-MFKMUULPSA-N 1 0 399.289 2.742 20 5 GFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935941753 665000447 /nfs/dbraw/zinc/00/04/47/665000447.db2.gz SSCXCLBZCHXCFS-PWSUYJOCSA-N 1 0 397.273 2.638 20 5 GFBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164709659 720095233 /nfs/dbraw/zinc/09/52/33/720095233.db2.gz BZHMPOQQLJYKGD-IBGZPJMESA-N 1 0 397.479 2.892 20 5 GFBDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839415 720520111 /nfs/dbraw/zinc/52/01/11/720520111.db2.gz UDAWPBMUSJCJQU-HYVNUMGLSA-N 1 0 388.447 2.703 20 5 GFBDRO O=[N+]([O-])c1cccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc21 ZINC001164730470 720562369 /nfs/dbraw/zinc/56/23/69/720562369.db2.gz VZRUYLXIMVRWNR-UHFFFAOYSA-N 1 0 392.463 2.998 20 5 GFBDRO Cc1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164853947 720922094 /nfs/dbraw/zinc/92/20/94/720922094.db2.gz CKQCQPAOZQLGKF-LBPRGKRZSA-N 1 0 393.879 2.965 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767337 721108906 /nfs/dbraw/zinc/10/89/06/721108906.db2.gz MWWSSXLKWRUPDS-LSDHHAIUSA-N 1 0 390.875 2.643 20 5 GFBDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165027293 721829188 /nfs/dbraw/zinc/82/91/88/721829188.db2.gz RVNAGPXHZGOFPM-CGTJXYLNSA-N 1 0 382.468 2.825 20 5 GFBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935151 721888377 /nfs/dbraw/zinc/88/83/77/721888377.db2.gz WRMPSFQGLZTFDX-MSOLQXFVSA-N 1 0 381.480 2.871 20 5 GFBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])c(C)n4)CC3)C2)cc1 ZINC001164938667 721932743 /nfs/dbraw/zinc/93/27/43/721932743.db2.gz DEXHVNHDTCITEB-UHFFFAOYSA-N 1 0 397.479 2.873 20 5 GFBDRO O=[N+]([O-])c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164960465 722052574 /nfs/dbraw/zinc/05/25/74/722052574.db2.gz OKVHBBKODBUDSF-UHFFFAOYSA-N 1 0 383.452 2.504 20 5 GFBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123367490 551306303 /nfs/dbraw/zinc/30/63/03/551306303.db2.gz XVTSNUQJRQPZNL-UHFFFAOYSA-N 1 0 383.392 2.574 20 5 GFBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173633556 552089956 /nfs/dbraw/zinc/08/99/56/552089956.db2.gz YQMZMPUTRSGWNC-CYBMUJFWSA-N 1 0 387.889 2.745 20 5 GFBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000175394141 552120564 /nfs/dbraw/zinc/12/05/64/552120564.db2.gz ZUYNTEPHKJZXNI-LBPRGKRZSA-N 1 0 375.878 2.661 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCc2cccc(Br)c2C1 ZINC000179216221 552187378 /nfs/dbraw/zinc/18/73/78/552187378.db2.gz QYYKYLWWUWVCQB-UHFFFAOYSA-N 1 0 378.226 2.577 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000183728762 552318004 /nfs/dbraw/zinc/31/80/04/552318004.db2.gz NHKJSXZPTAOPMW-NEPJUHHUSA-N 1 0 375.878 2.660 20 5 GFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245677324 553094954 /nfs/dbraw/zinc/09/49/54/553094954.db2.gz IGXHHLZZXSNEAR-XHDPSFHLSA-N 1 0 382.258 2.914 20 5 GFBDRO C[C@H](CCO)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000295189141 563233827 /nfs/dbraw/zinc/23/38/27/563233827.db2.gz XBGBDFQQTZEVCD-JTQLQIEISA-N 1 0 378.210 2.698 20 5 GFBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000373531575 563341724 /nfs/dbraw/zinc/34/17/24/563341724.db2.gz SDUVHPYUUYYMFO-LLVKDONJSA-N 1 0 381.841 2.890 20 5 GFBDRO O=C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CCC[C@@H]1CN1CCOCC1 ZINC000374038231 563359317 /nfs/dbraw/zinc/35/93/17/563359317.db2.gz NVTCKQYSJDFAGW-LLVKDONJSA-N 1 0 388.251 2.838 20 5 GFBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281082671 563365849 /nfs/dbraw/zinc/36/58/49/563365849.db2.gz BZWGFARYJCAPEH-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO CCC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301248104 563398014 /nfs/dbraw/zinc/39/80/14/563398014.db2.gz OVLKANXAJVPOJY-UHFFFAOYSA-N 1 0 377.413 2.877 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000301402995 563402144 /nfs/dbraw/zinc/40/21/44/563402144.db2.gz RQETYDAXWCNNDS-CYBMUJFWSA-N 1 0 384.274 2.906 20 5 GFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cs1 ZINC000375749789 563416644 /nfs/dbraw/zinc/41/66/44/563416644.db2.gz HSNGEPILDVWUIX-NSHDSACASA-N 1 0 387.508 2.518 20 5 GFBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000375915678 563423567 /nfs/dbraw/zinc/42/35/67/563423567.db2.gz ZNDWOTIBXZXELU-HNNXBMFYSA-N 1 0 398.257 2.939 20 5 GFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000376116299 563429881 /nfs/dbraw/zinc/42/98/81/563429881.db2.gz QCUXICRNSNCEGC-VHSXEESVSA-N 1 0 388.287 2.975 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000320267914 563446175 /nfs/dbraw/zinc/44/61/75/563446175.db2.gz KTYUDYMBOJVFHB-HNNXBMFYSA-N 1 0 381.226 2.887 20 5 GFBDRO C[N@@H+]1CCCC12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000378517045 563509888 /nfs/dbraw/zinc/50/98/88/563509888.db2.gz ZPKNAYHHGXLANM-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO CC[NH+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000331356651 563547176 /nfs/dbraw/zinc/54/71/76/563547176.db2.gz SENCRHBRBNHWRS-RYUDHWBXSA-N 1 0 399.289 2.710 20 5 GFBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[NH+]2CCC1CC2 ZINC000364543362 563756807 /nfs/dbraw/zinc/75/68/07/563756807.db2.gz MMXRYHFTTVPQHR-UHFFFAOYSA-N 1 0 388.649 2.931 20 5 GFBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449453630 564186560 /nfs/dbraw/zinc/18/65/60/564186560.db2.gz XIIVLOVKPQEAAA-SECBINFHSA-N 1 0 378.210 2.839 20 5 GFBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449647882 564193750 /nfs/dbraw/zinc/19/37/50/564193750.db2.gz PYURKCWPSXJWFN-STQMWFEESA-N 1 0 378.210 2.839 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2ccccn2)c1 ZINC000563841035 564208829 /nfs/dbraw/zinc/20/88/29/564208829.db2.gz JISGFBAXOWLATG-UHFFFAOYSA-N 1 0 383.189 2.927 20 5 GFBDRO CC[N@@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000564400083 564231525 /nfs/dbraw/zinc/23/15/25/564231525.db2.gz PDOLKYLWZBXLKE-LLVKDONJSA-N 1 0 389.237 2.725 20 5 GFBDRO Cc1c(Br)c(=O)n(CC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000450905370 564254731 /nfs/dbraw/zinc/25/47/31/564254731.db2.gz NZBRASOABKFGJS-UHFFFAOYSA-N 1 0 380.242 2.959 20 5 GFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000565777062 564295503 /nfs/dbraw/zinc/29/55/03/564295503.db2.gz IXBLMZVSFZAFEX-IINYFYTJSA-N 1 0 388.262 2.683 20 5 GFBDRO Cc1c(Br)cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510476801 564334545 /nfs/dbraw/zinc/33/45/45/564334545.db2.gz RMQGQKKQLUUMLS-XPTSAGLGSA-N 1 0 382.258 2.878 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000544657006 564392260 /nfs/dbraw/zinc/39/22/60/564392260.db2.gz QECOVLHGFNMFFJ-GFCCVEGCSA-N 1 0 389.905 2.907 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000568817198 564436284 /nfs/dbraw/zinc/43/62/84/564436284.db2.gz DHVDFFCFCHZAKA-LBPRGKRZSA-N 1 0 398.204 2.570 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000520134190 564598084 /nfs/dbraw/zinc/59/80/84/564598084.db2.gz JXIDMODHGLSXMG-LBPRGKRZSA-N 1 0 375.878 2.647 20 5 GFBDRO Cc1c(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000572703271 564606040 /nfs/dbraw/zinc/60/60/40/564606040.db2.gz JXXMLUNONZMCII-ZMLRMANQSA-N 1 0 383.246 2.867 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000550707617 564629511 /nfs/dbraw/zinc/62/95/11/564629511.db2.gz UBOWISBKPLVLFK-OAHLLOKOSA-N 1 0 382.258 2.832 20 5 GFBDRO CC[N@@H+]1CC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253357 564629900 /nfs/dbraw/zinc/62/99/00/564629900.db2.gz JPKGKXMFFCTVBJ-NSHDSACASA-N 1 0 389.237 2.631 20 5 GFBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[NH+]1CCSCC1 ZINC000488209282 564706993 /nfs/dbraw/zinc/70/69/93/564706993.db2.gz KGXXSGBJNXHVHO-UHFFFAOYSA-N 1 0 397.298 2.788 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000555414195 564792788 /nfs/dbraw/zinc/79/27/88/564792788.db2.gz DKRASIGQWGHXFP-UHFFFAOYSA-N 1 0 375.878 2.793 20 5 GFBDRO CC[N@H+](CCNc1c(Br)cncc1[N+](=O)[O-])CCC(F)(F)F ZINC000491864153 564796414 /nfs/dbraw/zinc/79/64/14/564796414.db2.gz FLKVENCBHRPGIM-UHFFFAOYSA-N 1 0 385.184 2.860 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592391049 565274032 /nfs/dbraw/zinc/27/40/32/565274032.db2.gz SAGKGQSJAGAOSM-CHWSQXEVSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592390567 565274125 /nfs/dbraw/zinc/27/41/25/565274125.db2.gz KBSZWBGPJOXBBF-OLZOCXBDSA-N 1 0 387.889 2.649 20 5 GFBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1CC[NH3+] ZINC000593916204 565367778 /nfs/dbraw/zinc/36/77/78/565367778.db2.gz NHOMULCXXOARCK-NHYWBVRUSA-N 1 0 384.274 2.876 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595114347 565449090 /nfs/dbraw/zinc/44/90/90/565449090.db2.gz XAPUXXNJRRBDKV-CYBMUJFWSA-N 1 0 387.889 2.649 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599572650 565689226 /nfs/dbraw/zinc/68/92/26/565689226.db2.gz DKNYBTJXUWJGGH-UHFFFAOYSA-N 1 0 376.194 2.668 20 5 GFBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602423737 565847363 /nfs/dbraw/zinc/84/73/63/565847363.db2.gz FEFATNRRKDTVEC-UHFFFAOYSA-N 1 0 393.241 2.662 20 5 GFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000823645515 599591727 /nfs/dbraw/zinc/59/17/27/599591727.db2.gz SKAHTAVZZVMPCW-UHFFFAOYSA-N 1 0 380.408 2.818 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820128612 606445848 /nfs/dbraw/zinc/44/58/48/606445848.db2.gz RLBLJXKOOZLBFA-UHFFFAOYSA-N 1 0 396.455 2.632 20 5 GFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000820225542 607013639 /nfs/dbraw/zinc/01/36/39/607013639.db2.gz KTZXWABDHWQIDP-CHWSQXEVSA-N 1 0 395.423 2.843 20 5 GFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826293520 608463158 /nfs/dbraw/zinc/46/31/58/608463158.db2.gz RUYBDAQYMLUPEX-CYBMUJFWSA-N 1 0 395.423 2.763 20 5 GFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826211957 608509655 /nfs/dbraw/zinc/50/96/55/608509655.db2.gz BNVNBAIGRKBFAA-QGZVFWFLSA-N 1 0 380.408 2.951 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000817863590 660210756 /nfs/dbraw/zinc/21/07/56/660210756.db2.gz GKXHIRYPNPROIH-JLLWLGSASA-N 1 0 375.878 2.551 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Cl ZINC000830002434 660629255 /nfs/dbraw/zinc/62/92/55/660629255.db2.gz KDUPTIGFECWDMO-QWRGUYRKSA-N 1 0 394.280 2.807 20 5 GFBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831593858 660713938 /nfs/dbraw/zinc/71/39/38/660713938.db2.gz NXWHSDXHQZGIMH-SECBINFHSA-N 1 0 384.285 2.909 20 5 GFBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000129501630 654864855 /nfs/dbraw/zinc/86/48/55/654864855.db2.gz HYGPYJMCYUUNQK-UHFFFAOYSA-N 1 0 375.878 2.661 20 5 GFBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000270173324 655036234 /nfs/dbraw/zinc/03/62/34/655036234.db2.gz DEUBKXSIRPSLDB-ZDUSSCGKSA-N 1 0 387.889 2.601 20 5 GFBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170656847 655144584 /nfs/dbraw/zinc/14/45/84/655144584.db2.gz GMNVVJCCYUXAIQ-UHFFFAOYSA-N 1 0 383.857 2.788 20 5 GFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173670586 655175899 /nfs/dbraw/zinc/17/58/99/655175899.db2.gz IYZPDMLSRHGOLL-CYBMUJFWSA-N 1 0 375.878 2.743 20 5 GFBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1Br ZINC000839594745 661094489 /nfs/dbraw/zinc/09/44/89/661094489.db2.gz XSXKRIZSRPWKGT-AWEZNQCLSA-N 1 0 398.301 2.902 20 5 GFBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000276902714 655292393 /nfs/dbraw/zinc/29/23/93/655292393.db2.gz IBKWJPSJZSNQNH-UHFFFAOYSA-N 1 0 389.905 2.931 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000579519320 655500757 /nfs/dbraw/zinc/50/07/57/655500757.db2.gz IMPBSNDMZQAHNC-CQSZACIVSA-N 1 0 381.479 2.599 20 5 GFBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000740893720 655700379 /nfs/dbraw/zinc/70/03/79/655700379.db2.gz BSWAOAOUZUOSSU-WCQYABFASA-N 1 0 375.878 2.742 20 5 GFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755005384 655878369 /nfs/dbraw/zinc/87/83/69/655878369.db2.gz HPEMMODILNLUBI-UHFFFAOYSA-N 1 0 376.226 2.910 20 5 GFBDRO Cc1cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1F ZINC000771756227 656361161 /nfs/dbraw/zinc/36/11/61/656361161.db2.gz OQBYSHBXRGELLP-CQSZACIVSA-N 1 0 375.466 2.687 20 5 GFBDRO CN1CCC2(CC[NH+](Cc3c(Br)cccc3[N+](=O)[O-])CC2)C1=O ZINC000775203702 656614982 /nfs/dbraw/zinc/61/49/82/656614982.db2.gz HBZBAINKKQWLTB-UHFFFAOYSA-N 1 0 382.258 2.802 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3cc(Br)cn3)CC2)cc1 ZINC000797121076 658984206 /nfs/dbraw/zinc/98/42/06/658984206.db2.gz YSSAWYZIQPAKSY-UHFFFAOYSA-N 1 0 394.273 2.812 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000797832923 659058156 /nfs/dbraw/zinc/05/81/56/659058156.db2.gz SDCCSARHPOHQPU-LBPRGKRZSA-N 1 0 375.878 2.708 20 5 GFBDRO CC(C)[NH+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)C ZINC000798224743 659084005 /nfs/dbraw/zinc/08/40/05/659084005.db2.gz MAUCTYIXRXKLCL-UHFFFAOYSA-N 1 0 381.857 2.784 20 5 GFBDRO C[NH+](C)CCCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803546061 659588062 /nfs/dbraw/zinc/58/80/62/659588062.db2.gz XPGLNPBVCPDNLT-UHFFFAOYSA-N 1 0 384.274 2.974 20 5 GFBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809808538 659940190 /nfs/dbraw/zinc/94/01/90/659940190.db2.gz XIKAHINZKMOMIM-UHFFFAOYSA-N 1 0 382.269 2.616 20 5 GFBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811506409 660010921 /nfs/dbraw/zinc/01/09/21/660010921.db2.gz SJLRSMSWBDQRPB-LBPRGKRZSA-N 1 0 396.296 2.805 20 5 GFBDRO C[C@H](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000815032500 660104591 /nfs/dbraw/zinc/10/45/91/660104591.db2.gz HQIVGVLZLZWHLO-LLVKDONJSA-N 1 0 393.868 2.930 20 5 GFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045317 660106713 /nfs/dbraw/zinc/10/67/13/660106713.db2.gz QAVVBBGYOKIASK-QWRGUYRKSA-N 1 0 391.852 2.635 20 5 GFBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815046737 660106973 /nfs/dbraw/zinc/10/69/73/660106973.db2.gz CYDRJAZOONUFJK-SNVBAGLBSA-N 1 0 381.857 2.786 20 5 GFBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000817146056 660183228 /nfs/dbraw/zinc/18/32/28/660183228.db2.gz CMECNJZELNEBNS-UHFFFAOYSA-N 1 0 379.841 2.538 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000817147960 660183690 /nfs/dbraw/zinc/18/36/90/660183690.db2.gz XWSFJUBPACCUPS-UHFFFAOYSA-N 1 0 375.878 2.708 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000843417582 661381011 /nfs/dbraw/zinc/38/10/11/661381011.db2.gz JFVNYDHHLJURLF-LBPRGKRZSA-N 1 0 382.825 2.573 20 5 GFBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843514220 661383976 /nfs/dbraw/zinc/38/39/76/661383976.db2.gz NIQBDZBOZKPEGC-GFCCVEGCSA-N 1 0 386.221 2.901 20 5 GFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C1CC1 ZINC000844479946 661422363 /nfs/dbraw/zinc/42/23/63/661422363.db2.gz VHLBVIHSBLIGOK-QWHCGFSZSA-N 1 0 383.242 2.988 20 5 GFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000856480331 662035639 /nfs/dbraw/zinc/03/56/39/662035639.db2.gz RVNZJMAZTVFIGB-LBPRGKRZSA-N 1 0 397.273 2.604 20 5 GFBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856728959 662039144 /nfs/dbraw/zinc/03/91/44/662039144.db2.gz BMCUUDPPWWVYPT-UHFFFAOYSA-N 1 0 399.289 2.712 20 5 GFBDRO Cc1ccc(N2CCC([NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1Br ZINC000866212035 662464639 /nfs/dbraw/zinc/46/46/39/662464639.db2.gz BWPMFKPZTAVKDU-UHFFFAOYSA-N 1 0 397.317 2.882 20 5 GFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867813722 662579679 /nfs/dbraw/zinc/57/96/79/662579679.db2.gz YMCAGBCHKRJDIC-ZDUSSCGKSA-N 1 0 384.274 2.843 20 5 GFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868280660 662600446 /nfs/dbraw/zinc/60/04/46/662600446.db2.gz GJJBVRBRKYBTDJ-GXTWGEPZSA-N 1 0 396.285 2.985 20 5 GFBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827213 662837616 /nfs/dbraw/zinc/83/76/16/662837616.db2.gz YBJILFMRYLHTNA-KGLIPLIRSA-N 1 0 382.258 2.595 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CCO)c3ccccc3Br)C2)c1 ZINC000877190889 662872144 /nfs/dbraw/zinc/87/21/44/662872144.db2.gz CVFXWTAZQPEDOO-ZEPSKSRBSA-N 1 0 395.257 2.971 20 5 GFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877355757 662874212 /nfs/dbraw/zinc/87/42/12/662874212.db2.gz BQZMRMGKIAZLLQ-CABZTGNLSA-N 1 0 377.388 2.916 20 5 GFBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3COc4cccc(Br)c4C3)C2)c1 ZINC000877758467 662882969 /nfs/dbraw/zinc/88/29/69/662882969.db2.gz BZGYDUAMRZWPMR-CXQJBGSLSA-N 1 0 393.241 2.851 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000881931851 663010106 /nfs/dbraw/zinc/01/01/06/663010106.db2.gz DGTLUSOEDPSHGP-NWDGAFQWSA-N 1 0 375.878 2.660 20 5 GFBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)C1 ZINC000881953488 663010863 /nfs/dbraw/zinc/01/08/63/663010863.db2.gz AAQAEPQGSVBSBO-LBPRGKRZSA-N 1 0 375.878 2.519 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883295718 663052582 /nfs/dbraw/zinc/05/25/82/663052582.db2.gz QQCIGMBBHPYXLL-OAHLLOKOSA-N 1 0 384.274 2.700 20 5 GFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889724940 663261110 /nfs/dbraw/zinc/26/11/10/663261110.db2.gz BJUHNSGZBOEVGQ-CYBMUJFWSA-N 1 0 385.262 2.593 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1Br ZINC000897227845 663596165 /nfs/dbraw/zinc/59/61/65/663596165.db2.gz ICSGUZRQSXYKPP-LLVKDONJSA-N 1 0 390.303 2.762 20 5 GFBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897634654 663614258 /nfs/dbraw/zinc/61/42/58/663614258.db2.gz LXYLGQLYZVXGLH-SECBINFHSA-N 1 0 396.246 2.863 20 5 GFBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913282278 664331275 /nfs/dbraw/zinc/33/12/75/664331275.db2.gz FAFFHVCRYURFFR-HZPDHXFCSA-N 1 0 382.258 2.771 20 5 GFBDRO C[NH+]1CCC(OCC(=O)OCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000923787344 664637777 /nfs/dbraw/zinc/63/77/77/664637777.db2.gz GSFHYABYTASCMR-UHFFFAOYSA-N 1 0 387.230 2.511 20 5 GFBDRO Cc1cc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164684309 719613898 /nfs/dbraw/zinc/61/38/98/719613898.db2.gz OLDHDWYZATVRPT-UHFFFAOYSA-N 1 0 378.864 2.623 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818467 720193394 /nfs/dbraw/zinc/19/33/94/720193394.db2.gz SWAFUSXNRQZWBO-IIBYNOLFSA-N 1 0 397.479 2.723 20 5 GFBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164791947 721497095 /nfs/dbraw/zinc/49/70/95/721497095.db2.gz GEPZCACJDFWPHQ-UHFFFAOYSA-N 1 0 382.468 2.848 20 5 GFBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164905802 721545806 /nfs/dbraw/zinc/54/58/06/721545806.db2.gz IJYHREVXUPKYJE-GOEBONIOSA-N 1 0 397.410 2.952 20 5 GFBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164905803 721546098 /nfs/dbraw/zinc/54/60/98/721546098.db2.gz IJYHREVXUPKYJE-HOCLYGCPSA-N 1 0 397.410 2.952 20 5 GFBDRO CCOc1cccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000359873612 212120959 /nfs/dbraw/zinc/12/09/59/212120959.db2.gz LTXWLFUCQZQKSE-UHFFFAOYSA-N 1 0 376.501 2.847 20 5 GFBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@@H+]1C1CC1 ZINC000127563950 551342090 /nfs/dbraw/zinc/34/20/90/551342090.db2.gz MPFPOYJDHSPWNU-CMPLNLGQSA-N 1 0 382.258 2.641 20 5 GFBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000152363637 551431412 /nfs/dbraw/zinc/43/14/12/551431412.db2.gz PRZAXGRVXNVNRO-GFCCVEGCSA-N 1 0 399.289 2.569 20 5 GFBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000158537070 551553246 /nfs/dbraw/zinc/55/32/46/551553246.db2.gz UDODTDQDWNSGGG-LBPRGKRZSA-N 1 0 387.889 2.886 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000158861731 551557732 /nfs/dbraw/zinc/55/77/32/551557732.db2.gz UGPHZRHUPJLBPW-UHFFFAOYSA-N 1 0 391.225 2.715 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000162101885 551603542 /nfs/dbraw/zinc/60/35/42/551603542.db2.gz CNJUAKFYUYGBIK-SNVBAGLBSA-N 1 0 389.886 2.939 20 5 GFBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000166320557 551631370 /nfs/dbraw/zinc/63/13/70/551631370.db2.gz KNDMANRBMXCTFD-UHFFFAOYSA-N 1 0 389.905 2.991 20 5 GFBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cnn1C ZINC000183327393 552306219 /nfs/dbraw/zinc/30/62/19/552306219.db2.gz ILHVXIRORHHIIM-VIFPVBQESA-N 1 0 396.245 2.689 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188741942 552453838 /nfs/dbraw/zinc/45/38/38/552453838.db2.gz YLOQWBSREYGLJB-UHFFFAOYSA-N 1 0 390.237 2.819 20 5 GFBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)sc2C1 ZINC000261873884 553161698 /nfs/dbraw/zinc/16/16/98/553161698.db2.gz LSQSUOXCPHCKTA-VIFPVBQESA-N 1 0 397.254 2.882 20 5 GFBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369539349 563216243 /nfs/dbraw/zinc/21/62/43/563216243.db2.gz IAPKAXXKRVGUHP-BLLLJJGKSA-N 1 0 381.479 2.628 20 5 GFBDRO CC(C)[NH2+]C1CCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418946890 563230628 /nfs/dbraw/zinc/23/06/28/563230628.db2.gz PCCALAYWBGCGEU-UHFFFAOYSA-N 1 0 390.225 2.561 20 5 GFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000280266250 563329797 /nfs/dbraw/zinc/32/97/97/563329797.db2.gz CNENYHITOXCQKQ-YPMHNXCESA-N 1 0 396.241 2.843 20 5 GFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000423673364 563362868 /nfs/dbraw/zinc/36/28/68/563362868.db2.gz OMVTXPMGCYQZRG-UFBFGSQYSA-N 1 0 384.223 2.649 20 5 GFBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423972746 563366598 /nfs/dbraw/zinc/36/65/98/563366598.db2.gz LVXFZAOVOPOSGB-NHYWBVRUSA-N 1 0 382.258 2.962 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000301402996 563402396 /nfs/dbraw/zinc/40/23/96/563402396.db2.gz RQETYDAXWCNNDS-ZDUSSCGKSA-N 1 0 384.274 2.906 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000425411354 563421615 /nfs/dbraw/zinc/42/16/15/563421615.db2.gz ARTCHVMXTVZGFH-CYBMUJFWSA-N 1 0 384.274 2.511 20 5 GFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376212755 563433800 /nfs/dbraw/zinc/43/38/00/563433800.db2.gz VTCWCCRVPDWGFW-UKRRQHHQSA-N 1 0 397.317 2.820 20 5 GFBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000327464691 563458504 /nfs/dbraw/zinc/45/85/04/563458504.db2.gz XNAIAKITIIEZKY-LLVKDONJSA-N 1 0 381.841 2.890 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000330557334 563510797 /nfs/dbraw/zinc/51/07/97/563510797.db2.gz WPQXDJKUTYMXMW-CHWSQXEVSA-N 1 0 377.388 2.731 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397212435 563531952 /nfs/dbraw/zinc/53/19/52/563531952.db2.gz BUYHQELPXFORIR-FOGDFJRCSA-N 1 0 375.878 2.551 20 5 GFBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000331940294 563568047 /nfs/dbraw/zinc/56/80/47/563568047.db2.gz MVTXYOFZWCBLRP-CVEARBPZSA-N 1 0 383.901 2.829 20 5 GFBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000289554314 563678801 /nfs/dbraw/zinc/67/88/01/563678801.db2.gz PAJUOOIGJASKES-KOLCDFICSA-N 1 0 376.194 2.714 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363517270 563725039 /nfs/dbraw/zinc/72/50/39/563725039.db2.gz ZOZXNLFHONBVRV-QWRGUYRKSA-N 1 0 375.397 2.630 20 5 GFBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291527703 563746598 /nfs/dbraw/zinc/74/65/98/563746598.db2.gz ALBJQEBXLOWFAE-UHFFFAOYSA-N 1 0 390.267 2.820 20 5 GFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416365957 563818374 /nfs/dbraw/zinc/81/83/74/563818374.db2.gz CBNKPWFNLFIDJC-SNVBAGLBSA-N 1 0 383.392 2.622 20 5 GFBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543119 563847717 /nfs/dbraw/zinc/84/77/17/563847717.db2.gz XWPVFFUTEDHDLG-GXTWGEPZSA-N 1 0 382.258 2.848 20 5 GFBDRO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000447244697 563877984 /nfs/dbraw/zinc/87/79/84/563877984.db2.gz KNMYQDYJHSAWHP-MKPLZMMCSA-N 1 0 394.280 2.650 20 5 GFBDRO CC(C)[N@H+](C)CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000539198155 564213172 /nfs/dbraw/zinc/21/31/72/564213172.db2.gz WQZQBJHASDRMCQ-UHFFFAOYSA-N 1 0 375.516 2.616 20 5 GFBDRO Cc1c(Br)cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510476802 564334686 /nfs/dbraw/zinc/33/46/86/564334686.db2.gz RMQGQKKQLUUMLS-YMTOWFKASA-N 1 0 382.258 2.878 20 5 GFBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]CC2)CC1 ZINC000477943151 564391912 /nfs/dbraw/zinc/39/19/12/564391912.db2.gz FYTJEDVIMJHDEP-UHFFFAOYSA-N 1 0 382.258 2.963 20 5 GFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512164055 564393398 /nfs/dbraw/zinc/39/33/98/564393398.db2.gz NJZJNKAWPSOKJW-OAHLLOKOSA-N 1 0 386.235 2.777 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(Br)c2)c1 ZINC000514668109 564453780 /nfs/dbraw/zinc/45/37/80/564453780.db2.gz TUCZWNXLPIABEK-HNNXBMFYSA-N 1 0 381.226 2.887 20 5 GFBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000520443564 564604518 /nfs/dbraw/zinc/60/45/18/564604518.db2.gz CXWRBQYDUDARMS-UHFFFAOYSA-N 1 0 389.905 2.989 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000487103176 564676583 /nfs/dbraw/zinc/67/65/83/564676583.db2.gz MFNFNAXAHYHGOJ-NEPJUHHUSA-N 1 0 375.878 2.708 20 5 GFBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580743604 564772128 /nfs/dbraw/zinc/77/21/28/564772128.db2.gz GAUACKVAJZYUHF-PWSUYJOCSA-N 1 0 390.221 2.962 20 5 GFBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000490860692 564783378 /nfs/dbraw/zinc/78/33/78/564783378.db2.gz SVPDPSPLVRSIQT-QWHCGFSZSA-N 1 0 377.388 2.731 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000558459854 564901417 /nfs/dbraw/zinc/90/14/17/564901417.db2.gz QNPMNDCLZPTZMS-UHFFFAOYSA-N 1 0 376.194 2.546 20 5 GFBDRO Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000467068818 564954653 /nfs/dbraw/zinc/95/46/53/564954653.db2.gz MWPKTNKUMIYTHN-GXTWGEPZSA-N 1 0 385.511 2.602 20 5 GFBDRO Cc1c(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000591304540 565223056 /nfs/dbraw/zinc/22/30/56/565223056.db2.gz IXYMVFHAHVWLJM-GXFFZTMASA-N 1 0 383.246 2.881 20 5 GFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Br)c1 ZINC000591724908 565237478 /nfs/dbraw/zinc/23/74/78/565237478.db2.gz PVDYFBQXPCPANF-AWEZNQCLSA-N 1 0 381.226 2.887 20 5 GFBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000593669825 565355120 /nfs/dbraw/zinc/35/51/20/565355120.db2.gz FYHJQUGKTCXCOU-AOOOYVTPSA-N 1 0 394.225 2.971 20 5 GFBDRO CCC[N@@H+]1CC[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992121 565439885 /nfs/dbraw/zinc/43/98/85/565439885.db2.gz PAGIBVZPNGAUKX-ZDUSSCGKSA-N 1 0 389.237 2.773 20 5 GFBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596266002 565518239 /nfs/dbraw/zinc/51/82/39/565518239.db2.gz QTDYBQWPRWWLIF-UHFFFAOYSA-N 1 0 384.274 2.688 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599009886 565653864 /nfs/dbraw/zinc/65/38/64/565653864.db2.gz NXZZVQXVLKWJRG-GXTWGEPZSA-N 1 0 388.205 2.857 20 5 GFBDRO O=[N+]([O-])c1sc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000602482200 565851569 /nfs/dbraw/zinc/85/15/69/565851569.db2.gz NZGHDYVLZBHUMU-NSHDSACASA-N 1 0 390.303 2.573 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CCO)C2CCOCC2)cc1Br ZINC000602616068 565858019 /nfs/dbraw/zinc/85/80/19/565858019.db2.gz HEJMLYMKKXGDFZ-GFCCVEGCSA-N 1 0 379.276 2.686 20 5 GFBDRO CCCN1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602696079 565863436 /nfs/dbraw/zinc/86/34/36/565863436.db2.gz CIGBQNPWPIJHEF-VIFPVBQESA-N 1 0 376.276 2.767 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000602799757 565867486 /nfs/dbraw/zinc/86/74/86/565867486.db2.gz SSXOJNXJVOSPIX-UHFFFAOYSA-N 1 0 398.261 2.704 20 5 GFBDRO Cn1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c([N+](=O)[O-])n1 ZINC000602792060 565868303 /nfs/dbraw/zinc/86/83/03/565868303.db2.gz SWRWGQGLOXKKFL-UHFFFAOYSA-N 1 0 395.257 2.886 20 5 GFBDRO CC[C@@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610805615 566100443 /nfs/dbraw/zinc/10/04/43/566100443.db2.gz ZDXFCICVWBIJAJ-ZDUSSCGKSA-N 1 0 383.495 2.546 20 5 GFBDRO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000611498934 566134151 /nfs/dbraw/zinc/13/41/51/566134151.db2.gz LXPDECPUXYXPPL-UHFFFAOYSA-N 1 0 383.857 2.952 20 5 GFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000823634818 599450073 /nfs/dbraw/zinc/45/00/73/599450073.db2.gz MQOVJVBRNIPKGO-UHFFFAOYSA-N 1 0 392.423 2.535 20 5 GFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399412 607553406 /nfs/dbraw/zinc/55/34/06/607553406.db2.gz SEJBIGLKGFXUKC-SCLBCKFNSA-N 1 0 382.424 2.891 20 5 GFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000825144110 608552001 /nfs/dbraw/zinc/55/20/01/608552001.db2.gz YNXDXDNEMLBBMX-QGZVFWFLSA-N 1 0 395.423 2.844 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000817863725 660210996 /nfs/dbraw/zinc/21/09/96/660210996.db2.gz MTVLCPHMAUDZHP-DLOVCJGASA-N 1 0 375.878 2.551 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000817863728 660211005 /nfs/dbraw/zinc/21/10/05/660211005.db2.gz MTVLCPHMAUDZHP-WCQGTBRESA-N 1 0 375.878 2.551 20 5 GFBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1C[NH3+] ZINC000818024092 660214240 /nfs/dbraw/zinc/21/42/40/660214240.db2.gz MDPOWRKXORVBMX-OPRDCNLKSA-N 1 0 388.237 2.942 20 5 GFBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824111890 660385641 /nfs/dbraw/zinc/38/56/41/660385641.db2.gz NRBSKJINGKWSDR-BETUJISGSA-N 1 0 382.258 2.643 20 5 GFBDRO Cc1sc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000123955474 654766870 /nfs/dbraw/zinc/76/68/70/654766870.db2.gz VZHQGVVJVFVHEO-UHFFFAOYSA-N 1 0 375.516 2.899 20 5 GFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000130975559 654894724 /nfs/dbraw/zinc/89/47/24/654894724.db2.gz BVAUZBZXPZPKBJ-CYBMUJFWSA-N 1 0 381.226 2.887 20 5 GFBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCSC1 ZINC000267473965 654930247 /nfs/dbraw/zinc/93/02/47/654930247.db2.gz PPUGIRYGGGDACC-AWEZNQCLSA-N 1 0 388.287 2.524 20 5 GFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940693 654953353 /nfs/dbraw/zinc/95/33/53/654953353.db2.gz RXJLIQLSESAMMX-NEPJUHHUSA-N 1 0 386.221 2.853 20 5 GFBDRO O=[N+]([O-])c1cc(Br)cnc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268452552 654972507 /nfs/dbraw/zinc/97/25/07/654972507.db2.gz BEWYWGNTPKDVNS-UHFFFAOYSA-N 1 0 385.262 2.809 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069124890 654974019 /nfs/dbraw/zinc/97/40/19/654974019.db2.gz KOFRYQGVPNZLSQ-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1Br ZINC000839615294 661095966 /nfs/dbraw/zinc/09/59/66/661095966.db2.gz VURJOTDSQMIMHL-HOTGVXAUSA-N 1 0 385.258 2.767 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cs1 ZINC000119446922 655303829 /nfs/dbraw/zinc/30/38/29/655303829.db2.gz HFQJVGLURSLFKV-HNNXBMFYSA-N 1 0 381.479 2.772 20 5 GFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000120122034 655328429 /nfs/dbraw/zinc/32/84/29/655328429.db2.gz SZAAXEKFVQCBKP-CYBMUJFWSA-N 1 0 396.285 2.844 20 5 GFBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289269625 655345068 /nfs/dbraw/zinc/34/50/68/655345068.db2.gz CVMBHCRVDRXACX-UHFFFAOYSA-N 1 0 393.868 2.881 20 5 GFBDRO CC[C@H](CCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289432007 655349029 /nfs/dbraw/zinc/34/90/29/655349029.db2.gz DVRUEICWZHICAJ-SNVBAGLBSA-N 1 0 378.210 2.698 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000579778625 655503965 /nfs/dbraw/zinc/50/39/65/655503965.db2.gz SOUAGIQJZMLTCZ-MGPQQGTHSA-N 1 0 388.205 2.857 20 5 GFBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000725828084 655527298 /nfs/dbraw/zinc/52/72/98/655527298.db2.gz VCIDPYFCKVHBIK-LBPRGKRZSA-N 1 0 375.878 2.647 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3cc[nH+]cc3)c2)ccc1Cl ZINC000727114205 655542249 /nfs/dbraw/zinc/54/22/49/655542249.db2.gz VARILPPFJUNLEH-UHFFFAOYSA-N 1 0 379.785 2.630 20 5 GFBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729481687 655564751 /nfs/dbraw/zinc/56/47/51/655564751.db2.gz HTRHKKKJNNBBLB-LBPRGKRZSA-N 1 0 375.878 2.791 20 5 GFBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000750855111 655818042 /nfs/dbraw/zinc/81/80/42/655818042.db2.gz XDGUQOLELJSOFU-SECBINFHSA-N 1 0 388.649 2.977 20 5 GFBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754637774 655870698 /nfs/dbraw/zinc/87/06/98/655870698.db2.gz XXLZJYGITZEAMJ-NSHDSACASA-N 1 0 386.221 2.711 20 5 GFBDRO CCN(CCC[NH+](C)C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000786820543 657470642 /nfs/dbraw/zinc/47/06/42/657470642.db2.gz ZNTUZSVZXVNESI-UHFFFAOYSA-N 1 0 383.392 2.666 20 5 GFBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791422453 658096226 /nfs/dbraw/zinc/09/62/26/658096226.db2.gz GDPMDNRSPPKIJA-SNVBAGLBSA-N 1 0 396.296 2.912 20 5 GFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795877028 658865726 /nfs/dbraw/zinc/86/57/26/658865726.db2.gz VPAUKZAHGNMOSG-NXEZZACHSA-N 1 0 379.841 2.538 20 5 GFBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809391053 659926040 /nfs/dbraw/zinc/92/60/40/659926040.db2.gz MWOBLMMDALSEHS-SECBINFHSA-N 1 0 384.285 2.910 20 5 GFBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[NH+]1CCCC1 ZINC000809808297 659940287 /nfs/dbraw/zinc/94/02/87/659940287.db2.gz NJPGLRMOZRSZCE-SECBINFHSA-N 1 0 382.269 2.664 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000809807683 659940303 /nfs/dbraw/zinc/94/03/03/659940303.db2.gz QMDJEPJEMDIPMD-UHFFFAOYSA-N 1 0 393.868 2.930 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812328390 660024172 /nfs/dbraw/zinc/02/41/72/660024172.db2.gz CNZKWVKGDSXAPP-NEPJUHHUSA-N 1 0 382.258 2.689 20 5 GFBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814981166 660099957 /nfs/dbraw/zinc/09/99/57/660099957.db2.gz YKSFTZRTYFTYKO-UHFFFAOYSA-N 1 0 379.841 2.540 20 5 GFBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814998601 660100638 /nfs/dbraw/zinc/10/06/38/660100638.db2.gz QHMGGXPWIZSHKG-UHFFFAOYSA-N 1 0 393.868 2.882 20 5 GFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029569 660104257 /nfs/dbraw/zinc/10/42/57/660104257.db2.gz ARHZYNALIJVGPB-SNVBAGLBSA-N 1 0 393.868 2.738 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842481686 661341351 /nfs/dbraw/zinc/34/13/51/661341351.db2.gz LNOBFKIGIQPQTN-TZMCWYRMSA-N 1 0 387.889 2.709 20 5 GFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000843417581 661380920 /nfs/dbraw/zinc/38/09/20/661380920.db2.gz JFVNYDHHLJURLF-GFCCVEGCSA-N 1 0 382.825 2.573 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846229987 661539271 /nfs/dbraw/zinc/53/92/71/661539271.db2.gz CJFWUIBVPTWTJG-GWCFXTLKSA-N 1 0 375.878 2.695 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849411603 661718526 /nfs/dbraw/zinc/71/85/26/661718526.db2.gz OWWXPFNKYRUJND-LBPRGKRZSA-N 1 0 389.905 2.955 20 5 GFBDRO C[C@]1(Br)C[C@@H]1C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780579 662215062 /nfs/dbraw/zinc/21/50/62/662215062.db2.gz LKBFKNIVUGOWEL-LZWOXQAQSA-N 1 0 383.242 2.886 20 5 GFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000861672028 662254489 /nfs/dbraw/zinc/25/44/89/662254489.db2.gz BTDLRBQFYAMYOR-UONOGXRCSA-N 1 0 397.273 2.566 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866193507 662463958 /nfs/dbraw/zinc/46/39/58/662463958.db2.gz MZERYMUWNCIHCL-CYBMUJFWSA-N 1 0 384.274 2.700 20 5 GFBDRO CC1([NH+]2CCCCC2)CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000872794919 662789152 /nfs/dbraw/zinc/78/91/52/662789152.db2.gz RWDANDHDEJSFJM-UHFFFAOYSA-N 1 0 386.294 2.852 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877358567 662874448 /nfs/dbraw/zinc/87/44/48/662874448.db2.gz PQWCHWDVPSOWKE-WCBMZHEXSA-N 1 0 397.806 2.936 20 5 GFBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877366753 662874708 /nfs/dbraw/zinc/87/47/08/662874708.db2.gz BBYRYVVUHFRLTL-CWSCBRNRSA-N 1 0 377.388 2.671 20 5 GFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883741311 663060117 /nfs/dbraw/zinc/06/01/17/663060117.db2.gz GMRZERPJNCUPKT-LBPRGKRZSA-N 1 0 399.289 2.888 20 5 GFBDRO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889722492 663260758 /nfs/dbraw/zinc/26/07/58/663260758.db2.gz NUKSGULCCVQRKV-UHFFFAOYSA-N 1 0 399.289 2.888 20 5 GFBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892188737 663365276 /nfs/dbraw/zinc/36/52/76/663365276.db2.gz SKDOECIIAAYKQE-VHRBIJSZSA-N 1 0 397.273 2.545 20 5 GFBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000892478360 663374957 /nfs/dbraw/zinc/37/49/57/663374957.db2.gz LBLPXZZLADXNDR-CYBMUJFWSA-N 1 0 399.289 2.935 20 5 GFBDRO COC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000895858517 663530671 /nfs/dbraw/zinc/53/06/71/663530671.db2.gz KALIROBWBADZKH-CABZTGNLSA-N 1 0 379.276 2.950 20 5 GFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000896954555 663582957 /nfs/dbraw/zinc/58/29/57/663582957.db2.gz NIMGWZMHELPDEZ-YHWZYXNKSA-N 1 0 378.372 2.811 20 5 GFBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000900595520 663717603 /nfs/dbraw/zinc/71/76/03/663717603.db2.gz HDDIZHHHVRSCQJ-NSHDSACASA-N 1 0 380.246 2.539 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000900641188 663718555 /nfs/dbraw/zinc/71/85/55/663718555.db2.gz NGMNFWFKZJVJTB-NSHDSACASA-N 1 0 380.246 2.539 20 5 GFBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000907855371 664066059 /nfs/dbraw/zinc/06/60/59/664066059.db2.gz KGBLWSYOHPDEIH-UHFFFAOYSA-N 1 0 394.280 2.760 20 5 GFBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000910931094 664231414 /nfs/dbraw/zinc/23/14/14/664231414.db2.gz NHQSTHNQDOIOQM-DTWKUNHWSA-N 1 0 394.230 2.568 20 5 GFBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000923283255 664627477 /nfs/dbraw/zinc/62/74/77/664627477.db2.gz ZFYPUAONTGXCIA-GXTWGEPZSA-N 1 0 382.258 2.595 20 5 GFBDRO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000923449545 664630761 /nfs/dbraw/zinc/63/07/61/664630761.db2.gz AFKDUIHQLAEZSK-ZDUSSCGKSA-N 1 0 384.274 2.687 20 5 GFBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])c(C)c3C)CC2)CC1 ZINC001164617889 719028082 /nfs/dbraw/zinc/02/80/82/719028082.db2.gz QVHOFRXRWYGGQX-UHFFFAOYSA-N 1 0 390.484 2.851 20 5 GFBDRO Nc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1[N+](=O)[O-] ZINC001164696234 719894689 /nfs/dbraw/zinc/89/46/89/719894689.db2.gz DCLGEWUIUAPQCZ-UHFFFAOYSA-N 1 0 389.481 2.505 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808489 720085448 /nfs/dbraw/zinc/08/54/48/720085448.db2.gz HRMDUKUEFNNPDM-KDOFPFPSSA-N 1 0 380.876 2.828 20 5 GFBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811095 720108044 /nfs/dbraw/zinc/10/80/44/720108044.db2.gz LJIFZLVQFDMZSF-IIBYNOLFSA-N 1 0 397.479 2.723 20 5 GFBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164843650 720698528 /nfs/dbraw/zinc/69/85/28/720698528.db2.gz PUEWCQATYUJRGQ-KRWDZBQOSA-N 1 0 397.479 2.832 20 5 GFBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165012695 721749924 /nfs/dbraw/zinc/74/99/24/721749924.db2.gz MAIKIANECSHTMR-UHFFFAOYSA-N 1 0 397.479 2.666 20 5 GFBDRO COc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164953130 722014681 /nfs/dbraw/zinc/01/46/81/722014681.db2.gz RZGPTCHIXVRBCE-UHFFFAOYSA-N 1 0 383.452 2.886 20 5 GFBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068902346 551193420 /nfs/dbraw/zinc/19/34/20/551193420.db2.gz HMJBPRRVJCHYAE-UHFFFAOYSA-N 1 0 375.878 2.791 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000124279124 551312822 /nfs/dbraw/zinc/31/28/22/551312822.db2.gz GGLWSJWPNOERTI-AAEUAGOBSA-N 1 0 375.878 2.517 20 5 GFBDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000152452737 551433152 /nfs/dbraw/zinc/43/31/52/551433152.db2.gz FHODZMDJSFNAKQ-LBPRGKRZSA-N 1 0 383.495 2.902 20 5 GFBDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000157150715 551533897 /nfs/dbraw/zinc/53/38/97/551533897.db2.gz IJDMSVVSYSBXHI-JTQLQIEISA-N 1 0 394.225 2.925 20 5 GFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000158564711 551553708 /nfs/dbraw/zinc/55/37/08/551553708.db2.gz BSVVGYQRWGLFME-GFCCVEGCSA-N 1 0 387.889 2.886 20 5 GFBDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173373361 552084527 /nfs/dbraw/zinc/08/45/27/552084527.db2.gz YRGHFFYKDPYEPX-OAHLLOKOSA-N 1 0 397.273 2.526 20 5 GFBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237212158 553075863 /nfs/dbraw/zinc/07/58/63/553075863.db2.gz IYXVBJAOTDLBJU-ONXXMXGDSA-N 1 0 382.258 2.641 20 5 GFBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000237427216 553077696 /nfs/dbraw/zinc/07/76/96/553077696.db2.gz FLTGIIMEJYVBOW-IUCAKERBSA-N 1 0 382.269 2.650 20 5 GFBDRO C[C@H](c1ccccc1Br)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246952049 553115740 /nfs/dbraw/zinc/11/57/40/553115740.db2.gz ATZDGYRAUDXKCX-DGCLKSJQSA-N 1 0 383.246 2.608 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246930679 553115780 /nfs/dbraw/zinc/11/57/80/553115780.db2.gz HBZAUZNCFMGFML-JSGCOSHPSA-N 1 0 387.889 2.661 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000263710715 553191848 /nfs/dbraw/zinc/19/18/48/553191848.db2.gz POSBQNKSBRMSDW-UHFFFAOYSA-N 1 0 387.889 2.887 20 5 GFBDRO CN1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000295200324 563234609 /nfs/dbraw/zinc/23/46/09/563234609.db2.gz SKQPYNRFKVCPKT-CABZTGNLSA-N 1 0 394.280 2.616 20 5 GFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000278508649 563259634 /nfs/dbraw/zinc/25/96/34/563259634.db2.gz JJLMMZDBKVFLRO-UHFFFAOYSA-N 1 0 382.258 2.962 20 5 GFBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301305364 563400234 /nfs/dbraw/zinc/40/02/34/563400234.db2.gz UGFPWYFCULNPEO-CQSZACIVSA-N 1 0 383.290 2.574 20 5 GFBDRO C[NH+](C)Cc1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F ZINC000301922446 563415553 /nfs/dbraw/zinc/41/55/53/563415553.db2.gz FCNYQAGMPQELSV-UHFFFAOYSA-N 1 0 387.458 2.873 20 5 GFBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425033 563421262 /nfs/dbraw/zinc/42/12/62/563421262.db2.gz SXASKZZZZUXVHW-OCCSQVGLSA-N 1 0 382.258 2.848 20 5 GFBDRO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000302227913 563423422 /nfs/dbraw/zinc/42/34/22/563423422.db2.gz VBSZVPOVNQAWBI-AOOOYVTPSA-N 1 0 375.210 2.728 20 5 GFBDRO CN1CCC2(CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1=O ZINC000425472280 563423962 /nfs/dbraw/zinc/42/39/62/563423962.db2.gz HOXHWZDNYLKERG-UHFFFAOYSA-N 1 0 382.258 2.802 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283851691 563457035 /nfs/dbraw/zinc/45/70/35/563457035.db2.gz GJILFSHUABUZHP-NSHDSACASA-N 1 0 382.258 2.880 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000327984144 563460260 /nfs/dbraw/zinc/46/02/60/563460260.db2.gz ZJUCYNYPUMQNOM-UHFFFAOYSA-N 1 0 387.889 2.711 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000377887871 563490354 /nfs/dbraw/zinc/49/03/54/563490354.db2.gz HLKNTERWWUMBQA-SNVBAGLBSA-N 1 0 394.280 2.760 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000393050862 563527897 /nfs/dbraw/zinc/52/78/97/563527897.db2.gz PPKLWVUZLJEALG-CABCVRRESA-N 1 0 387.889 2.852 20 5 GFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ncc(I)s1 ZINC000286277691 563554213 /nfs/dbraw/zinc/55/42/13/563554213.db2.gz BOHLFJCZHSGLQC-UHFFFAOYSA-N 1 0 389.218 2.988 20 5 GFBDRO C[C@H](c1nccs1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286755952 563573662 /nfs/dbraw/zinc/57/36/62/563573662.db2.gz HEYDMPLWOANHDT-SNVBAGLBSA-N 1 0 376.467 2.939 20 5 GFBDRO COc1cc(CN(C)CCn2cc(Br)cn2)c([N+](=O)[O-])cc1OC ZINC000290251511 563702502 /nfs/dbraw/zinc/70/25/02/563702502.db2.gz VUPUBDQYOFNFRE-UHFFFAOYSA-N 1 0 399.245 2.703 20 5 GFBDRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)N1 ZINC000290995872 563729028 /nfs/dbraw/zinc/72/90/28/563729028.db2.gz AIHICWUZBCUDNI-UHFFFAOYSA-N 1 0 387.223 2.512 20 5 GFBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000449428800 564185783 /nfs/dbraw/zinc/18/57/83/564185783.db2.gz UFJRALOKYBPXEJ-UHFFFAOYSA-N 1 0 378.210 2.650 20 5 GFBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449647879 564192881 /nfs/dbraw/zinc/19/28/81/564192881.db2.gz PYURKCWPSXJWFN-CHWSQXEVSA-N 1 0 378.210 2.839 20 5 GFBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390250 564231466 /nfs/dbraw/zinc/23/14/66/564231466.db2.gz KODPNVRVMUUZGT-RNCFNFMXSA-N 1 0 376.194 2.857 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452091087 564391028 /nfs/dbraw/zinc/39/10/28/564391028.db2.gz AXNDKSRMBIBHNV-GFCCVEGCSA-N 1 0 375.878 2.660 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000580643324 564767726 /nfs/dbraw/zinc/76/77/26/564767726.db2.gz DIOHKAKPHFFEGZ-ZDUSSCGKSA-N 1 0 390.221 2.840 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000583232997 564881142 /nfs/dbraw/zinc/88/11/42/564881142.db2.gz NOVXFQSZFHBFBJ-NSHDSACASA-N 1 0 398.204 2.570 20 5 GFBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000467765448 564971829 /nfs/dbraw/zinc/97/18/29/564971829.db2.gz ATOAYXPICFTXFH-NSHDSACASA-N 1 0 377.894 2.811 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000585698996 565105607 /nfs/dbraw/zinc/10/56/07/565105607.db2.gz ZDADYKDSCIPLHN-LBPRGKRZSA-N 1 0 382.258 2.880 20 5 GFBDRO [NH3+]C1(c2noc(-c3cc(I)cc([N+](=O)[O-])c3)n2)CCC1 ZINC000592354878 565271482 /nfs/dbraw/zinc/27/14/82/565271482.db2.gz QNOBJPVVAWJQDS-UHFFFAOYSA-N 1 0 386.149 2.587 20 5 GFBDRO C[C@@H](O)C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000594063006 565374768 /nfs/dbraw/zinc/37/47/68/565374768.db2.gz HQPPLOKTQUVEFR-SECBINFHSA-N 1 0 376.194 2.545 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595413300 565475067 /nfs/dbraw/zinc/47/50/67/565475067.db2.gz ZOWQLVXXFCRZHK-UHFFFAOYSA-N 1 0 387.889 2.649 20 5 GFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601352128 565776522 /nfs/dbraw/zinc/77/65/22/565776522.db2.gz SAQKXYIIYXLKPB-SKDRFNHKSA-N 1 0 394.280 2.664 20 5 GFBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000602480296 565851590 /nfs/dbraw/zinc/85/15/90/565851590.db2.gz FTMDRFHPKXRXFF-AAEUAGOBSA-N 1 0 382.258 2.962 20 5 GFBDRO CSc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602538311 565853751 /nfs/dbraw/zinc/85/37/51/565853751.db2.gz CBDNRUCBYJCZCO-MNOVXSKESA-N 1 0 377.388 2.916 20 5 GFBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@]1(O)CCOC1 ZINC000602697964 565864073 /nfs/dbraw/zinc/86/40/73/565864073.db2.gz RIGZBZXTGDPGDT-ZDUSSCGKSA-N 1 0 379.276 2.686 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000602804920 565869591 /nfs/dbraw/zinc/86/95/91/565869591.db2.gz INVVIDGKFGGRBJ-AWEZNQCLSA-N 1 0 383.246 2.576 20 5 GFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000602827097 565869614 /nfs/dbraw/zinc/86/96/14/565869614.db2.gz OKWWDOVKNLLQJD-OAHLLOKOSA-N 1 0 380.246 2.998 20 5 GFBDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603957736 565920936 /nfs/dbraw/zinc/92/09/36/565920936.db2.gz JKVZPRSUPVESNN-UHFFFAOYSA-N 1 0 375.466 2.722 20 5 GFBDRO C[NH+](C)C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000609423960 566038808 /nfs/dbraw/zinc/03/88/08/566038808.db2.gz AWYFHLDXUKFKJH-GFCCVEGCSA-N 1 0 395.257 2.672 20 5 GFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736291707 598976473 /nfs/dbraw/zinc/97/64/73/598976473.db2.gz YDFJKEOBTLFCPI-HNNXBMFYSA-N 1 0 393.451 2.876 20 5 GFBDRO COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000821813306 599449944 /nfs/dbraw/zinc/44/99/44/599449944.db2.gz FCLPNXQPYNAZJT-UHFFFAOYSA-N 1 0 382.424 2.896 20 5 GFBDRO C[C@@H](Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000820449865 607044156 /nfs/dbraw/zinc/04/41/56/607044156.db2.gz DEJGQALSSGCBTI-LLVKDONJSA-N 1 0 384.444 2.711 20 5 GFBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820112648 607168795 /nfs/dbraw/zinc/16/87/95/607168795.db2.gz ZLDASWRUUJNFPU-UHFFFAOYSA-N 1 0 382.428 2.622 20 5 GFBDRO [NH3+]CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(F)(F)F ZINC000825207194 660415237 /nfs/dbraw/zinc/41/52/37/660415237.db2.gz GPQYFJJWGMLUMG-MRVPVSSYSA-N 1 0 388.115 2.506 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069124237 654974101 /nfs/dbraw/zinc/97/41/01/654974101.db2.gz YAHMCQIDDYWULD-CQSZACIVSA-N 1 0 387.889 2.887 20 5 GFBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000176687126 655252017 /nfs/dbraw/zinc/25/20/17/655252017.db2.gz WEVSKBLHEIRSRA-UHFFFAOYSA-N 1 0 389.905 2.957 20 5 GFBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000116907549 655256650 /nfs/dbraw/zinc/25/66/50/655256650.db2.gz MGGUZXWSJATWSL-GFCCVEGCSA-N 1 0 383.857 2.877 20 5 GFBDRO COC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000117946614 655270687 /nfs/dbraw/zinc/27/06/87/655270687.db2.gz LPTNOYFTWFITMF-NSHDSACASA-N 1 0 385.214 2.714 20 5 GFBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000178544961 655304638 /nfs/dbraw/zinc/30/46/38/655304638.db2.gz CCRXTQJXBRDDHR-SECBINFHSA-N 1 0 384.223 2.508 20 5 GFBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cs1 ZINC000119624586 655308653 /nfs/dbraw/zinc/30/86/53/655308653.db2.gz MYMGTZRPBOEAFH-UHFFFAOYSA-N 1 0 387.527 2.933 20 5 GFBDRO [NH3+]C1(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCC1 ZINC000576156781 655444628 /nfs/dbraw/zinc/44/46/28/655444628.db2.gz IMQSCSPFXSOXKT-UHFFFAOYSA-N 1 0 384.223 2.699 20 5 GFBDRO CC(C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000768806363 656252032 /nfs/dbraw/zinc/25/20/32/656252032.db2.gz ZPIZYNBQSPJCMN-AWEZNQCLSA-N 1 0 375.516 2.691 20 5 GFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768838950 656254797 /nfs/dbraw/zinc/25/47/97/656254797.db2.gz YUINCIFGRXSUPC-GFCCVEGCSA-N 1 0 375.516 2.835 20 5 GFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768862316 656256983 /nfs/dbraw/zinc/25/69/83/656256983.db2.gz VPBZIALXINLCOZ-UHFFFAOYSA-N 1 0 383.495 2.845 20 5 GFBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000841504257 661277209 /nfs/dbraw/zinc/27/72/09/661277209.db2.gz GSJOOQNRQAMKBN-GFCCVEGCSA-N 1 0 381.841 2.635 20 5 GFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc3ccc(Br)cc3s2)c1 ZINC000775030342 656588274 /nfs/dbraw/zinc/58/82/74/656588274.db2.gz QYNMUIWXTZDPIF-UHFFFAOYSA-N 1 0 382.243 2.953 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000775596589 656653505 /nfs/dbraw/zinc/65/35/05/656653505.db2.gz VZXQVPBLJBCDEY-WCQYABFASA-N 1 0 389.905 2.955 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000775596086 656653517 /nfs/dbraw/zinc/65/35/17/656653517.db2.gz REPNSQBEULHOCN-LLVKDONJSA-N 1 0 375.878 2.567 20 5 GFBDRO CC[C@@H](C(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000778604249 656885638 /nfs/dbraw/zinc/88/56/38/656885638.db2.gz AUDIBERUNHSFLV-ZDUSSCGKSA-N 1 0 391.877 2.516 20 5 GFBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000779880273 656953549 /nfs/dbraw/zinc/95/35/49/656953549.db2.gz ZFEQUEZGQYVXGC-UHFFFAOYSA-N 1 0 375.878 2.567 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000784714910 657323400 /nfs/dbraw/zinc/32/34/00/657323400.db2.gz PJZSMSAPYJRKEQ-LBPRGKRZSA-N 1 0 375.878 2.709 20 5 GFBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791419003 658094104 /nfs/dbraw/zinc/09/41/04/658094104.db2.gz RMYNYARPLNBUHC-VIFPVBQESA-N 1 0 382.269 2.664 20 5 GFBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795943616 658875411 /nfs/dbraw/zinc/87/54/11/658875411.db2.gz DXRSXWVIUGPWAN-UHFFFAOYSA-N 1 0 393.868 2.884 20 5 GFBDRO Cc1ccc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1Br ZINC000804413789 659644192 /nfs/dbraw/zinc/64/41/92/659644192.db2.gz BOIOOKFNLHVCAL-GFCCVEGCSA-N 1 0 399.289 2.665 20 5 GFBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000805113654 659742163 /nfs/dbraw/zinc/74/21/63/659742163.db2.gz MNGHVLPMVOZLBM-STQMWFEESA-N 1 0 387.889 2.804 20 5 GFBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809823267 659943929 /nfs/dbraw/zinc/94/39/29/659943929.db2.gz KIJDIMYEQDPQFI-UWVGGRQHSA-N 1 0 379.841 2.538 20 5 GFBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809861058 659950637 /nfs/dbraw/zinc/95/06/37/659950637.db2.gz LWYITAIZINPKAI-VIFPVBQESA-N 1 0 384.285 2.909 20 5 GFBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOc2cccnc2)c1 ZINC000810144602 659964290 /nfs/dbraw/zinc/96/42/90/659964290.db2.gz CJMAGKZMQCZAMN-UHFFFAOYSA-N 1 0 399.188 2.763 20 5 GFBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000814986187 660100097 /nfs/dbraw/zinc/10/00/97/660100097.db2.gz JPCNHQLAJWHOSY-UHFFFAOYSA-N 1 0 379.841 2.542 20 5 GFBDRO CC(C)(CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000815039088 660105797 /nfs/dbraw/zinc/10/57/97/660105797.db2.gz SMVLRCDZXUQQAN-UHFFFAOYSA-N 1 0 393.868 2.788 20 5 GFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815045756 660106695 /nfs/dbraw/zinc/10/66/95/660106695.db2.gz WGSIKDDIKRZBGL-ZWNOBZJWSA-N 1 0 391.852 2.635 20 5 GFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843113578 661369148 /nfs/dbraw/zinc/36/91/48/661369148.db2.gz XTVVZQBMWSXGEP-HOTGVXAUSA-N 1 0 381.226 2.714 20 5 GFBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000843151748 661370793 /nfs/dbraw/zinc/37/07/93/661370793.db2.gz AZUNMBDRQZNVOH-JTQLQIEISA-N 1 0 388.165 2.905 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000849411938 661718635 /nfs/dbraw/zinc/71/86/35/661718635.db2.gz ZGGPDFYPNWXURN-JTQLQIEISA-N 1 0 393.868 2.786 20 5 GFBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849420088 661720819 /nfs/dbraw/zinc/72/08/19/661720819.db2.gz QQAIFWNUNOPJJZ-NSHDSACASA-N 1 0 375.878 2.708 20 5 GFBDRO Cc1ccc(N2CCC(CO)([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1Br ZINC000853677085 661896895 /nfs/dbraw/zinc/89/68/95/661896895.db2.gz LJWCNBSQYZTRCA-UHFFFAOYSA-N 1 0 398.301 2.997 20 5 GFBDRO O=[N+]([O-])c1cc(CN2CCC([NH+]3CCOCC3)CC2)ccc1Br ZINC000859354025 662155808 /nfs/dbraw/zinc/15/58/08/662155808.db2.gz QRVGBDBYIJWFHD-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000865664401 662434802 /nfs/dbraw/zinc/43/48/02/662434802.db2.gz IDGILOHAHMTPAP-UHFFFAOYSA-N 1 0 390.267 2.565 20 5 GFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868849526 662621878 /nfs/dbraw/zinc/62/18/78/662621878.db2.gz KLUXXVRWUKTBPM-GFCCVEGCSA-N 1 0 384.274 2.748 20 5 GFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869233940 662636910 /nfs/dbraw/zinc/63/69/10/662636910.db2.gz QOPUGUGUKHAWPE-LBPRGKRZSA-N 1 0 384.274 2.889 20 5 GFBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874827152 662837574 /nfs/dbraw/zinc/83/75/74/662837574.db2.gz CAGRGZFEVJHSJZ-HUUCEWRRSA-N 1 0 382.258 2.974 20 5 GFBDRO [NH3+]C[C@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877355785 662874203 /nfs/dbraw/zinc/87/42/03/662874203.db2.gz CDHXJAPYBXUORV-DTWKUNHWSA-N 1 0 383.729 2.525 20 5 GFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(Br)cn3)CC2)cn1 ZINC000877734287 662882677 /nfs/dbraw/zinc/88/26/77/662882677.db2.gz OPIBFCNRYSFMSY-UHFFFAOYSA-N 1 0 392.257 2.906 20 5 GFBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879519202 662928310 /nfs/dbraw/zinc/92/83/10/662928310.db2.gz OYJQYEHEZJGISS-IINYFYTJSA-N 1 0 383.246 2.915 20 5 GFBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)C1 ZINC000881953487 663010787 /nfs/dbraw/zinc/01/07/87/663010787.db2.gz AAQAEPQGSVBSBO-GFCCVEGCSA-N 1 0 375.878 2.519 20 5 GFBDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889721617 663260536 /nfs/dbraw/zinc/26/05/36/663260536.db2.gz MRMDRVVCFCZDKM-UHFFFAOYSA-N 1 0 399.289 2.985 20 5 GFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725901 663261152 /nfs/dbraw/zinc/26/11/52/663261152.db2.gz RGLVTIYCOOPLJN-BXUZGUMPSA-N 1 0 399.289 2.839 20 5 GFBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756610 663263845 /nfs/dbraw/zinc/26/38/45/663263845.db2.gz PEPPCDZXZTWPQM-UONOGXRCSA-N 1 0 388.251 2.573 20 5 GFBDRO O=[N+]([O-])c1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Br ZINC000896954965 663583000 /nfs/dbraw/zinc/58/30/00/663583000.db2.gz XATRGOMOYFEBIC-RSMPGPOFSA-N 1 0 395.300 2.617 20 5 GFBDRO COc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1[N+](=O)[O-] ZINC000898726117 663661552 /nfs/dbraw/zinc/66/15/52/663661552.db2.gz YKWGKGRSHYTYJS-LLVKDONJSA-N 1 0 381.230 2.667 20 5 GFBDRO C[NH+]1CCC(OCC(=O)OCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000909501814 664161479 /nfs/dbraw/zinc/16/14/79/664161479.db2.gz KAFXQZYQRNSAQJ-UHFFFAOYSA-N 1 0 387.230 2.511 20 5 GFBDRO C[NH+](C)C1(C)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000913397140 664334955 /nfs/dbraw/zinc/33/49/55/664334955.db2.gz WEYYALXUWWHRJK-UHFFFAOYSA-N 1 0 384.274 2.843 20 5 GFBDRO CC1([NH+]2CCC2)CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000922172460 664588913 /nfs/dbraw/zinc/58/89/13/664588913.db2.gz YQQZWJQLUVDHNH-UHFFFAOYSA-N 1 0 396.285 2.987 20 5 GFBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC([NH+]2CCOCC2)CC1 ZINC000931035321 664783746 /nfs/dbraw/zinc/78/37/46/664783746.db2.gz JSAAMGRDZSLCLC-UHFFFAOYSA-N 1 0 384.274 2.654 20 5 GFBDRO C[C@](CO)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000934497546 664909209 /nfs/dbraw/zinc/90/92/09/664909209.db2.gz VTRDJFIABNNTHK-DLBZAZTESA-N 1 0 395.253 2.888 20 5 GFBDRO