smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C[C@](C)(CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460693205 1126191727 /nfs/dbraw/zinc/19/17/27/1126191727.db2.gz DIVNNYQAZSFROY-OAQYLSRUSA-N 1 0 397.431 3.342 10 5 GGBERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC001620625270 1126242402 /nfs/dbraw/zinc/24/24/02/1126242402.db2.gz PMTOSKIFPCIIQN-LJQANCHMSA-N 1 0 394.855 3.349 10 5 GGBERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001648466590 1126250441 /nfs/dbraw/zinc/25/04/41/1126250441.db2.gz LEJYFADMDLVTNZ-QGZVFWFLSA-N 1 0 379.254 3.441 10 5 GGBERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001655735739 1126255876 /nfs/dbraw/zinc/25/58/76/1126255876.db2.gz HLYVQKDIGDEQKC-FQEVSTJZSA-N 1 0 385.395 3.472 10 5 GGBERO CC(=O)c1ccc(NC2CC[NH+](CC3(O)CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000095443246 205458446 /nfs/dbraw/zinc/45/84/46/205458446.db2.gz IMKADSZMALOYSH-UHFFFAOYSA-N 1 0 375.469 3.369 10 5 GGBERO COc1cc2c(c3c[n+](C)c4c5cc6c(cc5c(OC)cc4c13)OCO6)OCO2 ZINC000001530359 560181398 /nfs/dbraw/zinc/18/13/98/560181398.db2.gz SBVRPBAVNZNLKX-UHFFFAOYSA-N 1 0 392.387 3.445 10 5 in-vitro GGBERO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000119889058 564292494 /nfs/dbraw/zinc/29/24/94/564292494.db2.gz XKSCOGMLYVBSOE-UHFFFAOYSA-N 1 0 384.274 3.352 10 5 GGBERO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120391478 564317903 /nfs/dbraw/zinc/31/79/03/564317903.db2.gz OBBWMUKDFOPYKL-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000120947164 564343981 /nfs/dbraw/zinc/34/39/81/564343981.db2.gz YZQNQEQPJHBCJK-UHFFFAOYSA-N 1 0 382.258 3.058 10 5 GGBERO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000026712490 564349003 /nfs/dbraw/zinc/34/90/03/564349003.db2.gz MBFUBPDWCZWABH-TZMCWYRMSA-N 1 0 395.253 3.448 10 5 GGBERO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000028920320 564365648 /nfs/dbraw/zinc/36/56/48/564365648.db2.gz WZJHLWJNNWZLBQ-MLGOLLRUSA-N 1 0 395.253 3.448 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122487412 564416466 /nfs/dbraw/zinc/41/64/66/564416466.db2.gz VLYFDQKKJIRRIH-BXUZGUMPSA-N 1 0 384.274 3.160 10 5 GGBERO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000125111612 564503615 /nfs/dbraw/zinc/50/36/15/564503615.db2.gz WYGPYDAAAOZVOA-MFKMUULPSA-N 1 0 384.274 3.220 10 5 GGBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126037430 564535008 /nfs/dbraw/zinc/53/50/08/564535008.db2.gz CMOJLOPJFRLPAC-ZIAGYGMSSA-N 1 0 396.285 3.365 10 5 GGBERO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000128087194 564606269 /nfs/dbraw/zinc/60/62/69/564606269.db2.gz VULGQODXZTYEIL-UHFFFAOYSA-N 1 0 398.301 3.281 10 5 GGBERO C[NH+](C)CC1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000129927068 564664793 /nfs/dbraw/zinc/66/47/93/564664793.db2.gz DPBONLJHMUWGPS-UHFFFAOYSA-N 1 0 384.274 3.208 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000130719885 564690990 /nfs/dbraw/zinc/69/09/90/564690990.db2.gz RUEDNIHNENQTMO-IAQYHMDHSA-N 1 0 384.274 3.160 10 5 GGBERO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000068913632 564829120 /nfs/dbraw/zinc/82/91/20/564829120.db2.gz ZWMNOIHTPYKUQQ-GFCCVEGCSA-N 1 0 383.495 3.064 10 5 GGBERO COc1ccc([C@H](CNc2ncc(Br)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000096566791 564902250 /nfs/dbraw/zinc/90/22/50/564902250.db2.gz JCNDTRQBKLLGBN-HNNXBMFYSA-N 1 0 395.257 3.476 10 5 GGBERO CC[N@@H+]1CCC[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482907 564902259 /nfs/dbraw/zinc/90/22/59/564902259.db2.gz LCZUIRPMAUETLK-LLVKDONJSA-N 1 0 375.210 3.096 10 5 GGBERO NC(=[NH2+])c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 ZINC000096910533 564903413 /nfs/dbraw/zinc/90/34/13/564903413.db2.gz LGHOAFALOUHBGJ-UHFFFAOYSA-N 1 0 397.172 3.062 10 5 GGBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151623409 564930365 /nfs/dbraw/zinc/93/03/65/564930365.db2.gz BRGDPLHTDGDKRH-VIFPVBQESA-N 1 0 390.665 3.082 10 5 GGBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000153702906 565007103 /nfs/dbraw/zinc/00/71/03/565007103.db2.gz OIAYPCPYCOGEQW-HNNXBMFYSA-N 1 0 396.285 3.448 10 5 GGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183887322 565101076 /nfs/dbraw/zinc/10/10/76/565101076.db2.gz JJVSCHDHKSFRIA-AWEZNQCLSA-N 1 0 381.226 3.059 10 5 GGBERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000295192250 565250249 /nfs/dbraw/zinc/25/02/49/565250249.db2.gz JPKWPNPHYLJXRB-UWVGGRQHSA-N 1 0 396.296 3.005 10 5 GGBERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000295192248 565250431 /nfs/dbraw/zinc/25/04/31/565250431.db2.gz JPKWPNPHYLJXRB-NXEZZACHSA-N 1 0 396.296 3.005 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000375566036 565395473 /nfs/dbraw/zinc/39/54/73/565395473.db2.gz QJNMFBXSCQZCRG-GFCCVEGCSA-N 1 0 397.273 3.307 10 5 GGBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000298267959 565407088 /nfs/dbraw/zinc/40/70/88/565407088.db2.gz HCQVIJZWVDXQFI-UHFFFAOYSA-N 1 0 382.258 3.104 10 5 GGBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000376594709 565444631 /nfs/dbraw/zinc/44/46/31/565444631.db2.gz GUXOKNJKJIZAJX-UHFFFAOYSA-N 1 0 382.258 3.104 10 5 GGBERO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000376970939 565462016 /nfs/dbraw/zinc/46/20/16/565462016.db2.gz DECWCTJGUVSLFC-UHFFFAOYSA-N 1 0 377.388 3.191 10 5 GGBERO O=[N+]([O-])c1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(Cl)c1 ZINC000301282976 565477094 /nfs/dbraw/zinc/47/70/94/565477094.db2.gz PHEHAVPOJNQQKZ-VIFPVBQESA-N 1 0 380.861 3.188 10 5 GGBERO CCC[N@@H+]1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000301393508 565482992 /nfs/dbraw/zinc/48/29/92/565482992.db2.gz JIHAHNZGBQNARV-UHFFFAOYSA-N 1 0 389.237 3.122 10 5 GGBERO C[C@@H](O)C[NH+]1CCC(CN(C)c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302044541 565526488 /nfs/dbraw/zinc/52/64/88/565526488.db2.gz SYWUKBAWUPYYRN-LLVKDONJSA-N 1 0 376.284 3.431 10 5 GGBERO C[C@H](O)C[NH+]1CCC(CN(C)c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302044542 565526889 /nfs/dbraw/zinc/52/68/89/565526889.db2.gz SYWUKBAWUPYYRN-NSHDSACASA-N 1 0 376.284 3.431 10 5 GGBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190554453 565541463 /nfs/dbraw/zinc/54/14/63/565541463.db2.gz QVGHHULFWFLDNT-GFCCVEGCSA-N 1 0 380.495 3.015 10 5 GGBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190550824 565541753 /nfs/dbraw/zinc/54/17/53/565541753.db2.gz RBZHNPWIDBWVMP-LBPRGKRZSA-N 1 0 380.495 3.015 10 5 GGBERO C[N@@H+]1CC[C@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000408145840 565596722 /nfs/dbraw/zinc/59/67/22/565596722.db2.gz LBCALODKAYKEDE-MEDUHNTESA-N 1 0 391.269 3.436 10 5 GGBERO CC[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192356810 565682144 /nfs/dbraw/zinc/68/21/44/565682144.db2.gz GKELLNHCCSXOLG-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000192347217 565682612 /nfs/dbraw/zinc/68/26/12/565682612.db2.gz LQCJXCQDOUKMHB-DGCLKSJQSA-N 1 0 384.274 3.160 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@H](C)C1 ZINC000330477744 565708711 /nfs/dbraw/zinc/70/87/11/565708711.db2.gz WRSHROYMVCHSJU-BDJLRTHQSA-N 1 0 398.301 3.468 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000284401702 565852955 /nfs/dbraw/zinc/85/29/55/565852955.db2.gz QQOVCCPNEDFGAP-ZYHUDNBSSA-N 1 0 384.274 3.220 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245512645 565993154 /nfs/dbraw/zinc/99/31/54/565993154.db2.gz NWADBXUCILMBJP-NHYWBVRUSA-N 1 0 398.301 3.468 10 5 GGBERO Cc1c(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415647580 566010615 /nfs/dbraw/zinc/01/06/15/566010615.db2.gz AVLXLQFRSSLKJC-GFCCVEGCSA-N 1 0 385.262 3.319 10 5 GGBERO Cc1c(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415651934 566011223 /nfs/dbraw/zinc/01/12/23/566011223.db2.gz GYNDMQJRLXJXHW-ZWNOBZJWSA-N 1 0 385.262 3.399 10 5 GGBERO Cc1c(NC(=O)NCC2(C)CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415668453 566012066 /nfs/dbraw/zinc/01/20/66/566012066.db2.gz ZVALQLWWLCNRAU-UHFFFAOYSA-N 1 0 385.262 3.177 10 5 GGBERO Cc1c(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415665811 566012305 /nfs/dbraw/zinc/01/23/05/566012305.db2.gz VUAZQMFRANEKOO-RFAUZJTJSA-N 1 0 385.262 3.114 10 5 GGBERO Cc1c(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000415666340 566012325 /nfs/dbraw/zinc/01/23/25/566012325.db2.gz WPOJTFFJKULEJF-ZDUSSCGKSA-N 1 0 385.262 3.305 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415706245 566014333 /nfs/dbraw/zinc/01/43/33/566014333.db2.gz UOIYIAMSJCIWKS-VXGBXAGGSA-N 1 0 397.273 3.211 10 5 GGBERO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415710523 566014558 /nfs/dbraw/zinc/01/45/58/566014558.db2.gz ZJTPVCXDMFURPX-QYJAPNMZSA-N 1 0 383.246 3.104 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000246173089 566020238 /nfs/dbraw/zinc/02/02/38/566020238.db2.gz LPNZXFULJUIRBG-BLLLJJGKSA-N 1 0 398.301 3.089 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247078653 566051266 /nfs/dbraw/zinc/05/12/66/566051266.db2.gz QGXATPDPVXRDRT-SMDDNHRTSA-N 1 0 384.274 3.160 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247078643 566051662 /nfs/dbraw/zinc/05/16/62/566051662.db2.gz QGXATPDPVXRDRT-FZMZJTMJSA-N 1 0 384.274 3.160 10 5 GGBERO C[C@@H]([NH3+])C1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000261728232 566130843 /nfs/dbraw/zinc/13/08/43/566130843.db2.gz MNZCWBZOMYHBPJ-SNVBAGLBSA-N 1 0 379.258 3.469 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261867909 566137627 /nfs/dbraw/zinc/13/76/27/566137627.db2.gz LAGOBVAPYULWFK-GWCFXTLKSA-N 1 0 377.242 3.094 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261919539 566139877 /nfs/dbraw/zinc/13/98/77/566139877.db2.gz RJCIVAVDMZDLQV-MRXNPFEDSA-N 1 0 377.242 3.095 10 5 GGBERO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000181534449 566148491 /nfs/dbraw/zinc/14/84/91/566148491.db2.gz IINQNQAHEHRKFT-CQSZACIVSA-N 1 0 393.241 3.432 10 5 GGBERO C[NH+]1CCC(Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)CC1 ZINC000289981202 566151992 /nfs/dbraw/zinc/15/19/92/566151992.db2.gz DHNHFPCTSDHAEX-UHFFFAOYSA-N 1 0 395.257 3.215 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766865 566168064 /nfs/dbraw/zinc/16/80/64/566168064.db2.gz MQIFRXWUIKMAGJ-OLZOCXBDSA-N 1 0 397.273 3.414 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000366775080 566168552 /nfs/dbraw/zinc/16/85/52/566168552.db2.gz RCSGEFSKZUPOLA-ZDUSSCGKSA-N 1 0 397.273 3.368 10 5 GGBERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000182176396 566188127 /nfs/dbraw/zinc/18/81/27/566188127.db2.gz ZFXCSVSNFUHWIX-OLZOCXBDSA-N 1 0 395.253 3.448 10 5 GGBERO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000182379417 566201703 /nfs/dbraw/zinc/20/17/03/566201703.db2.gz ZWYSBICWDAGBDQ-UHFFFAOYSA-N 1 0 389.543 3.179 10 5 GGBERO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)s1 ZINC000182958134 566232023 /nfs/dbraw/zinc/23/20/23/566232023.db2.gz ATNBUHGHAYUBRV-QMMMGPOBSA-N 1 0 383.813 3.328 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000575204446 566260132 /nfs/dbraw/zinc/26/01/32/566260132.db2.gz NXQPEZZAOCSPFF-UHFFFAOYSA-N 1 0 396.285 3.412 10 5 GGBERO O=[N+]([O-])c1ccccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573644 566275588 /nfs/dbraw/zinc/27/55/88/566275588.db2.gz SWJJXTUSXLIFDW-GOSISDBHSA-N 1 0 391.265 3.367 10 5 GGBERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462313933 566281379 /nfs/dbraw/zinc/28/13/79/566281379.db2.gz MGKNDKWIRHYZNA-ONGXEEELSA-N 1 0 396.296 3.005 10 5 GGBERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462313932 566281522 /nfs/dbraw/zinc/28/15/22/566281522.db2.gz MGKNDKWIRHYZNA-MWLCHTKSSA-N 1 0 396.296 3.005 10 5 GGBERO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653883 566284025 /nfs/dbraw/zinc/28/40/25/566284025.db2.gz WNTSHHJJEYHNSR-JSGCOSHPSA-N 1 0 379.258 3.432 10 5 GGBERO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653882 566284906 /nfs/dbraw/zinc/28/49/06/566284906.db2.gz WNTSHHJJEYHNSR-GXTWGEPZSA-N 1 0 379.258 3.432 10 5 GGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000600229549 566326498 /nfs/dbraw/zinc/32/64/98/566326498.db2.gz VPDLHUOJEBHQDA-CQSZACIVSA-N 1 0 396.285 3.494 10 5 GGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600473130 566340011 /nfs/dbraw/zinc/34/00/11/566340011.db2.gz RHNZONHOAQZUPN-CQSZACIVSA-N 1 0 382.258 3.104 10 5 GGBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600473196 566340274 /nfs/dbraw/zinc/34/02/74/566340274.db2.gz ULPHWWLNBORKHC-OAHLLOKOSA-N 1 0 396.285 3.033 10 5 GGBERO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000462709885 566345674 /nfs/dbraw/zinc/34/56/74/566345674.db2.gz DOKRRKDZZPNXEC-ZDUSSCGKSA-N 1 0 389.905 3.052 10 5 GGBERO Cc1c(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000421114898 566346819 /nfs/dbraw/zinc/34/68/19/566346819.db2.gz GTBCOGYYKKLHND-LBPRGKRZSA-N 1 0 385.262 3.224 10 5 GGBERO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000600776829 566365641 /nfs/dbraw/zinc/36/56/41/566365641.db2.gz XWQHHOYLUGXDBI-ZUZCIYMTSA-N 1 0 380.242 3.457 10 5 GGBERO Cc1c(Br)c(Nc2cnn(C3CC[NH+](C)CC3)c2)ncc1[N+](=O)[O-] ZINC000601224840 566397213 /nfs/dbraw/zinc/39/72/13/566397213.db2.gz BMLCZYVFUQJTEC-UHFFFAOYSA-N 1 0 395.261 3.268 10 5 GGBERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485451755 566498227 /nfs/dbraw/zinc/49/82/27/566498227.db2.gz NAXVRNQBULHYPF-NHYWBVRUSA-N 1 0 397.273 3.448 10 5 GGBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000539059282 566556611 /nfs/dbraw/zinc/55/66/11/566556611.db2.gz BDXBNBVMMQPINJ-HNNXBMFYSA-N 1 0 386.539 3.270 10 5 GGBERO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(S(C)(=O)=O)CC1 ZINC000512884340 566566556 /nfs/dbraw/zinc/56/65/56/566566556.db2.gz DFRHNOHFMUXZIF-LBPRGKRZSA-N 1 0 380.491 3.379 10 5 GGBERO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(S(C)(=O)=O)CC1 ZINC000512884338 566566635 /nfs/dbraw/zinc/56/66/35/566566635.db2.gz DFRHNOHFMUXZIF-GFCCVEGCSA-N 1 0 380.491 3.379 10 5 GGBERO C[NH+](C)C1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000609138428 566750452 /nfs/dbraw/zinc/75/04/52/566750452.db2.gz WIXKOFIGVQSORP-UHFFFAOYSA-N 1 0 379.258 3.436 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134821 566810608 /nfs/dbraw/zinc/81/06/08/566810608.db2.gz AUIBGBFZGMAUOR-WCQYABFASA-N 1 0 389.905 3.050 10 5 GGBERO CC1(C)CC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000589319798 567175588 /nfs/dbraw/zinc/17/55/88/567175588.db2.gz NUJKXZOPDFABEW-ZDUSSCGKSA-N 1 0 390.221 3.247 10 5 GGBERO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000615761581 567204706 /nfs/dbraw/zinc/20/47/06/567204706.db2.gz KBDJJJNCGODHLW-GFCCVEGCSA-N 1 0 380.491 3.409 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000455398845 567270642 /nfs/dbraw/zinc/27/06/42/567270642.db2.gz IJJYGDPVEBXOHH-UHFFFAOYSA-N 1 0 397.273 3.496 10 5 GGBERO CC[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591304519 567273153 /nfs/dbraw/zinc/27/31/53/567273153.db2.gz INDZOMQZYBNEFT-JQWIXIFHSA-N 1 0 385.262 3.257 10 5 GGBERO CC[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000591304521 567273446 /nfs/dbraw/zinc/27/34/46/567273446.db2.gz INDZOMQZYBNEFT-ZYHUDNBSSA-N 1 0 385.262 3.257 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592537413 567345779 /nfs/dbraw/zinc/34/57/79/567345779.db2.gz APBVQEHNJFNCJC-TZMCWYRMSA-N 1 0 383.901 3.331 10 5 GGBERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435326396 567355705 /nfs/dbraw/zinc/35/57/05/567355705.db2.gz DHILHEQTUWLQLD-NSHDSACASA-N 1 0 385.262 3.129 10 5 GGBERO Cc1c(NC(=O)NCC2CC[NH+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435329010 567356002 /nfs/dbraw/zinc/35/60/02/567356002.db2.gz NWTCGRSXXCTNCA-UHFFFAOYSA-N 1 0 385.262 3.129 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330456 567356432 /nfs/dbraw/zinc/35/64/32/567356432.db2.gz SWEYEVKAKMLVNC-BXKDBHETSA-N 1 0 385.262 3.270 10 5 GGBERO Cc1c(NC(=O)N(CC[NH+](C)C)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435332808 567358357 /nfs/dbraw/zinc/35/83/57/567358357.db2.gz MNWFHFFUOBUGCB-UHFFFAOYSA-N 1 0 387.278 3.470 10 5 GGBERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501068615 567363099 /nfs/dbraw/zinc/36/30/99/567363099.db2.gz GSNTXABDXFGXOW-ZWNOBZJWSA-N 1 0 385.262 3.304 10 5 GGBERO C[NH+]1CCC2(CCCN2C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501093432 567364300 /nfs/dbraw/zinc/36/43/00/567364300.db2.gz JDLLZKJNGSXXIB-UHFFFAOYSA-N 1 0 397.273 3.449 10 5 GGBERO CN(CCC[NH+]1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501100968 567364798 /nfs/dbraw/zinc/36/47/98/567364798.db2.gz RFPORDDXQYMUJU-UHFFFAOYSA-N 1 0 385.262 3.307 10 5 GGBERO CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000436342451 567420403 /nfs/dbraw/zinc/42/04/03/567420403.db2.gz IFGKRBFXDWGMSY-CHWSQXEVSA-N 1 0 376.404 3.025 10 5 GGBERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O ZINC000594978097 567530410 /nfs/dbraw/zinc/53/04/10/567530410.db2.gz XTPRWPIPZHVRQN-JSGCOSHPSA-N 1 0 380.491 3.379 10 5 GGBERO COC1CC(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594967842 567530657 /nfs/dbraw/zinc/53/06/57/567530657.db2.gz WOSMBUTZPLJVOX-UHFFFAOYSA-N 1 0 390.221 3.104 10 5 GGBERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O ZINC000594978098 567531382 /nfs/dbraw/zinc/53/13/82/567531382.db2.gz XTPRWPIPZHVRQN-OCCSQVGLSA-N 1 0 380.491 3.379 10 5 GGBERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000594994420 567533222 /nfs/dbraw/zinc/53/32/22/567533222.db2.gz VKTNLKFHJHCKJX-UHFFFAOYSA-N 1 0 380.491 3.380 10 5 GGBERO Cc1c(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc(Br)cc1[N+](=O)[O-] ZINC000571623528 567576933 /nfs/dbraw/zinc/57/69/33/567576933.db2.gz DGNCAOIXIFGFSU-MRXNPFEDSA-N 1 0 397.273 3.273 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595933631 567594614 /nfs/dbraw/zinc/59/46/14/567594614.db2.gz IYTZCQRFICFPHR-ZDUSSCGKSA-N 1 0 396.285 3.209 10 5 GGBERO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000572169245 567618800 /nfs/dbraw/zinc/61/88/00/567618800.db2.gz HHCCYXXMSKKESS-UHFFFAOYSA-N 1 0 390.221 3.058 10 5 GGBERO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000459550115 567635230 /nfs/dbraw/zinc/63/52/30/567635230.db2.gz HHHVZQWLJBXYNA-LLVKDONJSA-N 1 0 385.262 3.211 10 5 GGBERO CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CC[N@H+](CC)C1 ZINC000598039708 567733914 /nfs/dbraw/zinc/73/39/14/567733914.db2.gz MALCYWKMGVZUKM-LBPRGKRZSA-N 1 0 384.274 3.222 10 5 GGBERO CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598038895 567734126 /nfs/dbraw/zinc/73/41/26/567734126.db2.gz GQJNZTQKJDZHNF-ZDUSSCGKSA-N 1 0 384.274 3.222 10 5 GGBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598465101 567769675 /nfs/dbraw/zinc/76/96/75/567769675.db2.gz CPNXJMUSPDHWNT-UHFFFAOYSA-N 1 0 386.290 3.136 10 5 GGBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599001170 567802596 /nfs/dbraw/zinc/80/25/96/567802596.db2.gz ZFQZCTCCPYXYMK-LFNDISMMSA-N 1 0 390.221 3.101 10 5 GGBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599001171 567802693 /nfs/dbraw/zinc/80/26/93/567802693.db2.gz ZFQZCTCCPYXYMK-PUXPGTEJSA-N 1 0 390.221 3.101 10 5 GGBERO CC1([NH+]2CCOCC2)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000599160122 567807911 /nfs/dbraw/zinc/80/79/11/567807911.db2.gz GHTKLWYSSQXQMR-UHFFFAOYSA-N 1 0 384.274 3.048 10 5 GGBERO Cc1ccc(NC(=O)[C@@H]([NH2+]CCCn2ccnc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012629354 570692432 /nfs/dbraw/zinc/69/24/32/570692432.db2.gz FJXYACKOJLQMNP-FQEVSTJZSA-N 1 0 393.447 3.459 10 5 GGBERO C[C@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000012510646 570824758 /nfs/dbraw/zinc/82/47/58/570824758.db2.gz DMVOOXGHHWIZJY-HNNXBMFYSA-N 1 0 386.496 3.188 10 5 GGBERO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c2ncccc12 ZINC000029871590 1400369406 /nfs/dbraw/zinc/36/94/06/1400369406.db2.gz OYVWTUISPNPMGK-UHFFFAOYSA-N 1 0 390.443 3.400 10 5 GGBERO CCc1cc(N2CC[NH+]([C@H]3CCSC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079076559 1409955234 /nfs/dbraw/zinc/95/52/34/1409955234.db2.gz OIBIFFBQOWHMDO-SFHVURJKSA-N 1 0 399.520 3.242 10 5 GGBERO COCC[N@H+](C)C[C@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095944988 1410316371 /nfs/dbraw/zinc/31/63/71/1410316371.db2.gz PDEAYAVHGDKZMM-LJQANCHMSA-N 1 0 397.475 3.373 10 5 GGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180834264 1430062975 /nfs/dbraw/zinc/06/29/75/1430062975.db2.gz BFAKQCDFGMRBMG-HNNXBMFYSA-N 1 0 379.420 3.378 10 5 GGBERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C1)CCCC2 ZINC000275246224 1435125403 /nfs/dbraw/zinc/12/54/03/1435125403.db2.gz GRPVAYVLQXOODA-DVQDXYAYSA-N 1 0 380.448 3.465 10 5 GGBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278179662 1435366990 /nfs/dbraw/zinc/36/69/90/1435366990.db2.gz DBYZXBZNLVHDBD-AWEZNQCLSA-N 1 0 395.385 3.362 10 5 GGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)Cc1cc(=O)n2ccccc2n1 ZINC000249705936 717165154 /nfs/dbraw/zinc/16/51/54/717165154.db2.gz NQZIXHWFVFFGNI-AREMUKBSSA-N 1 0 391.451 3.462 10 5 GGBERO COc1ccc(-c2ccc(C[NH2+]C3(CO)Cc4ccccc4C3)o2)c([N+](=O)[O-])c1 ZINC000557800757 1126097357 /nfs/dbraw/zinc/09/73/57/1126097357.db2.gz YKFFJXUERYLUJQ-UHFFFAOYSA-N 1 0 394.427 3.483 10 5 GGBERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000865771499 1126116084 /nfs/dbraw/zinc/11/60/84/1126116084.db2.gz JEGOZYZMYUMNBH-IBGZPJMESA-N 1 0 392.839 3.198 10 5 GGBERO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC001198230862 1126155796 /nfs/dbraw/zinc/15/57/96/1126155796.db2.gz SNFFHSQXFPEJBS-GOSISDBHSA-N 1 0 382.819 3.479 10 5 GGBERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460873919 1126193564 /nfs/dbraw/zinc/19/35/64/1126193564.db2.gz ZKWDJSHXJUPWJU-HXUWFJFHSA-N 1 0 385.395 3.472 10 5 GGBERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC001620625269 1126242233 /nfs/dbraw/zinc/24/22/33/1126242233.db2.gz PMTOSKIFPCIIQN-IBGZPJMESA-N 1 0 394.855 3.349 10 5 GGBERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC001648470558 1126251030 /nfs/dbraw/zinc/25/10/30/1126251030.db2.gz XZYLVKYPTQKFEK-IBGZPJMESA-N 1 0 394.855 3.349 10 5 GGBERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001655735741 1126255920 /nfs/dbraw/zinc/25/59/20/1126255920.db2.gz HLYVQKDIGDEQKC-HXUWFJFHSA-N 1 0 385.395 3.472 10 5 GGBERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001656293075 1126257358 /nfs/dbraw/zinc/25/73/58/1126257358.db2.gz IUZHYANPSKAUMD-KRWDZBQOSA-N 1 0 379.800 3.240 10 5 GGBERO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c2ccncc21 ZINC000012643468 206922820 /nfs/dbraw/zinc/92/28/20/206922820.db2.gz JLRSAVFFALTQCF-UHFFFAOYSA-N 1 0 390.443 3.400 10 5 GGBERO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015906256 207068267 /nfs/dbraw/zinc/06/82/67/207068267.db2.gz YLRZWWHPSAQKQT-FUHWJXTLSA-N 1 0 396.403 3.260 10 5 GGBERO C[N@@H+](Cc1ccccc1N1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025301853 207302982 /nfs/dbraw/zinc/30/29/82/207302982.db2.gz XHNGEMPKEBVBHU-FQEVSTJZSA-N 1 0 399.491 3.457 10 5 GGBERO C[C@H](Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000225514448 208956274 /nfs/dbraw/zinc/95/62/74/208956274.db2.gz JRYVQVSWNRULKX-VNHYZAJKSA-N 1 0 387.402 3.305 10 5 GGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119549739 564276432 /nfs/dbraw/zinc/27/64/32/564276432.db2.gz QGQOGVSSJSCDGZ-CYBMUJFWSA-N 1 0 384.274 3.208 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000122433463 564414090 /nfs/dbraw/zinc/41/40/90/564414090.db2.gz QWSQYNYQIQJEGM-IAQYHMDHSA-N 1 0 384.274 3.160 10 5 GGBERO C[C@@H]1CCC[N@H+](CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000036393211 564416984 /nfs/dbraw/zinc/41/69/84/564416984.db2.gz KBEAVDUKWIOJGQ-CYBMUJFWSA-N 1 0 389.905 3.039 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)C1 ZINC000122527093 564417076 /nfs/dbraw/zinc/41/70/76/564417076.db2.gz KNIHQFGAVQCPMO-IAQYHMDHSA-N 1 0 384.274 3.160 10 5 GGBERO Cc1c(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000297242586 565363298 /nfs/dbraw/zinc/36/32/98/565363298.db2.gz WNXDHLRSQVEWNC-INIZCTEOSA-N 1 0 397.273 3.225 10 5 GGBERO O=[N+]([O-])c1ccc(Br)cc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000301664901 565503563 /nfs/dbraw/zinc/50/35/63/565503563.db2.gz LBUNJKSPWITQSW-UHFFFAOYSA-N 1 0 384.274 3.048 10 5 GGBERO O=[N+]([O-])c1cnc(Nc2cnn(CC[NH+]3CCCCC3)c2)c(Br)c1 ZINC000301967416 565522342 /nfs/dbraw/zinc/52/23/42/565522342.db2.gz ZKPXOJOSQPZELW-UHFFFAOYSA-N 1 0 395.261 3.178 10 5 GGBERO Cc1cc(NC2CCN(CC[NH+](C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302660952 565548454 /nfs/dbraw/zinc/54/84/54/565548454.db2.gz IITGWOONDYNLLW-UHFFFAOYSA-N 1 0 385.306 3.104 10 5 GGBERO Cc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302663004 565548739 /nfs/dbraw/zinc/54/87/39/565548739.db2.gz IUQLSHFEXOJLEK-ZDUSSCGKSA-N 1 0 398.301 3.355 10 5 GGBERO C[N@@H+]1CC[C@@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC000408145839 565597274 /nfs/dbraw/zinc/59/72/74/565597274.db2.gz LBCALODKAYKEDE-BZNIZROVSA-N 1 0 391.269 3.436 10 5 GGBERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383962 565606159 /nfs/dbraw/zinc/60/61/59/565606159.db2.gz FAGSIBVSWCGLGK-AAEUAGOBSA-N 1 0 382.258 3.056 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280647050 565685966 /nfs/dbraw/zinc/68/59/66/565685966.db2.gz BTKOLFMJTKTERD-LLVKDONJSA-N 1 0 385.262 3.081 10 5 GGBERO Cc1c(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280705393 565690330 /nfs/dbraw/zinc/69/03/30/565690330.db2.gz IFKGDXCNIGLCDL-NSHDSACASA-N 1 0 397.273 3.438 10 5 GGBERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000280816704 565697820 /nfs/dbraw/zinc/69/78/20/565697820.db2.gz SYIPOOYRJJDRQI-GFCCVEGCSA-N 1 0 399.289 3.471 10 5 GGBERO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000175777559 565723818 /nfs/dbraw/zinc/72/38/18/565723818.db2.gz IEQDDPAFSSSATO-AWEZNQCLSA-N 1 0 396.285 3.448 10 5 GGBERO CC[NH+]1CCC(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177346230 565843881 /nfs/dbraw/zinc/84/38/81/565843881.db2.gz HGKDJAURTTUGPJ-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO COc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000286636993 565971742 /nfs/dbraw/zinc/97/17/42/565971742.db2.gz SUUDOLNJVUDEDQ-KRWDZBQOSA-N 1 0 395.253 3.363 10 5 GGBERO C[C@](CO)(NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1 ZINC000286670387 565973608 /nfs/dbraw/zinc/97/36/08/565973608.db2.gz VAYPWBAQVMJMTR-MRXNPFEDSA-N 1 0 383.217 3.494 10 5 GGBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000245503071 565992652 /nfs/dbraw/zinc/99/26/52/565992652.db2.gz CMOJLOPJFRLPAC-KGLIPLIRSA-N 1 0 396.285 3.365 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650044 566010631 /nfs/dbraw/zinc/01/06/31/566010631.db2.gz DYLOIKNZSOWXGF-ZYHUDNBSSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1c(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415651927 566010721 /nfs/dbraw/zinc/01/07/21/566010721.db2.gz GYNDMQJRLXJXHW-GXFFZTMASA-N 1 0 385.262 3.399 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656029 566012103 /nfs/dbraw/zinc/01/21/03/566012103.db2.gz KZRYVQFAVQAWJX-GHMZBOCLSA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415657317 566012149 /nfs/dbraw/zinc/01/21/49/566012149.db2.gz MEZWQZKNFKWJOS-KOLCDFICSA-N 1 0 385.262 3.114 10 5 GGBERO Cc1c(NC(=O)NCC2([NH3+])CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000415664561 566012192 /nfs/dbraw/zinc/01/21/92/566012192.db2.gz UFOSKQHXBZVILS-UHFFFAOYSA-N 1 0 385.262 3.449 10 5 GGBERO Cc1c(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415654799 566012377 /nfs/dbraw/zinc/01/23/77/566012377.db2.gz JKPVJVZDEBNDSF-SNVBAGLBSA-N 1 0 385.262 3.257 10 5 GGBERO C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000261636214 566126189 /nfs/dbraw/zinc/12/61/89/566126189.db2.gz DNMRYUCWQTYYTP-MNOVXSKESA-N 1 0 379.258 3.327 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261825034 566136045 /nfs/dbraw/zinc/13/60/45/566136045.db2.gz WYCCTPQNOBPLKV-NEPJUHHUSA-N 1 0 377.242 3.236 10 5 GGBERO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182569619 566212610 /nfs/dbraw/zinc/21/26/10/566212610.db2.gz OFSMCAKTLSRIMP-SNVBAGLBSA-N 1 0 378.226 3.307 10 5 GGBERO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000182660177 566217886 /nfs/dbraw/zinc/21/78/86/566217886.db2.gz FTLFQFLEINGMCZ-UHFFFAOYSA-N 1 0 382.258 3.058 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc(Br)cc1[N+](=O)[O-] ZINC000599606618 566279010 /nfs/dbraw/zinc/27/90/10/566279010.db2.gz OUQRHXZSSVAVJT-CYBMUJFWSA-N 1 0 383.246 3.072 10 5 GGBERO Cc1c(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599607272 566280805 /nfs/dbraw/zinc/28/08/05/566280805.db2.gz VGCGIHUNDDLGHS-IYBDPMFKSA-N 1 0 397.273 3.129 10 5 GGBERO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651975 566282929 /nfs/dbraw/zinc/28/29/29/566282929.db2.gz JYLVZUWWTBKSMW-GXTWGEPZSA-N 1 0 379.258 3.432 10 5 GGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600230583 566326198 /nfs/dbraw/zinc/32/61/98/566326198.db2.gz VHXNMFJBQUATDC-CYBMUJFWSA-N 1 0 396.285 3.494 10 5 GGBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600472734 566340185 /nfs/dbraw/zinc/34/01/85/566340185.db2.gz PHQCFEMDSSLJNL-AWEZNQCLSA-N 1 0 385.251 3.273 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600472288 566340872 /nfs/dbraw/zinc/34/08/72/566340872.db2.gz NVWSGMVWEQUKML-AWEZNQCLSA-N 1 0 383.901 3.473 10 5 GGBERO Cc1c(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000421114894 566346496 /nfs/dbraw/zinc/34/64/96/566346496.db2.gz GTBCOGYYKKLHND-GFCCVEGCSA-N 1 0 385.262 3.224 10 5 GGBERO CC(C)[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000462872402 566362206 /nfs/dbraw/zinc/36/22/06/566362206.db2.gz FIAMFPMFHWITTP-CYBMUJFWSA-N 1 0 390.221 3.199 10 5 GGBERO CCC1([NH+](C)C)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000601791899 566424400 /nfs/dbraw/zinc/42/44/00/566424400.db2.gz QBYTXEHTGMVFEG-UHFFFAOYSA-N 1 0 398.301 3.233 10 5 GGBERO C[C@@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000511568054 566473088 /nfs/dbraw/zinc/47/30/88/566473088.db2.gz SDBZRAIWOSJDHQ-KRWDZBQOSA-N 1 0 379.254 3.397 10 5 GGBERO COc1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511587930 566473359 /nfs/dbraw/zinc/47/33/59/566473359.db2.gz MRWLQUOIDAKVNM-KRWDZBQOSA-N 1 0 395.253 3.363 10 5 GGBERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485451760 566497983 /nfs/dbraw/zinc/49/79/83/566497983.db2.gz NAXVRNQBULHYPF-XHDPSFHLSA-N 1 0 397.273 3.448 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000559517927 566554399 /nfs/dbraw/zinc/55/43/99/566554399.db2.gz PHXHGZQOJXWBJI-LLVKDONJSA-N 1 0 384.274 3.270 10 5 GGBERO CSCCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000514760877 566668704 /nfs/dbraw/zinc/66/87/04/566668704.db2.gz YHAPAFRACCRASE-UHFFFAOYSA-N 1 0 380.251 3.432 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134820 566810434 /nfs/dbraw/zinc/81/04/34/566810434.db2.gz AUIBGBFZGMAUOR-DGCLKSJQSA-N 1 0 389.905 3.050 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134819 566810834 /nfs/dbraw/zinc/81/08/34/566810834.db2.gz AUIBGBFZGMAUOR-AAEUAGOBSA-N 1 0 389.905 3.050 10 5 GGBERO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522558163 567121042 /nfs/dbraw/zinc/12/10/42/567121042.db2.gz YEGOMHVDDXRISE-HNNXBMFYSA-N 1 0 391.921 3.201 10 5 GGBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592173267 567319584 /nfs/dbraw/zinc/31/95/84/567319584.db2.gz WPNWLXQEVPDVBH-BNOWGMLFSA-N 1 0 375.288 3.356 10 5 GGBERO Cc1c(NC(=O)NCCC[NH+]2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330681 567355964 /nfs/dbraw/zinc/35/59/64/567355964.db2.gz VKYOJXBMOYPGGA-UHFFFAOYSA-N 1 0 385.262 3.273 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000501097749 567364282 /nfs/dbraw/zinc/36/42/82/567364282.db2.gz CVFAGJIQYRRJHR-AWEZNQCLSA-N 1 0 397.273 3.449 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000501117451 567366579 /nfs/dbraw/zinc/36/65/79/567366579.db2.gz APVWDZYTSBZHKD-UHFFFAOYSA-N 1 0 397.273 3.353 10 5 GGBERO Cc1c(Br)cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000477968729 567428432 /nfs/dbraw/zinc/42/84/32/567428432.db2.gz OSTMSOPGFYIODJ-UHFFFAOYSA-N 1 0 396.285 3.412 10 5 GGBERO Cc1c(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000594107239 567460057 /nfs/dbraw/zinc/46/00/57/567460057.db2.gz KCHSIKZKOJYUHX-KLPPZKSPSA-N 1 0 385.262 3.127 10 5 GGBERO CO[C@](C)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000594508181 567481890 /nfs/dbraw/zinc/48/18/90/567481890.db2.gz BOXHCIYXJRLXLN-INIZCTEOSA-N 1 0 399.241 3.104 10 5 GGBERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O ZINC000594974440 567530232 /nfs/dbraw/zinc/53/02/32/567530232.db2.gz KTRGJEQAXLNKNE-OLZOCXBDSA-N 1 0 380.491 3.379 10 5 GGBERO C[C@@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594978623 567530672 /nfs/dbraw/zinc/53/06/72/567530672.db2.gz TUYJGZSUNYZOEK-NSHDSACASA-N 1 0 382.148 3.334 10 5 GGBERO C[C@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594978622 567530690 /nfs/dbraw/zinc/53/06/90/567530690.db2.gz TUYJGZSUNYZOEK-LLVKDONJSA-N 1 0 382.148 3.334 10 5 GGBERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O ZINC000594978099 567530944 /nfs/dbraw/zinc/53/09/44/567530944.db2.gz XTPRWPIPZHVRQN-TZMCWYRMSA-N 1 0 380.491 3.379 10 5 GGBERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O ZINC000594974441 567531426 /nfs/dbraw/zinc/53/14/26/567531426.db2.gz KTRGJEQAXLNKNE-QWHCGFSZSA-N 1 0 380.491 3.379 10 5 GGBERO C[C@H]1CCC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000594983641 567532296 /nfs/dbraw/zinc/53/22/96/567532296.db2.gz HGWORLXPWRFNSX-IINYFYTJSA-N 1 0 390.221 3.247 10 5 GGBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595635781 567575374 /nfs/dbraw/zinc/57/53/74/567575374.db2.gz WRSWFJYXWUESKM-NILFDRSVSA-N 1 0 387.274 3.013 10 5 GGBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935160 567594474 /nfs/dbraw/zinc/59/44/74/567594474.db2.gz AKMUBXLXBWAPCK-CYBMUJFWSA-N 1 0 396.285 3.209 10 5 GGBERO O=[N+]([O-])c1cccc(Br)c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269691 567620247 /nfs/dbraw/zinc/62/02/47/567620247.db2.gz YMYDUWHWYLPOBX-UHFFFAOYSA-N 1 0 384.274 3.048 10 5 GGBERO O=[N+]([O-])c1cc(Br)cnc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314765 567623016 /nfs/dbraw/zinc/62/30/16/567623016.db2.gz PHSCVXQWEAUXHS-UHFFFAOYSA-N 1 0 399.289 3.055 10 5 GGBERO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000596889879 567662636 /nfs/dbraw/zinc/66/26/36/567662636.db2.gz ZXRBLFFVEHABMW-GFCCVEGCSA-N 1 0 385.262 3.224 10 5 GGBERO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596900675 567663433 /nfs/dbraw/zinc/66/34/33/567663433.db2.gz TUHYWHJKYPDNKV-ZDUSSCGKSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1sc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000553559625 567665966 /nfs/dbraw/zinc/66/59/66/567665966.db2.gz MEFAQSUBQDLQDW-UHFFFAOYSA-N 1 0 389.543 3.240 10 5 GGBERO CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598038894 567734475 /nfs/dbraw/zinc/73/44/75/567734475.db2.gz GQJNZTQKJDZHNF-CYBMUJFWSA-N 1 0 384.274 3.222 10 5 GGBERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000573948677 567745778 /nfs/dbraw/zinc/74/57/78/567745778.db2.gz GHLPTKXVEMWCRD-ZDUSSCGKSA-N 1 0 384.274 3.304 10 5 GGBERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000573948673 567745988 /nfs/dbraw/zinc/74/59/88/567745988.db2.gz GHLPTKXVEMWCRD-CYBMUJFWSA-N 1 0 384.274 3.304 10 5 GGBERO CC1(C)SC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554976882 567761219 /nfs/dbraw/zinc/76/12/19/567761219.db2.gz YCSLJLYWYLXVGC-LLVKDONJSA-N 1 0 378.235 3.183 10 5 GGBERO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000598985805 567801670 /nfs/dbraw/zinc/80/16/70/567801670.db2.gz YWCGMKOJRYAPKI-NSHDSACASA-N 1 0 390.221 3.106 10 5 GGBERO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170613511 570871795 /nfs/dbraw/zinc/87/17/95/570871795.db2.gz NBHREHWMXWYGLG-HZPDHXFCSA-N 1 0 378.473 3.072 10 5 GGBERO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000170613512 570871858 /nfs/dbraw/zinc/87/18/58/570871858.db2.gz NBHREHWMXWYGLG-CVEARBPZSA-N 1 0 378.473 3.072 10 5 GGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000045803363 570997288 /nfs/dbraw/zinc/99/72/88/570997288.db2.gz QGDKVZDNIDFJKK-OAGGEKHMSA-N 1 0 375.469 3.004 10 5 GGBERO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093865706 1410276483 /nfs/dbraw/zinc/27/64/83/1410276483.db2.gz AFTMFGCQTCDTCD-LJQANCHMSA-N 1 0 379.420 3.044 10 5 GGBERO Cc1c(NC(=O)CCN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cccc1[N+](=O)[O-] ZINC000177925097 1428893247 /nfs/dbraw/zinc/89/32/47/1428893247.db2.gz GGWZNQMMNBIYFH-SQGPQFPESA-N 1 0 386.496 3.038 10 5 GGBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156469879 1423814463 /nfs/dbraw/zinc/81/44/63/1423814463.db2.gz CCAPPZXHSBOUMH-ZQIUZPCESA-N 1 0 382.424 3.485 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180834308 1430063361 /nfs/dbraw/zinc/06/33/61/1430063361.db2.gz ASPHFLJWTSPISM-HNNXBMFYSA-N 1 0 379.420 3.378 10 5 GGBERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000192241425 1432821551 /nfs/dbraw/zinc/82/15/51/1432821551.db2.gz WWPQBRIWJYRUBU-UHFFFAOYSA-N 1 0 393.484 3.236 10 5 GGBERO C[C@H](Cc1ccccc1[N+](=O)[O-])[C@@H](C)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000225514528 1433367064 /nfs/dbraw/zinc/36/70/64/1433367064.db2.gz JRYVQVSWNRULKX-UMVBOHGHSA-N 1 0 387.402 3.305 10 5 GGBERO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000230288679 1433372620 /nfs/dbraw/zinc/37/26/20/1433372620.db2.gz NBHREHWMXWYGLG-JKSUJKDBSA-N 1 0 378.473 3.072 10 5 GGBERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C1)CCCC2 ZINC000275247641 1435125645 /nfs/dbraw/zinc/12/56/45/1435125645.db2.gz GRPVAYVLQXOODA-SXSDINLZSA-N 1 0 380.448 3.465 10 5 GGBERO C[N+]1(C)[C@H]2C=C[C@@H]1C[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 ZINC000498043645 717182915 /nfs/dbraw/zinc/18/29/15/717182915.db2.gz ZSFMCDALUUSWAN-QDMKHBRRSA-N 1 0 376.523 3.135 10 5 GGBERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001176589268 1126149830 /nfs/dbraw/zinc/14/98/30/1126149830.db2.gz WORVGOHYKKPAHC-NRFANRHFSA-N 1 0 397.431 3.342 10 5 GGBERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460873916 1126193476 /nfs/dbraw/zinc/19/34/76/1126193476.db2.gz ZKWDJSHXJUPWJU-FQEVSTJZSA-N 1 0 385.395 3.472 10 5 GGBERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC001473839606 1126199821 /nfs/dbraw/zinc/19/98/21/1126199821.db2.gz FPIYMQRTIUKWQL-IBGZPJMESA-N 1 0 394.855 3.349 10 5 GGBERO CC[NH+]1CCC(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120589583 564327848 /nfs/dbraw/zinc/32/78/48/564327848.db2.gz IAZLNZIKSJUQNG-UHFFFAOYSA-N 1 0 398.301 3.138 10 5 GGBERO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000026712498 564348688 /nfs/dbraw/zinc/34/86/88/564348688.db2.gz MBFUBPDWCZWABH-OCCSQVGLSA-N 1 0 395.253 3.448 10 5 GGBERO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000026712494 564349116 /nfs/dbraw/zinc/34/91/16/564349116.db2.gz MBFUBPDWCZWABH-GXTWGEPZSA-N 1 0 395.253 3.448 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000122433750 564414063 /nfs/dbraw/zinc/41/40/63/564414063.db2.gz RBHPOJHKCGAUDY-UHFFFAOYSA-N 1 0 396.285 3.305 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122487173 564416239 /nfs/dbraw/zinc/41/62/39/564416239.db2.gz VLYFDQKKJIRRIH-RISCZKNCSA-N 1 0 384.274 3.160 10 5 GGBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126037657 564535074 /nfs/dbraw/zinc/53/50/74/564535074.db2.gz CMOJLOPJFRLPAC-UONOGXRCSA-N 1 0 396.285 3.365 10 5 GGBERO C[NH+](C)CC1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000130080449 564670218 /nfs/dbraw/zinc/67/02/18/564670218.db2.gz KTVRIYCWKWRDJG-UHFFFAOYSA-N 1 0 398.301 3.136 10 5 GGBERO CCC[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000131314218 564708153 /nfs/dbraw/zinc/70/81/53/564708153.db2.gz GTNIJHLUKZLFHO-UHFFFAOYSA-N 1 0 398.301 3.138 10 5 GGBERO C[C@H]1C[NH+](CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000072301803 564861880 /nfs/dbraw/zinc/86/18/80/564861880.db2.gz CHPXJMWTGHSSDU-QWRGUYRKSA-N 1 0 390.253 3.408 10 5 GGBERO CC[N@@H+]1CCC[C@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482905 564902002 /nfs/dbraw/zinc/90/20/02/564902002.db2.gz LCZUIRPMAUETLK-NSHDSACASA-N 1 0 375.210 3.096 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000153018527 564981554 /nfs/dbraw/zinc/98/15/54/564981554.db2.gz LPNZXFULJUIRBG-MLGOLLRUSA-N 1 0 398.301 3.089 10 5 GGBERO O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000153796619 565011681 /nfs/dbraw/zinc/01/16/81/565011681.db2.gz PBIBNKPVAOVZFJ-UHFFFAOYSA-N 1 0 380.861 3.188 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000183595644 565080466 /nfs/dbraw/zinc/08/04/66/565080466.db2.gz DUTYGOOWBYDXSF-OAHLLOKOSA-N 1 0 395.253 3.195 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000183595628 565081015 /nfs/dbraw/zinc/08/10/15/565081015.db2.gz DUTYGOOWBYDXSF-HNNXBMFYSA-N 1 0 395.253 3.195 10 5 GGBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183887343 565100982 /nfs/dbraw/zinc/10/09/82/565100982.db2.gz JJVSCHDHKSFRIA-CQSZACIVSA-N 1 0 381.226 3.059 10 5 GGBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000162161641 565307782 /nfs/dbraw/zinc/30/77/82/565307782.db2.gz ONRVKINXPIYJGL-UHFFFAOYSA-N 1 0 382.258 3.058 10 5 GGBERO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000375548327 565394768 /nfs/dbraw/zinc/39/47/68/565394768.db2.gz IAHSVRFILVAREH-ZDUSSCGKSA-N 1 0 385.262 3.305 10 5 GGBERO CC[C@H](CO)[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301473205 565488868 /nfs/dbraw/zinc/48/88/68/565488868.db2.gz QSRIYGLPZHQNDB-SNVBAGLBSA-N 1 0 381.782 3.160 10 5 GGBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301739577 565507988 /nfs/dbraw/zinc/50/79/88/565507988.db2.gz JTJQHPLEHZOJNF-HNNXBMFYSA-N 1 0 398.301 3.439 10 5 GGBERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190554428 565541341 /nfs/dbraw/zinc/54/13/41/565541341.db2.gz QVGHHULFWFLDNT-LBPRGKRZSA-N 1 0 380.495 3.015 10 5 GGBERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190550847 565541385 /nfs/dbraw/zinc/54/13/85/565541385.db2.gz RBZHNPWIDBWVMP-GFCCVEGCSA-N 1 0 380.495 3.015 10 5 GGBERO Cc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302663003 565548557 /nfs/dbraw/zinc/54/85/57/565548557.db2.gz IUQLSHFEXOJLEK-CYBMUJFWSA-N 1 0 398.301 3.355 10 5 GGBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000392245199 565564642 /nfs/dbraw/zinc/56/46/42/565564642.db2.gz QNRFPBKRLSDCQR-AWEZNQCLSA-N 1 0 385.247 3.474 10 5 GGBERO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000174100989 565613322 /nfs/dbraw/zinc/61/33/22/565613322.db2.gz ZTEQLBOIRQTSAV-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO CC[NH+]1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280652305 565687239 /nfs/dbraw/zinc/68/72/39/565687239.db2.gz CGWMUCSGLAUBMG-UHFFFAOYSA-N 1 0 385.262 3.272 10 5 GGBERO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280733986 565692719 /nfs/dbraw/zinc/69/27/19/565692719.db2.gz KSSWJWDGMGOHEQ-CYBMUJFWSA-N 1 0 395.257 3.144 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)cc1[N+](=O)[O-] ZINC000280768180 565694567 /nfs/dbraw/zinc/69/45/67/565694567.db2.gz OBDDUYNOSNHFRC-OLZOCXBDSA-N 1 0 397.273 3.366 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H](C)C1 ZINC000330477747 565709032 /nfs/dbraw/zinc/70/90/32/565709032.db2.gz WRSHROYMVCHSJU-ZBEGNZNMSA-N 1 0 398.301 3.468 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000176004744 565739814 /nfs/dbraw/zinc/73/98/14/565739814.db2.gz QGXATPDPVXRDRT-BXUZGUMPSA-N 1 0 384.274 3.160 10 5 GGBERO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000413225411 565840523 /nfs/dbraw/zinc/84/05/23/565840523.db2.gz GQTTTYXVLJXHFF-QWHCGFSZSA-N 1 0 376.404 3.025 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000284401698 565852964 /nfs/dbraw/zinc/85/29/64/565852964.db2.gz QQOVCCPNEDFGAP-PWSUYJOCSA-N 1 0 384.274 3.220 10 5 GGBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000245503070 565992626 /nfs/dbraw/zinc/99/26/26/565992626.db2.gz CMOJLOPJFRLPAC-KBPBESRZSA-N 1 0 396.285 3.365 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650043 566011377 /nfs/dbraw/zinc/01/13/77/566011377.db2.gz DYLOIKNZSOWXGF-PWSUYJOCSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1c(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415647514 566011410 /nfs/dbraw/zinc/01/14/10/566011410.db2.gz APJPCOBWVRUTTC-OAHLLOKOSA-N 1 0 385.262 3.177 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415654919 566012177 /nfs/dbraw/zinc/01/21/77/566012177.db2.gz JVWHWMBOPBZZLQ-CYBMUJFWSA-N 1 0 385.262 3.175 10 5 GGBERO Cc1c(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415657318 566012185 /nfs/dbraw/zinc/01/21/85/566012185.db2.gz MEZWQZKNFKWJOS-MWLCHTKSSA-N 1 0 385.262 3.114 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415657316 566012367 /nfs/dbraw/zinc/01/23/67/566012367.db2.gz MEZWQZKNFKWJOS-GXSJLCMTSA-N 1 0 385.262 3.114 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415706241 566014567 /nfs/dbraw/zinc/01/45/67/566014567.db2.gz UOIYIAMSJCIWKS-RYUDHWBXSA-N 1 0 397.273 3.211 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000247459495 566061674 /nfs/dbraw/zinc/06/16/74/566061674.db2.gz QWSQYNYQIQJEGM-XHDPSFHLSA-N 1 0 384.274 3.160 10 5 GGBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CC([NH+]2CCCCC2)C1 ZINC000365428501 566101750 /nfs/dbraw/zinc/10/17/50/566101750.db2.gz NITJJMUDRIOTCL-UHFFFAOYSA-N 1 0 396.285 3.033 10 5 GGBERO C[C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000261636212 566125965 /nfs/dbraw/zinc/12/59/65/566125965.db2.gz DNMRYUCWQTYYTP-GHMZBOCLSA-N 1 0 379.258 3.327 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261867912 566138087 /nfs/dbraw/zinc/13/80/87/566138087.db2.gz LAGOBVAPYULWFK-GXFFZTMASA-N 1 0 377.242 3.094 10 5 GGBERO Cc1c(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366722941 566166149 /nfs/dbraw/zinc/16/61/49/566166149.db2.gz AGZBQUDYVYNFDX-ZDUSSCGKSA-N 1 0 397.273 3.368 10 5 GGBERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182205909 566189190 /nfs/dbraw/zinc/18/91/90/566189190.db2.gz SKEOOJDNTUHZLA-DOMZBBRYSA-N 1 0 395.253 3.448 10 5 GGBERO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)s1 ZINC000182958147 566231756 /nfs/dbraw/zinc/23/17/56/566231756.db2.gz ATNBUHGHAYUBRV-MRVPVSSYSA-N 1 0 383.813 3.328 10 5 GGBERO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000599472803 566267848 /nfs/dbraw/zinc/26/78/48/566267848.db2.gz QWSCKSIWXDZSHG-UHFFFAOYSA-N 1 0 396.285 3.305 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc(Br)cc1[N+](=O)[O-] ZINC000599606619 566278793 /nfs/dbraw/zinc/27/87/93/566278793.db2.gz OUQRHXZSSVAVJT-ZDUSSCGKSA-N 1 0 383.246 3.072 10 5 GGBERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462313931 566281803 /nfs/dbraw/zinc/28/18/03/566281803.db2.gz MGKNDKWIRHYZNA-KOLCDFICSA-N 1 0 396.296 3.005 10 5 GGBERO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651976 566284726 /nfs/dbraw/zinc/28/47/26/566284726.db2.gz JYLVZUWWTBKSMW-JSGCOSHPSA-N 1 0 379.258 3.432 10 5 GGBERO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000575916438 566297311 /nfs/dbraw/zinc/29/73/11/566297311.db2.gz IACSPMNTIZWTPQ-AWEZNQCLSA-N 1 0 385.247 3.474 10 5 GGBERO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445879375 566317272 /nfs/dbraw/zinc/31/72/72/566317272.db2.gz FXHQKDLKISSDMF-AWEZNQCLSA-N 1 0 381.230 3.009 10 5 GGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000600229547 566326577 /nfs/dbraw/zinc/32/65/77/566326577.db2.gz VPDLHUOJEBHQDA-AWEZNQCLSA-N 1 0 396.285 3.494 10 5 GGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600230584 566327071 /nfs/dbraw/zinc/32/70/71/566327071.db2.gz VHXNMFJBQUATDC-ZDUSSCGKSA-N 1 0 396.285 3.494 10 5 GGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600470339 566340884 /nfs/dbraw/zinc/34/08/84/566340884.db2.gz NBAZSQXCNXWROT-LBPRGKRZSA-N 1 0 382.258 3.104 10 5 GGBERO CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000446421733 566349535 /nfs/dbraw/zinc/34/95/35/566349535.db2.gz YVWQYLGRPSGKIE-LSDHHAIUSA-N 1 0 383.901 3.208 10 5 GGBERO CS[C@@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000446421732 566349634 /nfs/dbraw/zinc/34/96/34/566349634.db2.gz YVWQYLGRPSGKIE-HUUCEWRRSA-N 1 0 383.901 3.208 10 5 GGBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000600760517 566363595 /nfs/dbraw/zinc/36/35/95/566363595.db2.gz VFAFMJZBTZFCOG-UHFFFAOYSA-N 1 0 380.388 3.081 10 5 GGBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000600761346 566364025 /nfs/dbraw/zinc/36/40/25/566364025.db2.gz YAJUVCOQXCQGTA-NSHDSACASA-N 1 0 376.356 3.205 10 5 GGBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000600760470 566364387 /nfs/dbraw/zinc/36/43/87/566364387.db2.gz UNHMWUOPCFPZQU-LBPRGKRZSA-N 1 0 376.356 3.205 10 5 GGBERO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000421396257 566370423 /nfs/dbraw/zinc/37/04/23/566370423.db2.gz ZBZJFIPSDMZZAD-GXTWGEPZSA-N 1 0 390.221 3.247 10 5 GGBERO CC[C@@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000421396260 566371325 /nfs/dbraw/zinc/37/13/25/566371325.db2.gz ZBZJFIPSDMZZAD-TZMCWYRMSA-N 1 0 390.221 3.247 10 5 GGBERO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000601149325 566393612 /nfs/dbraw/zinc/39/36/12/566393612.db2.gz LEZASFNLNFALGQ-KRWDZBQOSA-N 1 0 395.253 3.363 10 5 GGBERO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000601740489 566422295 /nfs/dbraw/zinc/42/22/95/566422295.db2.gz UFAOLTJKEXAXBB-UHFFFAOYSA-N 1 0 396.285 3.448 10 5 GGBERO C[C@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000511568055 566472903 /nfs/dbraw/zinc/47/29/03/566472903.db2.gz SDBZRAIWOSJDHQ-QGZVFWFLSA-N 1 0 379.254 3.397 10 5 GGBERO Cc1csc(Sc2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000423647956 566493194 /nfs/dbraw/zinc/49/31/94/566493194.db2.gz RDFPJMKIVFUEHS-JQWIXIFHSA-N 1 0 378.479 3.073 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423980781 566500836 /nfs/dbraw/zinc/50/08/36/566500836.db2.gz SKTMXCSJNWCBAJ-TZMCWYRMSA-N 1 0 383.901 3.331 10 5 GGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610064368 566802391 /nfs/dbraw/zinc/80/23/91/566802391.db2.gz DAXMCFBWWOCRNH-TXEJJXNPSA-N 1 0 384.274 3.350 10 5 GGBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581853013 566808657 /nfs/dbraw/zinc/80/86/57/566808657.db2.gz HIFHHSCOJYURAF-AWEZNQCLSA-N 1 0 392.237 3.038 10 5 GGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610904582 566874316 /nfs/dbraw/zinc/87/43/16/566874316.db2.gz WTFQOOUTLQSNPF-UHFFFAOYSA-N 1 0 388.181 3.190 10 5 GGBERO Cc1c(Br)c(Nc2cnn(-c3cc[nH+]cc3)c2)ncc1[N+](=O)[O-] ZINC000612444767 566974014 /nfs/dbraw/zinc/97/40/14/566974014.db2.gz OEQQNASMUHAKEL-UHFFFAOYSA-N 1 0 375.186 3.385 10 5 GGBERO Cc1c(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000472319301 567019313 /nfs/dbraw/zinc/01/93/13/567019313.db2.gz URVYCXUCLSZQKY-UHFFFAOYSA-N 1 0 389.905 3.052 10 5 GGBERO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000585808790 567090878 /nfs/dbraw/zinc/09/08/78/567090878.db2.gz SAIKEJLGOZIXPM-LBPRGKRZSA-N 1 0 385.262 3.352 10 5 GGBERO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000585808789 567091441 /nfs/dbraw/zinc/09/14/41/567091441.db2.gz SAIKEJLGOZIXPM-GFCCVEGCSA-N 1 0 385.262 3.352 10 5 GGBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000588061414 567111371 /nfs/dbraw/zinc/11/13/71/567111371.db2.gz QZZSBRMPXCCSAC-KBPBESRZSA-N 1 0 398.301 3.355 10 5 GGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931855 567118379 /nfs/dbraw/zinc/11/83/79/567118379.db2.gz TWIQIIKWXILBNA-VXGBXAGGSA-N 1 0 384.274 3.350 10 5 GGBERO Cc1c(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000455349753 567263684 /nfs/dbraw/zinc/26/36/84/567263684.db2.gz GCLXADQVNBAGIL-AOOOYVTPSA-N 1 0 385.262 3.222 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591303958 567272861 /nfs/dbraw/zinc/27/28/61/567272861.db2.gz ICSUFEWQZFMUJX-TXEJJXNPSA-N 1 0 397.273 3.129 10 5 GGBERO CC[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000591304518 567272933 /nfs/dbraw/zinc/27/29/33/567272933.db2.gz INDZOMQZYBNEFT-CMPLNLGQSA-N 1 0 385.262 3.257 10 5 GGBERO CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000476048660 567293313 /nfs/dbraw/zinc/29/33/13/567293313.db2.gz FLPIMZBYEBAKRP-LSDHHAIUSA-N 1 0 386.315 3.373 10 5 GGBERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1SC ZINC000592168203 567320235 /nfs/dbraw/zinc/32/02/35/567320235.db2.gz VXQHYIPBXFZKSH-MOZUYYIMSA-N 1 0 387.889 3.074 10 5 GGBERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1SC ZINC000592168208 567320313 /nfs/dbraw/zinc/32/03/13/567320313.db2.gz VXQHYIPBXFZKSH-QUAZDUCUSA-N 1 0 387.889 3.074 10 5 GGBERO CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592258922 567326698 /nfs/dbraw/zinc/32/66/98/567326698.db2.gz YCWWVUQYELQDNG-ZDUSSCGKSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325869 567356193 /nfs/dbraw/zinc/35/61/93/567356193.db2.gz BEJSAWXIGLXJKY-WDEREUQCSA-N 1 0 385.262 3.222 10 5 GGBERO Cc1c(NC(=O)N(C)CC[N@H+](C)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326021 567356343 /nfs/dbraw/zinc/35/63/43/567356343.db2.gz BRGAFGYQIWOOHB-UHFFFAOYSA-N 1 0 385.262 3.224 10 5 GGBERO Cc1c(NC(=O)NCC[NH+]2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435328735 567356706 /nfs/dbraw/zinc/35/67/06/567356706.db2.gz MPBGUCGTCTUYPW-UHFFFAOYSA-N 1 0 385.262 3.273 10 5 GGBERO Cc1c(NC(=O)NCC[N@H+]2CC=CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435334123 567357512 /nfs/dbraw/zinc/35/75/12/567357512.db2.gz WQRPQXYIKIFCPX-UHFFFAOYSA-N 1 0 383.246 3.049 10 5 GGBERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000501075282 567362521 /nfs/dbraw/zinc/36/25/21/567362521.db2.gz OYHUPJXCXJQQTG-IAQYHMDHSA-N 1 0 397.273 3.305 10 5 GGBERO CC(C)C[N@H+](C)CCCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593204153 567396871 /nfs/dbraw/zinc/39/68/71/567396871.db2.gz VXOYBOCXMUSNDC-UHFFFAOYSA-N 1 0 378.292 3.127 10 5 GGBERO CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000436342452 567420316 /nfs/dbraw/zinc/42/03/16/567420316.db2.gz IFGKRBFXDWGMSY-OLZOCXBDSA-N 1 0 376.404 3.025 10 5 GGBERO CC[N@@H+]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000619541664 567463871 /nfs/dbraw/zinc/46/38/71/567463871.db2.gz XQERJXSGHQGNSM-JTQLQIEISA-N 1 0 385.262 3.224 10 5 GGBERO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(F)(F)F ZINC000594451362 567476201 /nfs/dbraw/zinc/47/62/01/567476201.db2.gz SILDAZWUHQZZRG-CYBMUJFWSA-N 1 0 377.388 3.249 10 5 GGBERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O ZINC000594974442 567531137 /nfs/dbraw/zinc/53/11/37/567531137.db2.gz KTRGJEQAXLNKNE-STQMWFEESA-N 1 0 380.491 3.379 10 5 GGBERO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935464 567594369 /nfs/dbraw/zinc/59/43/69/567594369.db2.gz DNAGAWKALCVUEY-ZDUSSCGKSA-N 1 0 396.285 3.209 10 5 GGBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935161 567594986 /nfs/dbraw/zinc/59/49/86/567594986.db2.gz AKMUBXLXBWAPCK-ZDUSSCGKSA-N 1 0 396.285 3.209 10 5 GGBERO O=[N+]([O-])c1ccc(-c2ccc(CNCC34CC(C3)C[NH2+]4)o2)c(Br)c1 ZINC000596103378 567609005 /nfs/dbraw/zinc/60/90/05/567609005.db2.gz JXOORDLCUFHPHR-UHFFFAOYSA-N 1 0 392.253 3.459 10 5 GGBERO Cc1c(Br)cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000597668957 567711311 /nfs/dbraw/zinc/71/13/11/567711311.db2.gz ZMXIGIJZLOHVFU-UHFFFAOYSA-N 1 0 396.285 3.224 10 5 GGBERO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859834 567719631 /nfs/dbraw/zinc/71/96/31/567719631.db2.gz YVMODJMGWJOXQS-LBPRGKRZSA-N 1 0 384.274 3.268 10 5 GGBERO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859833 567719791 /nfs/dbraw/zinc/71/97/91/567719791.db2.gz YVMODJMGWJOXQS-GFCCVEGCSA-N 1 0 384.274 3.268 10 5 GGBERO CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598039705 567734033 /nfs/dbraw/zinc/73/40/33/567734033.db2.gz MALCYWKMGVZUKM-GFCCVEGCSA-N 1 0 384.274 3.222 10 5 GGBERO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000598650452 567781517 /nfs/dbraw/zinc/78/15/17/567781517.db2.gz YHGQCAQGWJZKIR-VIFPVBQESA-N 1 0 382.148 3.334 10 5 GGBERO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000598985804 567801702 /nfs/dbraw/zinc/80/17/02/567801702.db2.gz YWCGMKOJRYAPKI-LLVKDONJSA-N 1 0 390.221 3.106 10 5 GGBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599001172 567802582 /nfs/dbraw/zinc/80/25/82/567802582.db2.gz ZFQZCTCCPYXYMK-QOBXEIRBSA-N 1 0 390.221 3.101 10 5 GGBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599001173 567803092 /nfs/dbraw/zinc/80/30/92/567803092.db2.gz ZFQZCTCCPYXYMK-RZGXBDKHSA-N 1 0 390.221 3.101 10 5 GGBERO C[N@H+](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000599173585 567808598 /nfs/dbraw/zinc/80/85/98/567808598.db2.gz DQRIQLPTTRRASI-UHFFFAOYSA-N 1 0 384.274 3.352 10 5 GGBERO CCC[NH+]1CCC(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599229103 567811255 /nfs/dbraw/zinc/81/12/55/567811255.db2.gz QORWJNHGDRSOHZ-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F ZINC000004917624 570365354 /nfs/dbraw/zinc/36/53/54/570365354.db2.gz FWQLOCSZKKZXSM-GFCCVEGCSA-N 1 0 388.399 3.313 10 5 GGBERO Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000007050244 570764796 /nfs/dbraw/zinc/76/47/96/570764796.db2.gz BUDDJYQOGCSQKD-CQSZACIVSA-N 1 0 386.433 3.128 10 5 GGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000106073138 570948028 /nfs/dbraw/zinc/94/80/28/570948028.db2.gz QGDKVZDNIDFJKK-BZUAXINKSA-N 1 0 375.469 3.004 10 5 GGBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106073135 570948210 /nfs/dbraw/zinc/94/82/10/570948210.db2.gz QGDKVZDNIDFJKK-OWCLPIDISA-N 1 0 375.469 3.004 10 5 GGBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000053992534 1406580207 /nfs/dbraw/zinc/58/02/07/1406580207.db2.gz BBYCNARGERWQBQ-UHFFFAOYSA-N 1 0 389.477 3.187 10 5 GGBERO NC(=O)c1ccc(N2CC[NH+](Cc3csc4ccccc34)CC2)c([N+](=O)[O-])c1 ZINC000028620177 1400177767 /nfs/dbraw/zinc/17/77/67/1400177767.db2.gz WWGFWWDFXSOMNE-UHFFFAOYSA-N 1 0 396.472 3.231 10 5 GGBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000094101159 1410304302 /nfs/dbraw/zinc/30/43/02/1410304302.db2.gz DTPJPXADZMXRIX-UHFFFAOYSA-N 1 0 385.464 3.390 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000105591307 1411088320 /nfs/dbraw/zinc/08/83/20/1411088320.db2.gz IBDRLEJJAGAWLK-UHFFFAOYSA-N 1 0 386.427 3.193 10 5 GGBERO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000134785436 1417125784 /nfs/dbraw/zinc/12/57/84/1417125784.db2.gz GEFOHKHMGAPIBT-UHFFFAOYSA-N 1 0 377.828 3.119 10 5 GGBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156469758 1423814241 /nfs/dbraw/zinc/81/42/41/1423814241.db2.gz CCAPPZXHSBOUMH-KEYYUXOJSA-N 1 0 382.424 3.485 10 5 GGBERO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000180607771 1429930239 /nfs/dbraw/zinc/93/02/39/1429930239.db2.gz FIUAPVCNGFOMBO-KXBFYZLASA-N 1 0 380.452 3.275 10 5 GGBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000180828473 1430060988 /nfs/dbraw/zinc/06/09/88/1430060988.db2.gz HOPAFEBCUXQDEI-HNNXBMFYSA-N 1 0 379.420 3.460 10 5 GGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@@+]2(CC)Cc1nnnn1-c1ccccc1 ZINC000249703138 717164774 /nfs/dbraw/zinc/16/47/74/717164774.db2.gz JMHTXMZLIIIBOK-HHHXNRCGSA-N 1 0 391.455 3.430 10 5 GGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)Cc1cc(=O)n2ccccc2n1 ZINC000249705937 717164942 /nfs/dbraw/zinc/16/49/42/717164942.db2.gz NQZIXHWFVFFGNI-SANMLTNESA-N 1 0 391.451 3.462 10 5 GGBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)c1 ZINC000573154821 1126098038 /nfs/dbraw/zinc/09/80/38/1126098038.db2.gz QQGJQKPJTDGGJR-UHFFFAOYSA-N 1 0 381.457 3.338 10 5 GGBERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC001176598232 1126150367 /nfs/dbraw/zinc/15/03/67/1126150367.db2.gz KYKSLQGGLCDHEO-LJQANCHMSA-N 1 0 394.855 3.349 10 5 GGBERO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC001198230863 1126155895 /nfs/dbraw/zinc/15/58/95/1126155895.db2.gz SNFFHSQXFPEJBS-SFHVURJKSA-N 1 0 382.819 3.479 10 5 GGBERO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1c2ccccc2C[C@@H]1[NH+]1CCCC1 ZINC000000607401 212164141 /nfs/dbraw/zinc/16/41/41/212164141.db2.gz ZSDAQBWGAOKTSI-UNMCSNQZSA-N 1 0 379.460 3.358 10 5 in-man GGBERO Cc1ccc(NC(=O)[C@H]([NH2+]CCCn2ccnc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012629357 221215349 /nfs/dbraw/zinc/21/53/49/221215349.db2.gz FJXYACKOJLQMNP-HXUWFJFHSA-N 1 0 393.447 3.459 10 5 GGBERO COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069896144 222175308 /nfs/dbraw/zinc/17/53/08/222175308.db2.gz FHQOLJBNEBRVLK-FQEVSTJZSA-N 1 0 389.496 3.224 10 5 GGBERO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000028920321 564366179 /nfs/dbraw/zinc/36/61/79/564366179.db2.gz WZJHLWJNNWZLBQ-BLLLJJGKSA-N 1 0 395.253 3.448 10 5 GGBERO CC[NH+]1CCC(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000122273113 564407135 /nfs/dbraw/zinc/40/71/35/564407135.db2.gz XZUPWMANSNYFQO-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000122433254 564413903 /nfs/dbraw/zinc/41/39/03/564413903.db2.gz QWSQYNYQIQJEGM-ABAIWWIYSA-N 1 0 384.274 3.160 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000130719658 564690847 /nfs/dbraw/zinc/69/08/47/564690847.db2.gz RUEDNIHNENQTMO-ABAIWWIYSA-N 1 0 384.274 3.160 10 5 GGBERO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000068913628 564829503 /nfs/dbraw/zinc/82/95/03/564829503.db2.gz ZWMNOIHTPYKUQQ-LBPRGKRZSA-N 1 0 383.495 3.064 10 5 GGBERO C[C@@H]1C[N@@H+](CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000072301802 564861763 /nfs/dbraw/zinc/86/17/63/564861763.db2.gz CHPXJMWTGHSSDU-PHIMTYICSA-N 1 0 390.253 3.408 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000151574869 564927562 /nfs/dbraw/zinc/92/75/62/564927562.db2.gz NWADBXUCILMBJP-IAQYHMDHSA-N 1 0 398.301 3.468 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000151796344 564936661 /nfs/dbraw/zinc/93/66/61/564936661.db2.gz SXVGCUSSFAVWQF-AWEZNQCLSA-N 1 0 396.285 3.448 10 5 GGBERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000155151798 565062916 /nfs/dbraw/zinc/06/29/16/565062916.db2.gz JNICKONXEOWOJQ-CMPLNLGQSA-N 1 0 385.262 3.304 10 5 GGBERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000155151696 565062991 /nfs/dbraw/zinc/06/29/91/565062991.db2.gz JNICKONXEOWOJQ-ZYHUDNBSSA-N 1 0 385.262 3.304 10 5 GGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183880324 565099916 /nfs/dbraw/zinc/09/99/16/565099916.db2.gz ROCMYBWBPPUOIJ-INIZCTEOSA-N 1 0 381.226 3.059 10 5 GGBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000183880312 565099972 /nfs/dbraw/zinc/09/99/72/565099972.db2.gz ROCMYBWBPPUOIJ-MRXNPFEDSA-N 1 0 381.226 3.059 10 5 GGBERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000185434090 565201523 /nfs/dbraw/zinc/20/15/23/565201523.db2.gz XNZJJBHSIDKUAS-GFCCVEGCSA-N 1 0 384.274 3.352 10 5 GGBERO Cc1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)cc1[N+](=O)[O-] ZINC000296960580 565347284 /nfs/dbraw/zinc/34/72/84/565347284.db2.gz CTLIKIDPVJSEQL-YHWZYXNKSA-N 1 0 397.273 3.412 10 5 GGBERO CCn1ccnc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000297131329 565357645 /nfs/dbraw/zinc/35/76/45/565357645.db2.gz OHWXIXOJRJDFDT-UHFFFAOYSA-N 1 0 382.218 3.204 10 5 GGBERO Cc1c(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000297242587 565362893 /nfs/dbraw/zinc/36/28/93/565362893.db2.gz WNXDHLRSQVEWNC-MRXNPFEDSA-N 1 0 397.273 3.225 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000375520500 565393150 /nfs/dbraw/zinc/39/31/50/565393150.db2.gz APXBLGMXTMKANI-CYBMUJFWSA-N 1 0 383.246 3.059 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000375566037 565395852 /nfs/dbraw/zinc/39/58/52/565395852.db2.gz QJNMFBXSCQZCRG-LBPRGKRZSA-N 1 0 397.273 3.307 10 5 GGBERO O=[N+]([O-])c1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(Cl)c1 ZINC000301282975 565476929 /nfs/dbraw/zinc/47/69/29/565476929.db2.gz PHEHAVPOJNQQKZ-SECBINFHSA-N 1 0 380.861 3.188 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000278022480 565534499 /nfs/dbraw/zinc/53/44/99/565534499.db2.gz QCZDRORORZDXAN-VHSXEESVSA-N 1 0 390.303 3.221 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000278022472 565534532 /nfs/dbraw/zinc/53/45/32/565534532.db2.gz QCZDRORORZDXAN-UWVGGRQHSA-N 1 0 390.303 3.221 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000408123927 565595428 /nfs/dbraw/zinc/59/54/28/565595428.db2.gz KZNLBMVQIRBDHY-GFCCVEGCSA-N 1 0 377.242 3.190 10 5 GGBERO C[N@@H+]1CC[C@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC000408145841 565596634 /nfs/dbraw/zinc/59/66/34/565596634.db2.gz LBCALODKAYKEDE-ZBEGNZNMSA-N 1 0 391.269 3.436 10 5 GGBERO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000331195408 565746161 /nfs/dbraw/zinc/74/61/61/565746161.db2.gz TYKPHVWDJXYACV-UHFFFAOYSA-N 1 0 396.285 3.305 10 5 GGBERO CCC[NH+]1CCC(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177066890 565826229 /nfs/dbraw/zinc/82/62/29/565826229.db2.gz OCMGEHDGCOGEDC-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123524 565888613 /nfs/dbraw/zinc/88/86/13/565888613.db2.gz LDCXPDZBCYGBCG-BMIGLBTASA-N 1 0 380.242 3.324 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245512646 565992855 /nfs/dbraw/zinc/99/28/55/565992855.db2.gz NWADBXUCILMBJP-XHDPSFHLSA-N 1 0 398.301 3.468 10 5 GGBERO Cc1c(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415651930 566010674 /nfs/dbraw/zinc/01/06/74/566010674.db2.gz GYNDMQJRLXJXHW-MFKMUULPSA-N 1 0 385.262 3.399 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@H](CC[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415654318 566011248 /nfs/dbraw/zinc/01/12/48/566011248.db2.gz JBOMSAWBLWBSME-LLVKDONJSA-N 1 0 385.262 3.258 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415658299 566011808 /nfs/dbraw/zinc/01/18/08/566011808.db2.gz NMKWZNCISUMYBR-OTYXRUKQSA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656267 566011884 /nfs/dbraw/zinc/01/18/84/566011884.db2.gz LDHHYOBEEQYAAX-GMXVVIOVSA-N 1 0 397.273 3.175 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415658609 566011915 /nfs/dbraw/zinc/01/19/15/566011915.db2.gz NMKWZNCISUMYBR-XPTSAGLGSA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415658611 566012017 /nfs/dbraw/zinc/01/20/17/566012017.db2.gz NMKWZNCISUMYBR-YMTOWFKASA-N 1 0 385.262 3.257 10 5 GGBERO C[NH2+]CC1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000415664080 566012236 /nfs/dbraw/zinc/01/22/36/566012236.db2.gz SWXLKBRQIKMLQK-UHFFFAOYSA-N 1 0 385.262 3.129 10 5 GGBERO CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415699414 566012980 /nfs/dbraw/zinc/01/29/80/566012980.db2.gz IPOJUHMXMLDTAY-UHFFFAOYSA-N 1 0 385.262 3.353 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415703587 566013181 /nfs/dbraw/zinc/01/31/81/566013181.db2.gz QUTNUMIGJRUCGU-LBPRGKRZSA-N 1 0 397.273 3.211 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246012507 566013747 /nfs/dbraw/zinc/01/37/47/566013747.db2.gz RUEDNIHNENQTMO-XHDPSFHLSA-N 1 0 384.274 3.160 10 5 GGBERO C[NH2+]C[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261813145 566136471 /nfs/dbraw/zinc/13/64/71/566136471.db2.gz VXTHFDKXMDOBQT-NSHDSACASA-N 1 0 379.258 3.341 10 5 GGBERO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000366775079 566168608 /nfs/dbraw/zinc/16/86/08/566168608.db2.gz RCSGEFSKZUPOLA-CYBMUJFWSA-N 1 0 397.273 3.368 10 5 GGBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000182176377 566188282 /nfs/dbraw/zinc/18/82/82/566188282.db2.gz ZFXCSVSNFUHWIX-STQMWFEESA-N 1 0 395.253 3.448 10 5 GGBERO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000182658975 566217432 /nfs/dbraw/zinc/21/74/32/566217432.db2.gz QTWCMMZVEOROIS-UHFFFAOYSA-N 1 0 396.285 3.305 10 5 GGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599384139 566260314 /nfs/dbraw/zinc/26/03/14/566260314.db2.gz IQDJCXOFMRYKLI-VXGBXAGGSA-N 1 0 384.274 3.350 10 5 GGBERO O=[N+]([O-])c1cc(Br)ccc1CN1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544750 566273609 /nfs/dbraw/zinc/27/36/09/566273609.db2.gz KFFFEXPCLBYYEN-OAHLLOKOSA-N 1 0 399.285 3.111 10 5 GGBERO O=[N+]([O-])c1ccccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573646 566275366 /nfs/dbraw/zinc/27/53/66/566275366.db2.gz SWJJXTUSXLIFDW-SFHVURJKSA-N 1 0 391.265 3.367 10 5 GGBERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462313930 566281912 /nfs/dbraw/zinc/28/19/12/566281912.db2.gz MGKNDKWIRHYZNA-GXSJLCMTSA-N 1 0 396.296 3.005 10 5 GGBERO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000509638145 566322470 /nfs/dbraw/zinc/32/24/70/566322470.db2.gz IRZCDJWLEFHPNK-NSHDSACASA-N 1 0 384.274 3.270 10 5 GGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446049740 566325489 /nfs/dbraw/zinc/32/54/89/566325489.db2.gz CHHCLTGQDRXKOE-STQMWFEESA-N 1 0 398.301 3.279 10 5 GGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600230128 566326382 /nfs/dbraw/zinc/32/63/82/566326382.db2.gz ZWTVXZATDYDYDZ-CQSZACIVSA-N 1 0 396.285 3.494 10 5 GGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600473129 566339758 /nfs/dbraw/zinc/33/97/58/566339758.db2.gz RHNZONHOAQZUPN-AWEZNQCLSA-N 1 0 382.258 3.104 10 5 GGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600470336 566340342 /nfs/dbraw/zinc/34/03/42/566340342.db2.gz NBAZSQXCNXWROT-GFCCVEGCSA-N 1 0 382.258 3.104 10 5 GGBERO CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000446421730 566349363 /nfs/dbraw/zinc/34/93/63/566349363.db2.gz YVWQYLGRPSGKIE-CABCVRRESA-N 1 0 383.901 3.208 10 5 GGBERO CC(C)[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000462872405 566362262 /nfs/dbraw/zinc/36/22/62/566362262.db2.gz FIAMFPMFHWITTP-ZDUSSCGKSA-N 1 0 390.221 3.199 10 5 GGBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000600760468 566363910 /nfs/dbraw/zinc/36/39/10/566363910.db2.gz UNHMWUOPCFPZQU-GFCCVEGCSA-N 1 0 376.356 3.205 10 5 GGBERO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000601149326 566393317 /nfs/dbraw/zinc/39/33/17/566393317.db2.gz LEZASFNLNFALGQ-QGZVFWFLSA-N 1 0 395.253 3.363 10 5 GGBERO CC[N@H+](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CCC(F)(F)F ZINC000601155685 566393894 /nfs/dbraw/zinc/39/38/94/566393894.db2.gz LHHOAJJODLCSIU-UHFFFAOYSA-N 1 0 377.289 3.033 10 5 GGBERO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000601174602 566395500 /nfs/dbraw/zinc/39/55/00/566395500.db2.gz XKLDFIPEVCDNAN-ZDUSSCGKSA-N 1 0 398.204 3.021 10 5 GGBERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000601791119 566425328 /nfs/dbraw/zinc/42/53/28/566425328.db2.gz GWRHLSYDIBZLPJ-UHFFFAOYSA-N 1 0 384.274 3.304 10 5 GGBERO COc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511587931 566473909 /nfs/dbraw/zinc/47/39/09/566473909.db2.gz MRWLQUOIDAKVNM-QGZVFWFLSA-N 1 0 395.253 3.363 10 5 GGBERO C[C@@](CO)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000511608028 566474851 /nfs/dbraw/zinc/47/48/51/566474851.db2.gz ZJROAYRWPOPQIU-KRWDZBQOSA-N 1 0 395.253 3.233 10 5 GGBERO C[C@@](CO)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000511608153 566475625 /nfs/dbraw/zinc/47/56/25/566475625.db2.gz ZTAVCAPPTOYKFV-KRWDZBQOSA-N 1 0 395.253 3.233 10 5 GGBERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485433662 566496574 /nfs/dbraw/zinc/49/65/74/566496574.db2.gz RCXSBPBDLKZBEK-XHDPSFHLSA-N 1 0 397.273 3.448 10 5 GGBERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485433659 566497425 /nfs/dbraw/zinc/49/74/25/566497425.db2.gz RCXSBPBDLKZBEK-ABAIWWIYSA-N 1 0 397.273 3.448 10 5 GGBERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485451750 566498049 /nfs/dbraw/zinc/49/80/49/566498049.db2.gz NAXVRNQBULHYPF-IAQYHMDHSA-N 1 0 397.273 3.448 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423980776 566500515 /nfs/dbraw/zinc/50/05/15/566500515.db2.gz SKTMXCSJNWCBAJ-JSGCOSHPSA-N 1 0 383.901 3.331 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423980774 566500995 /nfs/dbraw/zinc/50/09/95/566500995.db2.gz SKTMXCSJNWCBAJ-GXTWGEPZSA-N 1 0 383.901 3.331 10 5 GGBERO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512539017 566541592 /nfs/dbraw/zinc/54/15/92/566541592.db2.gz NYIRUFHUUOABGE-CQSZACIVSA-N 1 0 383.495 3.018 10 5 GGBERO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1(S(C)(=O)=O)CC1 ZINC000512894568 566567267 /nfs/dbraw/zinc/56/72/67/566567267.db2.gz KWCJDKGZMZGUHV-LBPRGKRZSA-N 1 0 380.491 3.379 10 5 GGBERO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000559916967 566576939 /nfs/dbraw/zinc/57/69/39/566576939.db2.gz OFNZYWDPPAINRN-NWDGAFQWSA-N 1 0 380.242 3.258 10 5 GGBERO COc1cc(Br)ccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000580128621 566666797 /nfs/dbraw/zinc/66/67/97/566666797.db2.gz OPJSYMCRNYBYJN-UHFFFAOYSA-N 1 0 380.242 3.331 10 5 GGBERO Cc1c(Br)c(NCc2ccc(F)c(C[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC000541579409 566736162 /nfs/dbraw/zinc/73/61/62/566736162.db2.gz UEYJFQBAUYFRFH-UHFFFAOYSA-N 1 0 397.248 3.295 10 5 GGBERO CC(C)C[C@H](CO)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581853014 566808999 /nfs/dbraw/zinc/80/89/99/566808999.db2.gz HIFHHSCOJYURAF-CQSZACIVSA-N 1 0 392.237 3.038 10 5 GGBERO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000543598919 566893524 /nfs/dbraw/zinc/89/35/24/566893524.db2.gz MNRONIUPODVSPY-LBPRGKRZSA-N 1 0 380.491 3.270 10 5 GGBERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494653916 567015410 /nfs/dbraw/zinc/01/54/10/567015410.db2.gz VYFMBNATJFPZHE-HZMBPMFUSA-N 1 0 383.857 3.268 10 5 GGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431033699 567048379 /nfs/dbraw/zinc/04/83/79/567048379.db2.gz RDUWJKBWWBOFAM-RYUDHWBXSA-N 1 0 384.274 3.350 10 5 GGBERO Cc1c(Cl)cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522558164 567120545 /nfs/dbraw/zinc/12/05/45/567120545.db2.gz YEGOMHVDDXRISE-OAHLLOKOSA-N 1 0 391.921 3.201 10 5 GGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3COCCOC3)o2)c(Br)c1 ZINC000589938012 567199026 /nfs/dbraw/zinc/19/90/26/567199026.db2.gz APCMYDYSEGHBMM-UHFFFAOYSA-N 1 0 397.225 3.122 10 5 GGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CS(=O)(=O)C3)o2)c(Cl)c1 ZINC000615728218 567201258 /nfs/dbraw/zinc/20/12/58/567201258.db2.gz ZTIZJQLNFBHFBF-UHFFFAOYSA-N 1 0 384.841 3.033 10 5 GGBERO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000615761582 567204158 /nfs/dbraw/zinc/20/41/58/567204158.db2.gz KBDJJJNCGODHLW-LBPRGKRZSA-N 1 0 380.491 3.409 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537411 567345874 /nfs/dbraw/zinc/34/58/74/567345874.db2.gz APBVQEHNJFNCJC-JSGCOSHPSA-N 1 0 383.901 3.331 10 5 GGBERO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327366 567356025 /nfs/dbraw/zinc/35/60/25/567356025.db2.gz GWPHLKYZQGIWPA-HNNXBMFYSA-N 1 0 399.289 3.470 10 5 GGBERO CCN(CCC[NH+](C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000435323871 567356053 /nfs/dbraw/zinc/35/60/53/567356053.db2.gz QCACQUYRKYCSBX-UHFFFAOYSA-N 1 0 387.278 3.471 10 5 GGBERO Cc1c(NC(=O)N(C)CC[NH+]2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435328802 567356323 /nfs/dbraw/zinc/35/63/23/567356323.db2.gz MZRDSFRSRALRPC-UHFFFAOYSA-N 1 0 385.262 3.225 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325164 567356388 /nfs/dbraw/zinc/35/63/88/567356388.db2.gz YUGXMUJICMSWRB-TZMCWYRMSA-N 1 0 397.273 3.414 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330459 567356477 /nfs/dbraw/zinc/35/64/77/567356477.db2.gz SWEYEVKAKMLVNC-SKDRFNHKSA-N 1 0 385.262 3.270 10 5 GGBERO Cc1c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325868 567356572 /nfs/dbraw/zinc/35/65/72/567356572.db2.gz BEJSAWXIGLXJKY-QWRGUYRKSA-N 1 0 385.262 3.222 10 5 GGBERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000501075281 567362721 /nfs/dbraw/zinc/36/27/21/567362721.db2.gz OYHUPJXCXJQQTG-ABAIWWIYSA-N 1 0 397.273 3.305 10 5 GGBERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000501075284 567362759 /nfs/dbraw/zinc/36/27/59/567362759.db2.gz OYHUPJXCXJQQTG-XHDPSFHLSA-N 1 0 397.273 3.305 10 5 GGBERO C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000501121926 567367637 /nfs/dbraw/zinc/36/76/37/567367637.db2.gz ZKEPURQTPIWYRI-SNVBAGLBSA-N 1 0 383.246 3.129 10 5 GGBERO CC[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000593021930 567377698 /nfs/dbraw/zinc/37/76/98/567377698.db2.gz ZONAJDQFHBKRIV-INIZCTEOSA-N 1 0 383.857 3.137 10 5 GGBERO CC[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000593021942 567379871 /nfs/dbraw/zinc/37/98/71/567379871.db2.gz ZONAJDQFHBKRIV-MRXNPFEDSA-N 1 0 383.857 3.137 10 5 GGBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000593039489 567381127 /nfs/dbraw/zinc/38/11/27/567381127.db2.gz LWCYXBDTTKIOEH-UHFFFAOYSA-N 1 0 392.253 3.188 10 5 GGBERO CN(CC[NH+]1CCCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000593204933 567396603 /nfs/dbraw/zinc/39/66/03/567396603.db2.gz PMMDOXDTMWDUJX-UHFFFAOYSA-N 1 0 385.262 3.307 10 5 GGBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000456679603 567401699 /nfs/dbraw/zinc/40/16/99/567401699.db2.gz BXLBZSZEQJDMKB-UHFFFAOYSA-N 1 0 396.285 3.033 10 5 GGBERO Cc1c(Br)cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000456681178 567401889 /nfs/dbraw/zinc/40/18/89/567401889.db2.gz GPXVUMGHGSDEPG-UHFFFAOYSA-N 1 0 396.285 3.412 10 5 GGBERO CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000436342453 567420231 /nfs/dbraw/zinc/42/02/31/567420231.db2.gz IFGKRBFXDWGMSY-QWHCGFSZSA-N 1 0 376.404 3.025 10 5 GGBERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000594983643 567532620 /nfs/dbraw/zinc/53/26/20/567532620.db2.gz HGWORLXPWRFNSX-YGRLFVJLSA-N 1 0 390.221 3.247 10 5 GGBERO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594996609 567532937 /nfs/dbraw/zinc/53/29/37/567532937.db2.gz TYZKSGSIYVZHDG-LLVKDONJSA-N 1 0 390.221 3.104 10 5 GGBERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551879696 567541047 /nfs/dbraw/zinc/54/10/47/567541047.db2.gz FSOXHUDIPZYDLD-NSHDSACASA-N 1 0 385.262 3.209 10 5 GGBERO Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596566018 567640276 /nfs/dbraw/zinc/64/02/76/567640276.db2.gz JYPALMMQLGZQMA-ZDUSSCGKSA-N 1 0 386.290 3.213 10 5 GGBERO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596900674 567663695 /nfs/dbraw/zinc/66/36/95/567663695.db2.gz TUHYWHJKYPDNKV-CYBMUJFWSA-N 1 0 385.262 3.305 10 5 GGBERO C[NH+](C)[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000597094167 567680602 /nfs/dbraw/zinc/68/06/02/567680602.db2.gz MMLQPLNAVNPSMV-ZDUSSCGKSA-N 1 0 383.861 3.316 10 5 GGBERO C[NH+](C)[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000597094165 567680973 /nfs/dbraw/zinc/68/09/73/567680973.db2.gz MMLQPLNAVNPSMV-CYBMUJFWSA-N 1 0 383.861 3.316 10 5 GGBERO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000598994218 567801733 /nfs/dbraw/zinc/80/17/33/567801733.db2.gz ZDECDKOUGCBXOT-MRXNPFEDSA-N 1 0 397.294 3.428 10 5 GGBERO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000598994217 567802122 /nfs/dbraw/zinc/80/21/22/567802122.db2.gz ZDECDKOUGCBXOT-INIZCTEOSA-N 1 0 397.294 3.428 10 5 GGBERO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000053992014 1406579764 /nfs/dbraw/zinc/57/97/64/1406579764.db2.gz DLRFMWLFXYRAOK-UHFFFAOYSA-N 1 0 398.463 3.040 10 5 GGBERO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004134250 1398381639 /nfs/dbraw/zinc/38/16/39/1398381639.db2.gz DLUCNRNARKOVGN-UHFFFAOYSA-N 1 0 389.500 3.057 10 5 GGBERO CC[NH+](CC)CCNC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000020643540 1399351626 /nfs/dbraw/zinc/35/16/26/1399351626.db2.gz QNSLOURRQZCTSB-UHFFFAOYSA-N 1 0 393.516 3.396 10 5 GGBERO CS(=O)(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070038739 1409743330 /nfs/dbraw/zinc/74/33/30/1409743330.db2.gz IFOWAKUWTVKBLH-IBGZPJMESA-N 1 0 395.525 3.011 10 5 GGBERO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000121183211 1414036558 /nfs/dbraw/zinc/03/65/58/1414036558.db2.gz BTMTYWPVIGAFSL-INIZCTEOSA-N 1 0 393.447 3.351 10 5 GGBERO Cc1c(NC(=O)CCN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cccc1[N+](=O)[O-] ZINC000177925110 1428893259 /nfs/dbraw/zinc/89/32/59/1428893259.db2.gz GGWZNQMMNBIYFH-QKLQHJQFSA-N 1 0 386.496 3.038 10 5 GGBERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000132809748 1416817806 /nfs/dbraw/zinc/81/78/06/1416817806.db2.gz ATOQGURLULTKKM-QGZVFWFLSA-N 1 0 378.432 3.138 10 5 GGBERO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000230288674 1433372657 /nfs/dbraw/zinc/37/26/57/1433372657.db2.gz NBHREHWMXWYGLG-HOTGVXAUSA-N 1 0 378.473 3.072 10 5 GGBERO O=[N+]([O-])c1ccc(Cc2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)nc1 ZINC000273857813 1435022255 /nfs/dbraw/zinc/02/22/55/1435022255.db2.gz GRALNBFXMYQBNO-UHFFFAOYSA-N 1 0 379.420 3.343 10 5 GGBERO O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 ZINC000003178020 717095120 /nfs/dbraw/zinc/09/51/20/717095120.db2.gz ZGHNSRAKMOUHFI-NHCUHLMSSA-N 1 0 384.496 3.015 10 5 GGBERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC001176598231 1126150285 /nfs/dbraw/zinc/15/02/85/1126150285.db2.gz KYKSLQGGLCDHEO-IBGZPJMESA-N 1 0 394.855 3.349 10 5 GGBERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001460872240 1126193217 /nfs/dbraw/zinc/19/32/17/1126193217.db2.gz UVSKRRYVRXVRAH-KRWDZBQOSA-N 1 0 379.254 3.441 10 5 GGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001473840353 1126200886 /nfs/dbraw/zinc/20/08/86/1126200886.db2.gz WACQGPCZLFMTTO-LJQANCHMSA-N 1 0 392.839 3.118 10 5 GGBERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001644308730 1126247222 /nfs/dbraw/zinc/24/72/22/1126247222.db2.gz NDMKVXVGOZKHHG-OAQYLSRUSA-N 1 0 388.464 3.474 10 5 GGBERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC001648469144 1126250701 /nfs/dbraw/zinc/25/07/01/1126250701.db2.gz COKRQRXFNBGGOM-LJQANCHMSA-N 1 0 394.855 3.349 10 5 GGBERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC001648469143 1126250810 /nfs/dbraw/zinc/25/08/10/1126250810.db2.gz COKRQRXFNBGGOM-IBGZPJMESA-N 1 0 394.855 3.349 10 5 GGBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005524665 204137726 /nfs/dbraw/zinc/13/77/26/204137726.db2.gz YLRZWWHPSAQKQT-AEFFLSMTSA-N 1 0 396.403 3.260 10 5 GGBERO C[C@H]1CCC[N@H+](CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000036393212 205016483 /nfs/dbraw/zinc/01/64/83/205016483.db2.gz KBEAVDUKWIOJGQ-ZDUSSCGKSA-N 1 0 389.905 3.039 10 5 GGBERO CCc1cc(N[C@@H](CO)CC[NH+](CC)CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000225535891 206055051 /nfs/dbraw/zinc/05/50/51/206055051.db2.gz OFSWBDQBBJUCTQ-QGZVFWFLSA-N 1 0 387.484 3.119 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)C1 ZINC000122526780 564417439 /nfs/dbraw/zinc/41/74/39/564417439.db2.gz KNIHQFGAVQCPMO-ABAIWWIYSA-N 1 0 384.274 3.160 10 5 GGBERO C[C@@H]1C[NH+](CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000072301804 564861907 /nfs/dbraw/zinc/86/19/07/564861907.db2.gz CHPXJMWTGHSSDU-GHMZBOCLSA-N 1 0 390.253 3.408 10 5 GGBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000153702998 565007499 /nfs/dbraw/zinc/00/74/99/565007499.db2.gz OIAYPCPYCOGEQW-OAHLLOKOSA-N 1 0 396.285 3.448 10 5 GGBERO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000155194795 565063809 /nfs/dbraw/zinc/06/38/09/565063809.db2.gz FMGGVMBURSEQOQ-UHFFFAOYSA-N 1 0 397.273 3.449 10 5 GGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183887036 565101063 /nfs/dbraw/zinc/10/10/63/565101063.db2.gz ZTZGZNAMYMAMKS-INIZCTEOSA-N 1 0 381.226 3.059 10 5 GGBERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000185434067 565201387 /nfs/dbraw/zinc/20/13/87/565201387.db2.gz XNZJJBHSIDKUAS-LBPRGKRZSA-N 1 0 384.274 3.352 10 5 GGBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000272557989 565290175 /nfs/dbraw/zinc/29/01/75/565290175.db2.gz VEHRLERYMQJLGY-UHFFFAOYSA-N 1 0 389.905 3.050 10 5 GGBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000162147301 565306447 /nfs/dbraw/zinc/30/64/47/565306447.db2.gz FSOJLKCFWRJLHZ-UHFFFAOYSA-N 1 0 396.285 3.305 10 5 GGBERO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000375548325 565394441 /nfs/dbraw/zinc/39/44/41/565394441.db2.gz IAHSVRFILVAREH-CYBMUJFWSA-N 1 0 385.262 3.305 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]cn2)CC1 ZINC000375560866 565395807 /nfs/dbraw/zinc/39/58/07/565395807.db2.gz OBBKVMZZAKBRSR-UHFFFAOYSA-N 1 0 394.229 3.492 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000376595491 565444596 /nfs/dbraw/zinc/44/45/96/565444596.db2.gz NZRCXUVUQHVCRM-UHFFFAOYSA-N 1 0 383.901 3.473 10 5 GGBERO Cc1sc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000303433127 565570118 /nfs/dbraw/zinc/57/01/18/565570118.db2.gz FJHMWOSEVWTGLA-UHFFFAOYSA-N 1 0 383.539 3.446 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280733987 565692103 /nfs/dbraw/zinc/69/21/03/565692103.db2.gz KSSWJWDGMGOHEQ-ZDUSSCGKSA-N 1 0 395.257 3.144 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H](C)C1 ZINC000330477746 565708990 /nfs/dbraw/zinc/70/89/90/565708990.db2.gz WRSHROYMVCHSJU-MEDUHNTESA-N 1 0 398.301 3.468 10 5 GGBERO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000413225408 565840876 /nfs/dbraw/zinc/84/08/76/565840876.db2.gz GQTTTYXVLJXHFF-OLZOCXBDSA-N 1 0 376.404 3.025 10 5 GGBERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123537 565889035 /nfs/dbraw/zinc/88/90/35/565889035.db2.gz LDCXPDZBCYGBCG-ZUZCIYMTSA-N 1 0 380.242 3.324 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650042 566011542 /nfs/dbraw/zinc/01/15/42/566011542.db2.gz DYLOIKNZSOWXGF-JQWIXIFHSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1c(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000415666337 566011859 /nfs/dbraw/zinc/01/18/59/566011859.db2.gz WPOJTFFJKULEJF-CYBMUJFWSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1c(NC(=O)NCCC2=CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415668384 566011899 /nfs/dbraw/zinc/01/18/99/566011899.db2.gz ZOTIGJRVBCEZMD-UHFFFAOYSA-N 1 0 383.246 3.097 10 5 GGBERO C[NH2+]CCC1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415699566 566012857 /nfs/dbraw/zinc/01/28/57/566012857.db2.gz JKYUHWDFGVJJSZ-UHFFFAOYSA-N 1 0 385.262 3.211 10 5 GGBERO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415689741 566012950 /nfs/dbraw/zinc/01/29/50/566012950.db2.gz DAQPWRDNUPPIND-XYPYZODXSA-N 1 0 385.262 3.244 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000247459490 566061780 /nfs/dbraw/zinc/06/17/80/566061780.db2.gz QWSQYNYQIQJEGM-NHYWBVRUSA-N 1 0 384.274 3.160 10 5 GGBERO [NH3+]CC[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261643569 566127634 /nfs/dbraw/zinc/12/76/34/566127634.db2.gz DPBAPEUBTHOHQH-LLVKDONJSA-N 1 0 379.258 3.471 10 5 GGBERO C[C@@H]([NH3+])[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261754672 566133301 /nfs/dbraw/zinc/13/33/01/566133301.db2.gz PIADKZZKKFMFMN-MNOVXSKESA-N 1 0 379.258 3.469 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261867915 566138868 /nfs/dbraw/zinc/13/88/68/566138868.db2.gz LAGOBVAPYULWFK-MFKMUULPSA-N 1 0 377.242 3.094 10 5 GGBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000182176537 566188150 /nfs/dbraw/zinc/18/81/50/566188150.db2.gz ZFXCSVSNFUHWIX-CHWSQXEVSA-N 1 0 395.253 3.448 10 5 GGBERO O=[N+]([O-])c1cc(Br)ccc1CN1CC2(CCOCC2)CC[C@H]1CO ZINC000599544749 566274276 /nfs/dbraw/zinc/27/42/76/566274276.db2.gz KFFFEXPCLBYYEN-HNNXBMFYSA-N 1 0 399.285 3.111 10 5 GGBERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651978 566283808 /nfs/dbraw/zinc/28/38/08/566283808.db2.gz JYLVZUWWTBKSMW-TZMCWYRMSA-N 1 0 379.258 3.432 10 5 GGBERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653885 566284047 /nfs/dbraw/zinc/28/40/47/566284047.db2.gz WNTSHHJJEYHNSR-TZMCWYRMSA-N 1 0 379.258 3.432 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600467638 566340508 /nfs/dbraw/zinc/34/05/08/566340508.db2.gz ATRMXJFXYDZZBB-ZDUSSCGKSA-N 1 0 396.285 3.412 10 5 GGBERO CN(CCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc[nH+]cc1 ZINC000576419565 566343598 /nfs/dbraw/zinc/34/35/98/566343598.db2.gz PJUBTPDXSQUXRD-UHFFFAOYSA-N 1 0 379.214 3.217 10 5 GGBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000600761345 566363671 /nfs/dbraw/zinc/36/36/71/566363671.db2.gz YAJUVCOQXCQGTA-LLVKDONJSA-N 1 0 376.356 3.205 10 5 GGBERO CC[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000421396258 566370745 /nfs/dbraw/zinc/37/07/45/566370745.db2.gz ZBZJFIPSDMZZAD-JSGCOSHPSA-N 1 0 390.221 3.247 10 5 GGBERO CC[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000421396259 566371818 /nfs/dbraw/zinc/37/18/18/566371818.db2.gz ZBZJFIPSDMZZAD-OCCSQVGLSA-N 1 0 390.221 3.247 10 5 GGBERO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423943820 566496649 /nfs/dbraw/zinc/49/66/49/566496649.db2.gz GOYVMYPOXLYGCM-UHFFFAOYSA-N 1 0 378.479 3.249 10 5 GGBERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485433660 566497200 /nfs/dbraw/zinc/49/72/00/566497200.db2.gz RCXSBPBDLKZBEK-IAQYHMDHSA-N 1 0 397.273 3.448 10 5 GGBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000539059295 566555778 /nfs/dbraw/zinc/55/57/78/566555778.db2.gz BDXBNBVMMQPINJ-OAHLLOKOSA-N 1 0 386.539 3.270 10 5 GGBERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559916969 566576802 /nfs/dbraw/zinc/57/68/02/566576802.db2.gz OFNZYWDPPAINRN-VXGBXAGGSA-N 1 0 380.242 3.258 10 5 GGBERO C[NH+](C)CC1CCC(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000486356616 566581388 /nfs/dbraw/zinc/58/13/88/566581388.db2.gz JKDPYVNGEIBAHM-UHFFFAOYSA-N 1 0 390.303 3.269 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134823 566810713 /nfs/dbraw/zinc/81/07/13/566810713.db2.gz AUIBGBFZGMAUOR-YPMHNXCESA-N 1 0 389.905 3.050 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000583644869 566969840 /nfs/dbraw/zinc/96/98/40/566969840.db2.gz XPAYOCIHCLICOX-LBPRGKRZSA-N 1 0 386.290 3.372 10 5 GGBERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494653918 567015336 /nfs/dbraw/zinc/01/53/36/567015336.db2.gz VYFMBNATJFPZHE-IINYFYTJSA-N 1 0 383.857 3.268 10 5 GGBERO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494653919 567015430 /nfs/dbraw/zinc/01/54/30/567015430.db2.gz VYFMBNATJFPZHE-QMTHXVAHSA-N 1 0 383.857 3.268 10 5 GGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431033701 567048773 /nfs/dbraw/zinc/04/87/73/567048773.db2.gz RDUWJKBWWBOFAM-VXGBXAGGSA-N 1 0 384.274 3.350 10 5 GGBERO Cc1c(NC(=O)C2CC[NH+](C3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000431259491 567070416 /nfs/dbraw/zinc/07/04/16/567070416.db2.gz PAIHYQOSLOUUOU-UHFFFAOYSA-N 1 0 382.258 3.479 10 5 GGBERO C[N@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000433025201 567217586 /nfs/dbraw/zinc/21/75/86/567217586.db2.gz IUGQDKQNSQFGBH-UHFFFAOYSA-N 1 0 384.274 3.352 10 5 GGBERO C[NH+]1CCC2(CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000590548190 567232243 /nfs/dbraw/zinc/23/22/43/567232243.db2.gz UPYQBRQHKIFENR-UHFFFAOYSA-N 1 0 383.901 3.285 10 5 GGBERO Cc1c(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000591304792 567273048 /nfs/dbraw/zinc/27/30/48/567273048.db2.gz PCMMNTVDHVCLOC-TXEJJXNPSA-N 1 0 383.246 3.024 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000591303931 567273241 /nfs/dbraw/zinc/27/32/41/567273241.db2.gz GZEMWBWIMHNOKB-INIZCTEOSA-N 1 0 397.273 3.273 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000591303932 567273470 /nfs/dbraw/zinc/27/34/70/567273470.db2.gz GZEMWBWIMHNOKB-MRXNPFEDSA-N 1 0 397.273 3.273 10 5 GGBERO Cn1c(=O)sc2cc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000525991709 567282260 /nfs/dbraw/zinc/28/22/60/567282260.db2.gz HUZRHETUPVHQHM-UHFFFAOYSA-N 1 0 377.853 3.494 10 5 GGBERO CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000476048654 567292847 /nfs/dbraw/zinc/29/28/47/567292847.db2.gz FLPIMZBYEBAKRP-CABCVRRESA-N 1 0 386.315 3.373 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000592427262 567338159 /nfs/dbraw/zinc/33/81/59/567338159.db2.gz WJERZBDNXLXHAD-AWEZNQCLSA-N 1 0 397.273 3.462 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592426131 567338335 /nfs/dbraw/zinc/33/83/35/567338335.db2.gz JQEJEUYJQPRGLD-ZDUSSCGKSA-N 1 0 383.246 3.154 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592537410 567345811 /nfs/dbraw/zinc/34/58/11/567345811.db2.gz APBVQEHNJFNCJC-GXTWGEPZSA-N 1 0 383.901 3.331 10 5 GGBERO Cc1c(NC(=O)N2CC[NH+](C3CCC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326428 567355830 /nfs/dbraw/zinc/35/58/30/567355830.db2.gz CVSQWAPGKLDMBE-UHFFFAOYSA-N 1 0 397.273 3.368 10 5 GGBERO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327367 567355912 /nfs/dbraw/zinc/35/59/12/567355912.db2.gz GWPHLKYZQGIWPA-OAHLLOKOSA-N 1 0 399.289 3.470 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330457 567356143 /nfs/dbraw/zinc/35/61/43/567356143.db2.gz SWEYEVKAKMLVNC-CABZTGNLSA-N 1 0 385.262 3.270 10 5 GGBERO Cc1c(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325824 567356215 /nfs/dbraw/zinc/35/62/15/567356215.db2.gz CMCJTAMXXOAFJT-LBPRGKRZSA-N 1 0 399.289 3.471 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325161 567356670 /nfs/dbraw/zinc/35/66/70/567356670.db2.gz YUGXMUJICMSWRB-GXTWGEPZSA-N 1 0 397.273 3.414 10 5 GGBERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501068614 567362260 /nfs/dbraw/zinc/36/22/60/567362260.db2.gz GSNTXABDXFGXOW-MFKMUULPSA-N 1 0 385.262 3.304 10 5 GGBERO Cc1nccn1CCCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501121313 567365661 /nfs/dbraw/zinc/36/56/61/567365661.db2.gz VOVOZNWGYJTIBD-UHFFFAOYSA-N 1 0 396.245 3.464 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000501107997 567366259 /nfs/dbraw/zinc/36/62/59/567366259.db2.gz OJQLRQKEOOLOOI-AWEZNQCLSA-N 1 0 397.273 3.449 10 5 GGBERO Cc1sc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000457092982 567439778 /nfs/dbraw/zinc/43/97/78/567439778.db2.gz XUSCJWVEKDONIB-UHFFFAOYSA-N 1 0 379.404 3.454 10 5 GGBERO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541006 567463538 /nfs/dbraw/zinc/46/35/38/567463538.db2.gz XWHFGLDUBNXHME-LLVKDONJSA-N 1 0 385.262 3.129 10 5 GGBERO CC[N@@H+]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000619541665 567463579 /nfs/dbraw/zinc/46/35/79/567463579.db2.gz XQERJXSGHQGNSM-SNVBAGLBSA-N 1 0 385.262 3.224 10 5 GGBERO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541010 567463975 /nfs/dbraw/zinc/46/39/75/567463975.db2.gz XWHFGLDUBNXHME-NSHDSACASA-N 1 0 385.262 3.129 10 5 GGBERO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000570408524 567481889 /nfs/dbraw/zinc/48/18/89/567481889.db2.gz SLYVMYNPYSDEDA-GFCCVEGCSA-N 1 0 385.262 3.224 10 5 GGBERO CO[C@@](C)(CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000594508183 567481812 /nfs/dbraw/zinc/48/18/12/567481812.db2.gz BOXHCIYXJRLXLN-MRXNPFEDSA-N 1 0 399.241 3.104 10 5 GGBERO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000594955213 567529031 /nfs/dbraw/zinc/52/90/31/567529031.db2.gz PVSBAXHTAAHBOY-NSHDSACASA-N 1 0 397.216 3.488 10 5 GGBERO CC(C)(C)OCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571128581 567539236 /nfs/dbraw/zinc/53/92/36/567539236.db2.gz ZZOSVBSEJDXNQB-UHFFFAOYSA-N 1 0 378.210 3.104 10 5 GGBERO Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596267868 567619810 /nfs/dbraw/zinc/61/98/10/567619810.db2.gz AOUZSOYIOBMPGD-UHFFFAOYSA-N 1 0 398.301 3.357 10 5 GGBERO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000459550117 567636080 /nfs/dbraw/zinc/63/60/80/567636080.db2.gz HHHVZQWLJBXYNA-NSHDSACASA-N 1 0 385.262 3.211 10 5 GGBERO C[NH+](C)[C@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1cccs1 ZINC000597095001 567681193 /nfs/dbraw/zinc/68/11/93/567681193.db2.gz UVKXQWUFWGTJDK-GFCCVEGCSA-N 1 0 383.861 3.316 10 5 GGBERO O=[N+]([O-])c1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(Cl)c1 ZINC000598992960 567802303 /nfs/dbraw/zinc/80/23/03/567802303.db2.gz FDFDFMZXVNTFNQ-UHFFFAOYSA-N 1 0 378.803 3.295 10 5 GGBERO CCC1([NH+]2CCOCC2)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000599188719 567810058 /nfs/dbraw/zinc/81/00/58/567810058.db2.gz WHVKBKJLMVIYGU-UHFFFAOYSA-N 1 0 398.301 3.439 10 5 GGBERO C[NH+](C)CCN1Cc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C1 ZINC000089314324 570446590 /nfs/dbraw/zinc/44/65/90/570446590.db2.gz CJUNQFJEJPIAHD-UHFFFAOYSA-N 1 0 388.855 3.378 10 5 GGBERO CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000107535993 570974886 /nfs/dbraw/zinc/97/48/86/570974886.db2.gz COUVHWMTKHUUIE-JSGCOSHPSA-N 1 0 378.860 3.078 10 5 GGBERO C[C@H](Cc1ccccc1[N+](=O)[O-])[C@@H](C)[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000252536877 570991077 /nfs/dbraw/zinc/99/10/77/570991077.db2.gz JRYVQVSWNRULKX-NFAWXSAZSA-N 1 0 387.402 3.305 10 5 GGBERO COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069896142 1409720800 /nfs/dbraw/zinc/72/08/00/1409720800.db2.gz FHQOLJBNEBRVLK-HXUWFJFHSA-N 1 0 389.496 3.224 10 5 GGBERO CCc1cc(N2CC[NH+]([C@@H]3CCSC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079076554 1409955297 /nfs/dbraw/zinc/95/52/97/1409955297.db2.gz OIBIFFBQOWHMDO-GOSISDBHSA-N 1 0 399.520 3.242 10 5 GGBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000121179299 1414035233 /nfs/dbraw/zinc/03/52/33/1414035233.db2.gz CIDROMONQZVEGE-KRWDZBQOSA-N 1 0 382.464 3.048 10 5 GGBERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000132809942 1416817967 /nfs/dbraw/zinc/81/79/67/1416817967.db2.gz ATOQGURLULTKKM-KRWDZBQOSA-N 1 0 378.432 3.138 10 5 GGBERO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000180607750 1429930223 /nfs/dbraw/zinc/93/02/23/1429930223.db2.gz FIUAPVCNGFOMBO-BEFAXECRSA-N 1 0 380.452 3.275 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180834327 1430063154 /nfs/dbraw/zinc/06/31/54/1430063154.db2.gz ASPHFLJWTSPISM-OAHLLOKOSA-N 1 0 379.420 3.378 10 5 GGBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278182132 1435367115 /nfs/dbraw/zinc/36/71/15/1435367115.db2.gz DBYZXBZNLVHDBD-CQSZACIVSA-N 1 0 395.385 3.362 10 5 GGBERO O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 ZINC000003178018 717095169 /nfs/dbraw/zinc/09/51/69/717095169.db2.gz ZGHNSRAKMOUHFI-LEWJYISDSA-N 1 0 384.496 3.015 10 5 GGBERO O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 ZINC000003178015 717095173 /nfs/dbraw/zinc/09/51/73/717095173.db2.gz ZGHNSRAKMOUHFI-SFTDATJTSA-N 1 0 384.496 3.015 10 5 GGBERO CCOC(=O)c1ccc2c(c1)N=C(C)[N@+]2(CC)Cc1nnnn1-c1ccccc1 ZINC000249703141 717164795 /nfs/dbraw/zinc/16/47/95/717164795.db2.gz JMHTXMZLIIIBOK-MHZLTWQESA-N 1 0 391.455 3.430 10 5 GGBERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001460872241 1126193229 /nfs/dbraw/zinc/19/32/29/1126193229.db2.gz UVSKRRYVRXVRAH-QGZVFWFLSA-N 1 0 379.254 3.441 10 5 GGBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001473840352 1126200907 /nfs/dbraw/zinc/20/09/07/1126200907.db2.gz WACQGPCZLFMTTO-IBGZPJMESA-N 1 0 392.839 3.118 10 5 GGBERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC001648470559 1126250976 /nfs/dbraw/zinc/25/09/76/1126250976.db2.gz XZYLVKYPTQKFEK-LJQANCHMSA-N 1 0 394.855 3.349 10 5 GGBERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000097001819 208332762 /nfs/dbraw/zinc/33/27/62/208332762.db2.gz RORIZRPKHSZYPI-UHFFFAOYSA-N 1 0 395.456 3.497 10 5 GGBERO CCc1cc(N[C@H](CO)CC[NH+](CC)CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000225535864 208957805 /nfs/dbraw/zinc/95/78/05/208957805.db2.gz OFSWBDQBBJUCTQ-KRWDZBQOSA-N 1 0 387.484 3.119 10 5 GGBERO CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000089949222 136175880 /nfs/dbraw/zinc/17/58/80/136175880.db2.gz COUVHWMTKHUUIE-OCCSQVGLSA-N 1 0 378.860 3.078 10 5 GGBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000026712502 564348898 /nfs/dbraw/zinc/34/88/98/564348898.db2.gz MBFUBPDWCZWABH-JSGCOSHPSA-N 1 0 395.253 3.448 10 5 GGBERO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000028920322 564365760 /nfs/dbraw/zinc/36/57/60/564365760.db2.gz WZJHLWJNNWZLBQ-WBMJQRKESA-N 1 0 395.253 3.448 10 5 GGBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126430711 564548257 /nfs/dbraw/zinc/54/82/57/564548257.db2.gz CBINDLZQPQNHIW-ZDUSSCGKSA-N 1 0 384.274 3.222 10 5 GGBERO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000129928930 564665261 /nfs/dbraw/zinc/66/52/61/564665261.db2.gz IDMPNFDYDBZDOR-UHFFFAOYSA-N 1 0 384.274 3.208 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000151574796 564927099 /nfs/dbraw/zinc/92/70/99/564927099.db2.gz NWADBXUCILMBJP-ABAIWWIYSA-N 1 0 398.301 3.468 10 5 GGBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151623326 564930438 /nfs/dbraw/zinc/93/04/38/564930438.db2.gz BRGDPLHTDGDKRH-SECBINFHSA-N 1 0 390.665 3.082 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000153018403 564981689 /nfs/dbraw/zinc/98/16/89/564981689.db2.gz LPNZXFULJUIRBG-WBMJQRKESA-N 1 0 398.301 3.089 10 5 GGBERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000155151906 565062940 /nfs/dbraw/zinc/06/29/40/565062940.db2.gz JNICKONXEOWOJQ-PWSUYJOCSA-N 1 0 385.262 3.304 10 5 GGBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183887015 565100994 /nfs/dbraw/zinc/10/09/94/565100994.db2.gz ZTZGZNAMYMAMKS-MRXNPFEDSA-N 1 0 381.226 3.059 10 5 GGBERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000295192252 565250762 /nfs/dbraw/zinc/25/07/62/565250762.db2.gz JPKWPNPHYLJXRB-VHSXEESVSA-N 1 0 396.296 3.005 10 5 GGBERO O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000296826086 565339005 /nfs/dbraw/zinc/33/90/05/565339005.db2.gz DNYSSSYYSPOQPB-UHFFFAOYSA-N 1 0 382.258 3.104 10 5 GGBERO Cc1cncn1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000377322744 565474891 /nfs/dbraw/zinc/47/48/91/565474891.db2.gz QNKYMAKPEUZYGV-UHFFFAOYSA-N 1 0 393.241 3.340 10 5 GGBERO CC[C@@H](CO)[NH+]1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301473204 565488103 /nfs/dbraw/zinc/48/81/03/565488103.db2.gz QSRIYGLPZHQNDB-JTQLQIEISA-N 1 0 381.782 3.160 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2c[nH]cn2)CC1 ZINC000378076414 565511321 /nfs/dbraw/zinc/51/13/21/565511321.db2.gz LNBIPSVSLBRPBN-UHFFFAOYSA-N 1 0 379.214 3.100 10 5 GGBERO O=[N+]([O-])c1cc(Br)cnc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000301957390 565521001 /nfs/dbraw/zinc/52/10/01/565521001.db2.gz MYKCPSWFKGIJJM-UHFFFAOYSA-N 1 0 395.261 3.178 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000278022485 565534697 /nfs/dbraw/zinc/53/46/97/565534697.db2.gz QCZDRORORZDXAN-ZJUUUORDSA-N 1 0 390.303 3.221 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000408123928 565595592 /nfs/dbraw/zinc/59/55/92/565595592.db2.gz KZNLBMVQIRBDHY-LBPRGKRZSA-N 1 0 377.242 3.190 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000192347214 565682582 /nfs/dbraw/zinc/68/25/82/565682582.db2.gz LQCJXCQDOUKMHB-YPMHNXCESA-N 1 0 384.274 3.160 10 5 GGBERO CC[N@@H+]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280639148 565686226 /nfs/dbraw/zinc/68/62/26/565686226.db2.gz BCFKSVCOUHTRDN-UHFFFAOYSA-N 1 0 385.262 3.225 10 5 GGBERO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000175777581 565723782 /nfs/dbraw/zinc/72/37/82/565723782.db2.gz IEQDDPAFSSSATO-CQSZACIVSA-N 1 0 396.285 3.448 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000284401688 565852891 /nfs/dbraw/zinc/85/28/91/565852891.db2.gz QQOVCCPNEDFGAP-CMPLNLGQSA-N 1 0 384.274 3.220 10 5 GGBERO Cc1c(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415651920 566010833 /nfs/dbraw/zinc/01/08/33/566010833.db2.gz GYNDMQJRLXJXHW-GWCFXTLKSA-N 1 0 385.262 3.399 10 5 GGBERO Cc1c(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415647582 566011334 /nfs/dbraw/zinc/01/13/34/566011334.db2.gz AVLXLQFRSSLKJC-LBPRGKRZSA-N 1 0 385.262 3.319 10 5 GGBERO Cc1c(NC(=O)N2CCC3(C2)CC[NH2+]CC3)cc(Br)cc1[N+](=O)[O-] ZINC000415647570 566011549 /nfs/dbraw/zinc/01/15/49/566011549.db2.gz AVEGSVJFIYKPMQ-UHFFFAOYSA-N 1 0 397.273 3.273 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415657319 566011938 /nfs/dbraw/zinc/01/19/38/566011938.db2.gz MEZWQZKNFKWJOS-ONGXEEELSA-N 1 0 385.262 3.114 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656033 566011988 /nfs/dbraw/zinc/01/19/88/566011988.db2.gz KZRYVQFAVQAWJX-QWRGUYRKSA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656268 566012090 /nfs/dbraw/zinc/01/20/90/566012090.db2.gz LDHHYOBEEQYAAX-NQBHXWOUSA-N 1 0 397.273 3.175 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415654921 566012204 /nfs/dbraw/zinc/01/22/04/566012204.db2.gz JVWHWMBOPBZZLQ-ZDUSSCGKSA-N 1 0 385.262 3.175 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415703586 566013107 /nfs/dbraw/zinc/01/31/07/566013107.db2.gz QUTNUMIGJRUCGU-GFCCVEGCSA-N 1 0 397.273 3.211 10 5 GGBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000365432735 566101124 /nfs/dbraw/zinc/10/11/24/566101124.db2.gz UVDASVKWAJLKBH-UHFFFAOYSA-N 1 0 382.258 3.104 10 5 GGBERO C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000261636219 566126002 /nfs/dbraw/zinc/12/60/02/566126002.db2.gz DNMRYUCWQTYYTP-WDEREUQCSA-N 1 0 379.258 3.327 10 5 GGBERO [NH3+]CC[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261645808 566127385 /nfs/dbraw/zinc/12/73/85/566127385.db2.gz DPBAPEUBTHOHQH-NSHDSACASA-N 1 0 379.258 3.471 10 5 GGBERO C[C@H]([NH3+])[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261754679 566133531 /nfs/dbraw/zinc/13/35/31/566133531.db2.gz PIADKZZKKFMFMN-WDEREUQCSA-N 1 0 379.258 3.469 10 5 GGBERO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000181534426 566147884 /nfs/dbraw/zinc/14/78/84/566147884.db2.gz IINQNQAHEHRKFT-AWEZNQCLSA-N 1 0 393.241 3.432 10 5 GGBERO Cc1c(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366722939 566165311 /nfs/dbraw/zinc/16/53/11/566165311.db2.gz AGZBQUDYVYNFDX-CYBMUJFWSA-N 1 0 397.273 3.368 10 5 GGBERO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182569602 566212685 /nfs/dbraw/zinc/21/26/85/566212685.db2.gz OFSMCAKTLSRIMP-JTQLQIEISA-N 1 0 378.226 3.307 10 5 GGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599384138 566260131 /nfs/dbraw/zinc/26/01/31/566260131.db2.gz IQDJCXOFMRYKLI-TXEJJXNPSA-N 1 0 384.274 3.350 10 5 GGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599384137 566260425 /nfs/dbraw/zinc/26/04/25/566260425.db2.gz IQDJCXOFMRYKLI-RYUDHWBXSA-N 1 0 384.274 3.350 10 5 GGBERO Cc1c(NC(=O)N2CC[NH2+]C[C@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000599606925 566279149 /nfs/dbraw/zinc/27/91/49/566279149.db2.gz RAEMRHMSPSMFDA-AWEZNQCLSA-N 1 0 385.262 3.127 10 5 GGBERO CC1([NH+]2CCOCC2)CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000599621513 566280005 /nfs/dbraw/zinc/28/00/05/566280005.db2.gz DDLNUABYYAKEMH-UHFFFAOYSA-N 1 0 398.301 3.044 10 5 GGBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600472735 566340784 /nfs/dbraw/zinc/34/07/84/566340784.db2.gz PHQCFEMDSSLJNL-CQSZACIVSA-N 1 0 385.251 3.273 10 5 GGBERO CC1([NH+]2CCCC2)CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000601743929 566421362 /nfs/dbraw/zinc/42/13/62/566421362.db2.gz WISGXNCNCUQRPD-UHFFFAOYSA-N 1 0 396.285 3.448 10 5 GGBERO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000601737160 566422387 /nfs/dbraw/zinc/42/23/87/566422387.db2.gz FRBMHTHWUXRVHD-UHFFFAOYSA-N 1 0 396.285 3.448 10 5 GGBERO C[C@@](CO)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000511566032 566472969 /nfs/dbraw/zinc/47/29/69/566472969.db2.gz VGQVBJNHCOYHPB-KRWDZBQOSA-N 1 0 395.253 3.233 10 5 GGBERO C[C@](CO)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000511608154 566475083 /nfs/dbraw/zinc/47/50/83/566475083.db2.gz ZTAVCAPPTOYKFV-QGZVFWFLSA-N 1 0 395.253 3.233 10 5 GGBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000512543190 566542630 /nfs/dbraw/zinc/54/26/30/566542630.db2.gz APAOUXOLIMFGCC-UHFFFAOYSA-N 1 0 387.527 3.123 10 5 GGBERO CCCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000609465508 566764974 /nfs/dbraw/zinc/76/49/74/566764974.db2.gz KANHFKBOXRDMOH-UHFFFAOYSA-N 1 0 389.905 3.099 10 5 GGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610064367 566801799 /nfs/dbraw/zinc/80/17/99/566801799.db2.gz DAXMCFBWWOCRNH-RYUDHWBXSA-N 1 0 384.274 3.350 10 5 GGBERO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000494222279 566977047 /nfs/dbraw/zinc/97/70/47/566977047.db2.gz DYGHTDKXTKAFMB-UHFFFAOYSA-N 1 0 385.283 3.456 10 5 GGBERO COCC1(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000564961363 567023950 /nfs/dbraw/zinc/02/39/50/567023950.db2.gz QBIGFRCQZUXNHA-UHFFFAOYSA-N 1 0 390.221 3.106 10 5 GGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431033700 567049330 /nfs/dbraw/zinc/04/93/30/567049330.db2.gz RDUWJKBWWBOFAM-TXEJJXNPSA-N 1 0 384.274 3.350 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000585699786 567080388 /nfs/dbraw/zinc/08/03/88/567080388.db2.gz NQMPKVLTLXOEIP-YHWZYXNKSA-N 1 0 396.285 3.411 10 5 GGBERO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000473944701 567116811 /nfs/dbraw/zinc/11/68/11/567116811.db2.gz LFGGPNYXTOQEAS-UHFFFAOYSA-N 1 0 389.905 3.053 10 5 GGBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931853 567118480 /nfs/dbraw/zinc/11/84/80/567118480.db2.gz TWIQIIKWXILBNA-RYUDHWBXSA-N 1 0 384.274 3.350 10 5 GGBERO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000475728324 567269242 /nfs/dbraw/zinc/26/92/42/567269242.db2.gz AYCYUXCUCNPKEV-UHFFFAOYSA-N 1 0 379.258 3.466 10 5 GGBERO CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592258921 567325790 /nfs/dbraw/zinc/32/57/90/567325790.db2.gz YCWWVUQYELQDNG-CYBMUJFWSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc(Br)cc1[N+](=O)[O-] ZINC000592427265 567338321 /nfs/dbraw/zinc/33/83/21/567338321.db2.gz WJERZBDNXLXHAD-CQSZACIVSA-N 1 0 397.273 3.462 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592537412 567345294 /nfs/dbraw/zinc/34/52/94/567345294.db2.gz APBVQEHNJFNCJC-OCCSQVGLSA-N 1 0 383.901 3.331 10 5 GGBERO CC[N@H+](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 ZINC000435327939 567356087 /nfs/dbraw/zinc/35/60/87/567356087.db2.gz JGNRNKKTCMPTBE-UHFFFAOYSA-N 1 0 385.262 3.272 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330458 567356680 /nfs/dbraw/zinc/35/66/80/567356680.db2.gz SWEYEVKAKMLVNC-JOYOIKCWSA-N 1 0 385.262 3.270 10 5 GGBERO Cc1c(NC(=O)N2CCC([NH+](C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435333468 567357842 /nfs/dbraw/zinc/35/78/42/567357842.db2.gz PYYYALAYSNGYAQ-UHFFFAOYSA-N 1 0 385.262 3.224 10 5 GGBERO Cc1c(NC(=O)N2CC[NH+](CC(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435333400 567358260 /nfs/dbraw/zinc/35/82/60/567358260.db2.gz PQIJJILEHPNGJC-UHFFFAOYSA-N 1 0 399.289 3.471 10 5 GGBERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501068612 567362399 /nfs/dbraw/zinc/36/23/99/567362399.db2.gz GSNTXABDXFGXOW-GWCFXTLKSA-N 1 0 385.262 3.304 10 5 GGBERO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000501068613 567363184 /nfs/dbraw/zinc/36/31/84/567363184.db2.gz GSNTXABDXFGXOW-GXFFZTMASA-N 1 0 385.262 3.304 10 5 GGBERO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000501075283 567363277 /nfs/dbraw/zinc/36/32/77/567363277.db2.gz OYHUPJXCXJQQTG-NHYWBVRUSA-N 1 0 397.273 3.305 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000501097750 567364249 /nfs/dbraw/zinc/36/42/49/567364249.db2.gz CVFAGJIQYRRJHR-CQSZACIVSA-N 1 0 397.273 3.449 10 5 GGBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501086791 567364635 /nfs/dbraw/zinc/36/46/35/567364635.db2.gz XFRURNZBCVRHOQ-NSHDSACASA-N 1 0 385.262 3.163 10 5 GGBERO Cc1nccn1CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501119090 567366591 /nfs/dbraw/zinc/36/65/91/567366591.db2.gz IFTCGMOXERZGQB-UHFFFAOYSA-N 1 0 382.218 3.074 10 5 GGBERO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070735 567384223 /nfs/dbraw/zinc/38/42/23/567384223.db2.gz PJBIZUDDYJEHBK-CYBMUJFWSA-N 1 0 390.221 3.200 10 5 GGBERO Cc1c(NC(=O)NCCC2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000593763921 567439407 /nfs/dbraw/zinc/43/94/07/567439407.db2.gz SSTQWRCHDMPXLU-UHFFFAOYSA-N 1 0 385.262 3.177 10 5 GGBERO C[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000594955212 567528843 /nfs/dbraw/zinc/52/88/43/567528843.db2.gz PVSBAXHTAAHBOY-LLVKDONJSA-N 1 0 397.216 3.488 10 5 GGBERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CS1(=O)=O ZINC000594974439 567531238 /nfs/dbraw/zinc/53/12/38/567531238.db2.gz KTRGJEQAXLNKNE-CHWSQXEVSA-N 1 0 380.491 3.379 10 5 GGBERO Cc1ccncc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594969015 567531306 /nfs/dbraw/zinc/53/13/06/567531306.db2.gz UTCBTWBHDNZENW-UHFFFAOYSA-N 1 0 397.216 3.235 10 5 GGBERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000594993358 567532549 /nfs/dbraw/zinc/53/25/49/567532549.db2.gz PLHJQVPWVWNUMM-UHFFFAOYSA-N 1 0 380.491 3.380 10 5 GGBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000571586573 567573271 /nfs/dbraw/zinc/57/32/71/567573271.db2.gz OLXMMUJKJDNJKC-OAHLLOKOSA-N 1 0 399.216 3.026 10 5 GGBERO Cc1c(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(Br)cc1[N+](=O)[O-] ZINC000571623527 567576044 /nfs/dbraw/zinc/57/60/44/567576044.db2.gz DGNCAOIXIFGFSU-INIZCTEOSA-N 1 0 397.273 3.273 10 5 GGBERO CC[NH+](CC)CCSCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552741166 567606513 /nfs/dbraw/zinc/60/65/13/567606513.db2.gz AWFPGFIWMBHXTA-UHFFFAOYSA-N 1 0 390.303 3.371 10 5 GGBERO COc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)c(Cl)cc1[N+](=O)[O-] ZINC000596131518 567611410 /nfs/dbraw/zinc/61/14/10/567611410.db2.gz OCXVJXYXXZHYQI-UHFFFAOYSA-N 1 0 383.861 3.004 10 5 GGBERO COc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c(Cl)cc1[N+](=O)[O-] ZINC000596132554 567611624 /nfs/dbraw/zinc/61/16/24/567611624.db2.gz ZIBLUYWMUIKDFS-SECBINFHSA-N 1 0 383.861 3.004 10 5 GGBERO O=[N+]([O-])c1cncc(Cl)c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000596223624 567617715 /nfs/dbraw/zinc/61/77/15/567617715.db2.gz QEVMCZDVZIXIOX-UHFFFAOYSA-N 1 0 378.782 3.282 10 5 GGBERO O=[N+]([O-])c1cc(Br)ccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268298 567620166 /nfs/dbraw/zinc/62/01/66/567620166.db2.gz JGHYUYJTGDSFMQ-UHFFFAOYSA-N 1 0 384.274 3.048 10 5 GGBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000598465296 567770389 /nfs/dbraw/zinc/77/03/89/567770389.db2.gz LHZBQPVMDFHZPD-UHFFFAOYSA-N 1 0 378.292 3.269 10 5 GGBERO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000598650451 567781353 /nfs/dbraw/zinc/78/13/53/567781353.db2.gz YHGQCAQGWJZKIR-SECBINFHSA-N 1 0 382.148 3.334 10 5 GGBERO CC1([NH+]2CCOCC2)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599160201 567807673 /nfs/dbraw/zinc/80/76/73/567807673.db2.gz JBMZJGUGLZOEEG-UHFFFAOYSA-N 1 0 384.274 3.048 10 5 GGBERO CCC1([NH+]2CCOCC2)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599184071 567809246 /nfs/dbraw/zinc/80/92/46/567809246.db2.gz XSZDLBGQGFZXSV-UHFFFAOYSA-N 1 0 398.301 3.439 10 5 GGBERO COc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000048287969 570228049 /nfs/dbraw/zinc/22/80/49/570228049.db2.gz UGANMCUCLAPESX-IBGZPJMESA-N 1 0 383.448 3.273 10 5 GGBERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F ZINC000004917626 570365371 /nfs/dbraw/zinc/36/53/71/570365371.db2.gz FWQLOCSZKKZXSM-LBPRGKRZSA-N 1 0 388.399 3.313 10 5 GGBERO CC(C)[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160457 570555882 /nfs/dbraw/zinc/55/58/82/570555882.db2.gz IRGGZJFJLWKJTH-HZPDHXFCSA-N 1 0 392.456 3.108 10 5 GGBERO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583623197 570801493 /nfs/dbraw/zinc/80/14/93/570801493.db2.gz WZBQWJJYRFUYCA-CQSZACIVSA-N 1 0 395.419 3.056 10 5 GGBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000045803359 570997238 /nfs/dbraw/zinc/99/72/38/570997238.db2.gz QGDKVZDNIDFJKK-XHSDSOJGSA-N 1 0 375.469 3.004 10 5 GGBERO O=C(c1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000108309507 1411470984 /nfs/dbraw/zinc/47/09/84/1411470984.db2.gz AZKMTUIHRBIQER-UHFFFAOYSA-N 1 0 394.475 3.153 10 5 GGBERO CC(C)(C)OC(=O)NCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119831059 1413585929 /nfs/dbraw/zinc/58/59/29/1413585929.db2.gz GBQLDVKDIZPBKZ-UHFFFAOYSA-N 1 0 378.473 3.068 10 5 GGBERO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000153430209 1422531998 /nfs/dbraw/zinc/53/19/98/1422531998.db2.gz HRYIGFULQTVLLP-CQSZACIVSA-N 1 0 392.477 3.389 10 5 GGBERO O=C1COc2ccccc2N1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174523553 1427202206 /nfs/dbraw/zinc/20/22/06/1427202206.db2.gz DVQVTCIUQOBKIO-UHFFFAOYSA-N 1 0 375.812 3.154 10 5 GGBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180834282 1430063298 /nfs/dbraw/zinc/06/32/98/1430063298.db2.gz BFAKQCDFGMRBMG-OAHLLOKOSA-N 1 0 379.420 3.378 10 5 GGBERO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245732786 1433507405 /nfs/dbraw/zinc/50/74/05/1433507405.db2.gz FIUAPVCNGFOMBO-HNAYVOBHSA-N 1 0 380.452 3.275 10 5 GGBERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001176589269 1126149788 /nfs/dbraw/zinc/14/97/88/1126149788.db2.gz WORVGOHYKKPAHC-OAQYLSRUSA-N 1 0 397.431 3.342 10 5 GGBERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC001460855697 1126192184 /nfs/dbraw/zinc/19/21/84/1126192184.db2.gz CUMIQZBHTQHAFK-OAQYLSRUSA-N 1 0 388.464 3.474 10 5 GGBERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001644308729 1126247107 /nfs/dbraw/zinc/24/71/07/1126247107.db2.gz NDMKVXVGOZKHHG-NRFANRHFSA-N 1 0 388.464 3.474 10 5 GGBERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001648466589 1126250502 /nfs/dbraw/zinc/25/05/02/1126250502.db2.gz LEJYFADMDLVTNZ-KRWDZBQOSA-N 1 0 379.254 3.441 10 5 GGBERO O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 ZINC000003178017 209415267 /nfs/dbraw/zinc/41/52/67/209415267.db2.gz ZGHNSRAKMOUHFI-RTWAWAEBSA-N 1 0 384.496 3.015 10 5 GGBERO Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084114698 211167424 /nfs/dbraw/zinc/16/74/24/211167424.db2.gz VGNWPLRCPJLGGN-SFHVURJKSA-N 1 0 383.452 3.025 10 5 GGBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1cn2cc(Cl)ccc2n1 ZINC000117750070 564231342 /nfs/dbraw/zinc/23/13/42/564231342.db2.gz HDBKNIMATDTHJR-UHFFFAOYSA-N 1 0 379.203 3.408 10 5 GGBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126430420 564548275 /nfs/dbraw/zinc/54/82/75/564548275.db2.gz CBINDLZQPQNHIW-CYBMUJFWSA-N 1 0 384.274 3.222 10 5 GGBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000131966702 564730131 /nfs/dbraw/zinc/73/01/31/564730131.db2.gz UUNCQRJFSYKFNT-INIZCTEOSA-N 1 0 392.253 3.390 10 5 GGBERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000155152003 565062885 /nfs/dbraw/zinc/06/28/85/565062885.db2.gz JNICKONXEOWOJQ-JQWIXIFHSA-N 1 0 385.262 3.304 10 5 GGBERO CC(=O)N1CCC(N(Cc2csc([N+](=O)[O-])c2)Cc2cncs2)CC1 ZINC000292475820 565117581 /nfs/dbraw/zinc/11/75/81/565117581.db2.gz RSFYJQICYLYQDA-UHFFFAOYSA-N 1 0 380.495 3.126 10 5 GGBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000160493218 565248463 /nfs/dbraw/zinc/24/84/63/565248463.db2.gz RSIXTMUNHREUAU-OAHLLOKOSA-N 1 0 398.301 3.136 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000375536642 565393051 /nfs/dbraw/zinc/39/30/51/565393051.db2.gz GIJPURBERNRPFC-UHFFFAOYSA-N 1 0 395.257 3.225 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375540530 565393987 /nfs/dbraw/zinc/39/39/87/565393987.db2.gz NSHYGYYSTMKDER-WCQYABFASA-N 1 0 383.246 3.106 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375540524 565394500 /nfs/dbraw/zinc/39/45/00/565394500.db2.gz NSHYGYYSTMKDER-AAEUAGOBSA-N 1 0 383.246 3.106 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375540526 565394709 /nfs/dbraw/zinc/39/47/09/565394709.db2.gz NSHYGYYSTMKDER-DGCLKSJQSA-N 1 0 383.246 3.106 10 5 GGBERO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376700091 565450010 /nfs/dbraw/zinc/45/00/10/565450010.db2.gz LGMMTWLKBHCZLV-PBWFPOADSA-N 1 0 397.273 3.446 10 5 GGBERO C[C@H]1C[N@@H+](C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301178211 565470625 /nfs/dbraw/zinc/47/06/25/565470625.db2.gz MDDVXKJJOOJOEH-LBPRGKRZSA-N 1 0 384.274 3.047 10 5 GGBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000392245200 565564720 /nfs/dbraw/zinc/56/47/20/565564720.db2.gz QNRFPBKRLSDCQR-CQSZACIVSA-N 1 0 385.247 3.474 10 5 GGBERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383967 565606515 /nfs/dbraw/zinc/60/65/15/565606515.db2.gz FAGSIBVSWCGLGK-YPMHNXCESA-N 1 0 382.258 3.056 10 5 GGBERO Cc1c(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000280647052 565685972 /nfs/dbraw/zinc/68/59/72/565685972.db2.gz BTKOLFMJTKTERD-NSHDSACASA-N 1 0 385.262 3.081 10 5 GGBERO Cc1c(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280705389 565690138 /nfs/dbraw/zinc/69/01/38/565690138.db2.gz IFKGDXCNIGLCDL-LLVKDONJSA-N 1 0 397.273 3.438 10 5 GGBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000280816706 565697747 /nfs/dbraw/zinc/69/77/47/565697747.db2.gz SYIPOOYRJJDRQI-LBPRGKRZSA-N 1 0 399.289 3.471 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@H](C)C1 ZINC000330477745 565708804 /nfs/dbraw/zinc/70/88/04/565708804.db2.gz WRSHROYMVCHSJU-BZNIZROVSA-N 1 0 398.301 3.468 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000176004728 565739863 /nfs/dbraw/zinc/73/98/63/565739863.db2.gz QGXATPDPVXRDRT-RISCZKNCSA-N 1 0 384.274 3.160 10 5 GGBERO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000413225404 565840469 /nfs/dbraw/zinc/84/04/69/565840469.db2.gz GQTTTYXVLJXHFF-CHWSQXEVSA-N 1 0 376.404 3.025 10 5 GGBERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123529 565889209 /nfs/dbraw/zinc/88/92/09/565889209.db2.gz LDCXPDZBCYGBCG-BONVTDFDSA-N 1 0 380.242 3.324 10 5 GGBERO Cc1c(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415647958 566010639 /nfs/dbraw/zinc/01/06/39/566010639.db2.gz AZYQKHRIQXJMDU-GFCCVEGCSA-N 1 0 383.246 3.024 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415654320 566010653 /nfs/dbraw/zinc/01/06/53/566010653.db2.gz JBOMSAWBLWBSME-NSHDSACASA-N 1 0 385.262 3.258 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415650041 566011512 /nfs/dbraw/zinc/01/15/12/566011512.db2.gz DYLOIKNZSOWXGF-CMPLNLGQSA-N 1 0 385.262 3.305 10 5 GGBERO Cc1c(NC(=O)N2CCC([C@H](C)[NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415654798 566011785 /nfs/dbraw/zinc/01/17/85/566011785.db2.gz JKPVJVZDEBNDSF-JTQLQIEISA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656266 566012135 /nfs/dbraw/zinc/01/21/35/566012135.db2.gz LDHHYOBEEQYAAX-DMDPSCGWSA-N 1 0 397.273 3.175 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415701808 566013024 /nfs/dbraw/zinc/01/30/24/566013024.db2.gz OWIBKKFQTOHUSG-UHFFFAOYSA-N 1 0 397.273 3.355 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246012502 566013190 /nfs/dbraw/zinc/01/31/90/566013190.db2.gz RUEDNIHNENQTMO-NHYWBVRUSA-N 1 0 384.274 3.160 10 5 GGBERO CC[NH2+]CC1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415699541 566013164 /nfs/dbraw/zinc/01/31/64/566013164.db2.gz JIOXKKVGTBKSBQ-UHFFFAOYSA-N 1 0 385.262 3.211 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415705947 566014076 /nfs/dbraw/zinc/01/40/76/566014076.db2.gz UOIYIAMSJCIWKS-NEPJUHHUSA-N 1 0 397.273 3.211 10 5 GGBERO C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000261636217 566126254 /nfs/dbraw/zinc/12/62/54/566126254.db2.gz DNMRYUCWQTYYTP-QWRGUYRKSA-N 1 0 379.258 3.327 10 5 GGBERO C[C@H]([NH3+])[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261754675 566133883 /nfs/dbraw/zinc/13/38/83/566133883.db2.gz PIADKZZKKFMFMN-QWRGUYRKSA-N 1 0 379.258 3.469 10 5 GGBERO C[NH2+]C[C@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261813139 566136771 /nfs/dbraw/zinc/13/67/71/566136771.db2.gz VXTHFDKXMDOBQT-LLVKDONJSA-N 1 0 379.258 3.341 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766867 566168954 /nfs/dbraw/zinc/16/89/54/566168954.db2.gz MQIFRXWUIKMAGJ-QWHCGFSZSA-N 1 0 397.273 3.414 10 5 GGBERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000182176418 566188108 /nfs/dbraw/zinc/18/81/08/566188108.db2.gz ZFXCSVSNFUHWIX-QWHCGFSZSA-N 1 0 395.253 3.448 10 5 GGBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182205887 566189400 /nfs/dbraw/zinc/18/94/00/566189400.db2.gz SKEOOJDNTUHZLA-WFASDCNBSA-N 1 0 395.253 3.448 10 5 GGBERO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000182531319 566210817 /nfs/dbraw/zinc/21/08/17/566210817.db2.gz PXTZLYFGZXIJNU-UHFFFAOYSA-N 1 0 389.905 3.052 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000183476703 566247687 /nfs/dbraw/zinc/24/76/87/566247687.db2.gz NGAGBNAXYVOHPW-UHFFFAOYSA-N 1 0 392.253 3.185 10 5 GGBERO Cc1c(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000599606926 566279404 /nfs/dbraw/zinc/27/94/04/566279404.db2.gz RAEMRHMSPSMFDA-CQSZACIVSA-N 1 0 385.262 3.127 10 5 GGBERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653884 566283820 /nfs/dbraw/zinc/28/38/20/566283820.db2.gz WNTSHHJJEYHNSR-OCCSQVGLSA-N 1 0 379.258 3.432 10 5 GGBERO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000575916439 566297386 /nfs/dbraw/zinc/29/73/86/566297386.db2.gz IACSPMNTIZWTPQ-CQSZACIVSA-N 1 0 385.247 3.474 10 5 GGBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446049738 566325811 /nfs/dbraw/zinc/32/58/11/566325811.db2.gz CHHCLTGQDRXKOE-BETUJISGSA-N 1 0 398.301 3.279 10 5 GGBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000600470847 566339926 /nfs/dbraw/zinc/33/99/26/566339926.db2.gz IRULIQQIGFRWIF-OAHLLOKOSA-N 1 0 383.235 3.329 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600467635 566340625 /nfs/dbraw/zinc/34/06/25/566340625.db2.gz ATRMXJFXYDZZBB-CYBMUJFWSA-N 1 0 396.285 3.412 10 5 GGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600473198 566340646 /nfs/dbraw/zinc/34/06/46/566340646.db2.gz UMNLVVZOPXEACE-ZDUSSCGKSA-N 1 0 382.258 3.104 10 5 GGBERO CS[C@H]1CN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000446421731 566349259 /nfs/dbraw/zinc/34/92/59/566349259.db2.gz YVWQYLGRPSGKIE-GJZGRUSLSA-N 1 0 383.901 3.208 10 5 GGBERO Cc1c(Br)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000510442818 566382398 /nfs/dbraw/zinc/38/23/98/566382398.db2.gz KYDBTSDMVMWQSG-AGUYFDCRSA-N 1 0 396.285 3.411 10 5 GGBERO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000511240027 566446758 /nfs/dbraw/zinc/44/67/58/566446758.db2.gz IXKOSAPEZNIPBY-UHFFFAOYSA-N 1 0 389.905 3.053 10 5 GGBERO C[C@](CO)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000511608030 566475003 /nfs/dbraw/zinc/47/50/03/566475003.db2.gz ZJROAYRWPOPQIU-QGZVFWFLSA-N 1 0 395.253 3.233 10 5 GGBERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485451746 566498817 /nfs/dbraw/zinc/49/88/17/566498817.db2.gz NAXVRNQBULHYPF-ABAIWWIYSA-N 1 0 397.273 3.448 10 5 GGBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423965778 566499470 /nfs/dbraw/zinc/49/94/70/566499470.db2.gz YNQJUGMCQZVYEM-UHFFFAOYSA-N 1 0 380.857 3.353 10 5 GGBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000538390665 566510021 /nfs/dbraw/zinc/51/00/21/566510021.db2.gz UCHSQLZUYCCJAH-UHFFFAOYSA-N 1 0 384.267 3.310 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000559517928 566554109 /nfs/dbraw/zinc/55/41/09/566554109.db2.gz PHXHGZQOJXWBJI-NSHDSACASA-N 1 0 384.274 3.270 10 5 GGBERO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000515518729 566717618 /nfs/dbraw/zinc/71/76/18/566717618.db2.gz HXHMVBMNXICURP-NEPJUHHUSA-N 1 0 383.246 3.024 10 5 GGBERO COc1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)ccc1[N+](=O)[O-] ZINC000489233932 566777463 /nfs/dbraw/zinc/77/74/63/566777463.db2.gz RAFVAUFVEOASSY-UHFFFAOYSA-N 1 0 395.257 3.400 10 5 GGBERO Cc1c(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000581621790 566794196 /nfs/dbraw/zinc/79/41/96/566794196.db2.gz HCEICAAOUGZVND-NSHDSACASA-N 1 0 380.242 3.006 10 5 GGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000610043662 566800718 /nfs/dbraw/zinc/80/07/18/566800718.db2.gz HEVVNMONNJGBDS-UHFFFAOYSA-N 1 0 388.181 3.190 10 5 GGBERO CSCc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000563011657 566844320 /nfs/dbraw/zinc/84/43/20/566844320.db2.gz PGJQLESWZFUHSM-UHFFFAOYSA-N 1 0 380.491 3.021 10 5 GGBERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000543598918 566893035 /nfs/dbraw/zinc/89/30/35/566893035.db2.gz MNRONIUPODVSPY-GFCCVEGCSA-N 1 0 380.491 3.270 10 5 GGBERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494653920 567015270 /nfs/dbraw/zinc/01/52/70/567015270.db2.gz VYFMBNATJFPZHE-YGRLFVJLSA-N 1 0 383.857 3.268 10 5 GGBERO C[N@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000431024502 567047218 /nfs/dbraw/zinc/04/72/18/567047218.db2.gz PDGQBGSOBCDUOD-UHFFFAOYSA-N 1 0 384.274 3.352 10 5 GGBERO Cn1cc(Br)c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000453308301 567074717 /nfs/dbraw/zinc/07/47/17/567074717.db2.gz NDTADMHBBISMEB-AWEZNQCLSA-N 1 0 379.258 3.202 10 5 GGBERO CC1(C)CC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000589319796 567174880 /nfs/dbraw/zinc/17/48/80/567174880.db2.gz NUJKXZOPDFABEW-CYBMUJFWSA-N 1 0 390.221 3.247 10 5 GGBERO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)c1 ZINC000475728973 567270286 /nfs/dbraw/zinc/27/02/86/567270286.db2.gz CXOWTHPPKYBDGL-UHFFFAOYSA-N 1 0 379.258 3.466 10 5 GGBERO C[N@H+](CCCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000455401980 567270501 /nfs/dbraw/zinc/27/05/01/567270501.db2.gz NAFNUXHDEUFMAF-UHFFFAOYSA-N 1 0 385.262 3.353 10 5 GGBERO CS[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000476048658 567292440 /nfs/dbraw/zinc/29/24/40/567292440.db2.gz FLPIMZBYEBAKRP-HUUCEWRRSA-N 1 0 386.315 3.373 10 5 GGBERO CS[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000476048656 567292705 /nfs/dbraw/zinc/29/27/05/567292705.db2.gz FLPIMZBYEBAKRP-GJZGRUSLSA-N 1 0 386.315 3.373 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592426129 567337832 /nfs/dbraw/zinc/33/78/32/567337832.db2.gz JQEJEUYJQPRGLD-CYBMUJFWSA-N 1 0 383.246 3.154 10 5 GGBERO CCC[NH+]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435322605 567354771 /nfs/dbraw/zinc/35/47/71/567354771.db2.gz FGXYXEARXSFASZ-UHFFFAOYSA-N 1 0 385.262 3.225 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325163 567356061 /nfs/dbraw/zinc/35/60/61/567356061.db2.gz YUGXMUJICMSWRB-OCCSQVGLSA-N 1 0 397.273 3.414 10 5 GGBERO Cc1c(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325822 567356177 /nfs/dbraw/zinc/35/61/77/567356177.db2.gz CMCJTAMXXOAFJT-GFCCVEGCSA-N 1 0 399.289 3.471 10 5 GGBERO Cc1c(NC(=O)N2CC[NH+](CC3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435330578 567356231 /nfs/dbraw/zinc/35/62/31/567356231.db2.gz UNRCKIFOOLTMJP-UHFFFAOYSA-N 1 0 397.273 3.225 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000501080552 567362285 /nfs/dbraw/zinc/36/22/85/567362285.db2.gz DAYQHMGKZOPGMD-UHFFFAOYSA-N 1 0 383.246 3.106 10 5 GGBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501105839 567364583 /nfs/dbraw/zinc/36/45/83/567364583.db2.gz JNRMPTTWWKFKBO-KGLIPLIRSA-N 1 0 397.273 3.448 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000501090801 567364692 /nfs/dbraw/zinc/36/46/92/567364692.db2.gz AALSOSNAECQZQA-UHFFFAOYSA-N 1 0 397.273 3.496 10 5 GGBERO CC(C)[NH+]1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501085697 567364824 /nfs/dbraw/zinc/36/48/24/567364824.db2.gz SZSGAASMNQVCOO-UHFFFAOYSA-N 1 0 385.262 3.352 10 5 GGBERO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501125642 567367620 /nfs/dbraw/zinc/36/76/20/567367620.db2.gz RFWKNPSBKPVDIX-UHFFFAOYSA-N 1 0 397.273 3.353 10 5 GGBERO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070738 567384104 /nfs/dbraw/zinc/38/41/04/567384104.db2.gz PJBIZUDDYJEHBK-ZDUSSCGKSA-N 1 0 390.221 3.200 10 5 GGBERO CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000436342455 567420261 /nfs/dbraw/zinc/42/02/61/567420261.db2.gz IFGKRBFXDWGMSY-STQMWFEESA-N 1 0 376.404 3.025 10 5 GGBERO Cc1c(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000593763935 567439572 /nfs/dbraw/zinc/43/95/72/567439572.db2.gz SYURFUIJLLIQHT-ZBEGNZNMSA-N 1 0 397.273 3.258 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541200 567463744 /nfs/dbraw/zinc/46/37/44/567463744.db2.gz ABUSSBUDXXPFDH-CYBMUJFWSA-N 1 0 397.273 3.272 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541201 567463835 /nfs/dbraw/zinc/46/38/35/567463835.db2.gz ABUSSBUDXXPFDH-ZDUSSCGKSA-N 1 0 397.273 3.272 10 5 GGBERO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(F)(F)F ZINC000594451369 567475821 /nfs/dbraw/zinc/47/58/21/567475821.db2.gz SILDAZWUHQZZRG-ZDUSSCGKSA-N 1 0 377.388 3.249 10 5 GGBERO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000570408525 567482235 /nfs/dbraw/zinc/48/22/35/567482235.db2.gz SLYVMYNPYSDEDA-LBPRGKRZSA-N 1 0 385.262 3.224 10 5 GGBERO C[NH+](C)[C@H]1C[C@@H](CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000594591766 567488692 /nfs/dbraw/zinc/48/86/92/567488692.db2.gz JUGHNOJEEWDQLS-KLPPZKSPSA-N 1 0 379.258 3.080 10 5 GGBERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CS1(=O)=O ZINC000594978096 567531072 /nfs/dbraw/zinc/53/10/72/567531072.db2.gz XTPRWPIPZHVRQN-GXTWGEPZSA-N 1 0 380.491 3.379 10 5 GGBERO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000594983642 567533033 /nfs/dbraw/zinc/53/30/33/567533033.db2.gz HGWORLXPWRFNSX-QMTHXVAHSA-N 1 0 390.221 3.247 10 5 GGBERO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551879695 567540193 /nfs/dbraw/zinc/54/01/93/567540193.db2.gz FSOXHUDIPZYDLD-LLVKDONJSA-N 1 0 385.262 3.209 10 5 GGBERO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000596315609 567623093 /nfs/dbraw/zinc/62/30/93/567623093.db2.gz ZVGMBGBZGOOQQB-UHFFFAOYSA-N 1 0 399.289 3.055 10 5 GGBERO Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000596566017 567639984 /nfs/dbraw/zinc/63/99/84/567639984.db2.gz JYPALMMQLGZQMA-CYBMUJFWSA-N 1 0 386.290 3.213 10 5 GGBERO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000572993365 567679371 /nfs/dbraw/zinc/67/93/71/567679371.db2.gz ZYRSFAQAHDTHDT-CYBMUJFWSA-N 1 0 385.247 3.474 10 5 GGBERO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000572993366 567679672 /nfs/dbraw/zinc/67/96/72/567679672.db2.gz ZYRSFAQAHDTHDT-ZDUSSCGKSA-N 1 0 385.247 3.474 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597861919 567721206 /nfs/dbraw/zinc/72/12/06/567721206.db2.gz YCRQREYVWBVJCN-NSHDSACASA-N 1 0 384.274 3.268 10 5 GGBERO CC1(C)SC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554976883 567761699 /nfs/dbraw/zinc/76/16/99/567761699.db2.gz YCSLJLYWYLXVGC-NSHDSACASA-N 1 0 378.235 3.183 10 5 GGBERO Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000599161488 567807615 /nfs/dbraw/zinc/80/76/15/567807615.db2.gz YQBHSHOKRAABBA-UHFFFAOYSA-N 1 0 398.301 3.357 10 5 GGBERO COc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000048287967 570228071 /nfs/dbraw/zinc/22/80/71/570228071.db2.gz UGANMCUCLAPESX-LJQANCHMSA-N 1 0 383.448 3.273 10 5 GGBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000248097169 570440023 /nfs/dbraw/zinc/44/00/23/570440023.db2.gz YLRZWWHPSAQKQT-SJLPKXTDSA-N 1 0 396.403 3.260 10 5 GGBERO C[C@H](Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000252536876 570477987 /nfs/dbraw/zinc/47/79/87/570477987.db2.gz JRYVQVSWNRULKX-IPYPFGDCSA-N 1 0 387.402 3.305 10 5 GGBERO Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000007050243 570764701 /nfs/dbraw/zinc/76/47/01/570764701.db2.gz BUDDJYQOGCSQKD-AWEZNQCLSA-N 1 0 386.433 3.128 10 5 GGBERO C[C@@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2[N+](=O)[O-])C1 ZINC000012510640 570824690 /nfs/dbraw/zinc/82/46/90/570824690.db2.gz DMVOOXGHHWIZJY-OAHLLOKOSA-N 1 0 386.496 3.188 10 5 GGBERO CC[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000107535989 570974949 /nfs/dbraw/zinc/97/49/49/570974949.db2.gz COUVHWMTKHUUIE-GXTWGEPZSA-N 1 0 378.860 3.078 10 5 GGBERO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003178565 1398327254 /nfs/dbraw/zinc/32/72/54/1398327254.db2.gz YLRZWWHPSAQKQT-WMZOPIPTSA-N 1 0 396.403 3.260 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000045799540 1404207725 /nfs/dbraw/zinc/20/77/25/1404207725.db2.gz IFOPMLOSKVBIKB-UHFFFAOYSA-N 1 0 382.464 3.050 10 5 GGBERO CS(=O)(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070038737 1409743355 /nfs/dbraw/zinc/74/33/55/1409743355.db2.gz IFOWAKUWTVKBLH-LJQANCHMSA-N 1 0 395.525 3.011 10 5 GGBERO Cn1cc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123144751 1414652987 /nfs/dbraw/zinc/65/29/87/1414652987.db2.gz BMYMKUMJNTZVPD-UHFFFAOYSA-N 1 0 394.431 3.331 10 5 GGBERO C[NH+](C)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000264805365 1434156635 /nfs/dbraw/zinc/15/66/35/1434156635.db2.gz CVIJALYXNOUMHF-UHFFFAOYSA-N 1 0 377.828 3.119 10 5 GGBERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000865771501 1126116090 /nfs/dbraw/zinc/11/60/90/1126116090.db2.gz JEGOZYZMYUMNBH-LJQANCHMSA-N 1 0 392.839 3.198 10 5 GGBERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC001460855694 1126192159 /nfs/dbraw/zinc/19/21/59/1126192159.db2.gz CUMIQZBHTQHAFK-NRFANRHFSA-N 1 0 388.464 3.474 10 5 GGBERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460693199 1126191765 /nfs/dbraw/zinc/19/17/65/1126191765.db2.gz DIVNNYQAZSFROY-NRFANRHFSA-N 1 0 397.431 3.342 10 5 GGBERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC001473839607 1126199914 /nfs/dbraw/zinc/19/99/14/1126199914.db2.gz FPIYMQRTIUKWQL-LJQANCHMSA-N 1 0 394.855 3.349 10 5 GGBERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001656293076 1126257271 /nfs/dbraw/zinc/25/72/71/1126257271.db2.gz IUZHYANPSKAUMD-QGZVFWFLSA-N 1 0 379.800 3.240 10 5 GGBERO CC[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000089949221 136175799 /nfs/dbraw/zinc/17/57/99/136175799.db2.gz COUVHWMTKHUUIE-TZMCWYRMSA-N 1 0 378.860 3.078 10 5 GGBERO Cc1c([C@H](C)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)cccc1[N+](=O)[O-] ZINC000097165313 136188156 /nfs/dbraw/zinc/18/81/56/136188156.db2.gz VOESXDMJAOVBNY-KRWDZBQOSA-N 1 0 383.496 3.243 10 5 GGBERO Cc1c([C@@H](C)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)cccc1[N+](=O)[O-] ZINC000097165312 136188268 /nfs/dbraw/zinc/18/82/68/136188268.db2.gz VOESXDMJAOVBNY-QGZVFWFLSA-N 1 0 383.496 3.243 10 5 GGBERO CC(C)[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160453 221845192 /nfs/dbraw/zinc/84/51/92/221845192.db2.gz IRGGZJFJLWKJTH-CVEARBPZSA-N 1 0 392.456 3.108 10 5 GGBERO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084114697 222315155 /nfs/dbraw/zinc/31/51/55/222315155.db2.gz VGNWPLRCPJLGGN-GOSISDBHSA-N 1 0 383.452 3.025 10 5 GGBERO COCC[N@H+](C)C[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095944987 222362966 /nfs/dbraw/zinc/36/29/66/222362966.db2.gz PDEAYAVHGDKZMM-IBGZPJMESA-N 1 0 397.475 3.373 10 5 GGBERO Cc1c(Br)cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000119053652 564252993 /nfs/dbraw/zinc/25/29/93/564252993.db2.gz QRYVNOKXVXEKLU-UHFFFAOYSA-N 1 0 396.285 3.366 10 5 GGBERO CCC[NH+]1CCC(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000119782571 564288075 /nfs/dbraw/zinc/28/80/75/564288075.db2.gz PKMZUJPPMMJNQB-UHFFFAOYSA-N 1 0 384.274 3.209 10 5 GGBERO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000028920323 564365615 /nfs/dbraw/zinc/36/56/15/564365615.db2.gz WZJHLWJNNWZLBQ-LRDDRELGSA-N 1 0 395.253 3.448 10 5 GGBERO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000125111350 564503464 /nfs/dbraw/zinc/50/34/64/564503464.db2.gz WYGPYDAAAOZVOA-ZWNOBZJWSA-N 1 0 384.274 3.220 10 5 GGBERO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064243774 564727202 /nfs/dbraw/zinc/72/72/02/564727202.db2.gz NYIRUFHUUOABGE-AWEZNQCLSA-N 1 0 383.495 3.018 10 5 GGBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000131966914 564729827 /nfs/dbraw/zinc/72/98/27/564729827.db2.gz UUNCQRJFSYKFNT-MRXNPFEDSA-N 1 0 392.253 3.390 10 5 GGBERO COc1ccc([C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000096566792 564902164 /nfs/dbraw/zinc/90/21/64/564902164.db2.gz JCNDTRQBKLLGBN-OAHLLOKOSA-N 1 0 395.257 3.476 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000151796417 564937034 /nfs/dbraw/zinc/93/70/34/564937034.db2.gz SXVGCUSSFAVWQF-CQSZACIVSA-N 1 0 396.285 3.448 10 5 GGBERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000295192254 565250558 /nfs/dbraw/zinc/25/05/58/565250558.db2.gz JPKWPNPHYLJXRB-ZJUUUORDSA-N 1 0 396.296 3.005 10 5 GGBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000373603573 565294116 /nfs/dbraw/zinc/29/41/16/565294116.db2.gz JZMNXQLLOLFHBS-UHFFFAOYSA-N 1 0 382.258 3.104 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000375520503 565392860 /nfs/dbraw/zinc/39/28/60/565392860.db2.gz APXBLGMXTMKANI-ZDUSSCGKSA-N 1 0 383.246 3.059 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375540531 565394051 /nfs/dbraw/zinc/39/40/51/565394051.db2.gz NSHYGYYSTMKDER-YPMHNXCESA-N 1 0 383.246 3.106 10 5 GGBERO C[C@@H]1C[N@@H+](C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301178210 565470807 /nfs/dbraw/zinc/47/08/07/565470807.db2.gz MDDVXKJJOOJOEH-GFCCVEGCSA-N 1 0 384.274 3.047 10 5 GGBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301739578 565508101 /nfs/dbraw/zinc/50/81/01/565508101.db2.gz JTJQHPLEHZOJNF-OAHLLOKOSA-N 1 0 398.301 3.439 10 5 GGBERO O=[N+]([O-])c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(Br)c1 ZINC000301800978 565510537 /nfs/dbraw/zinc/51/05/37/565510537.db2.gz CCIBRDWFUFCISC-OAHLLOKOSA-N 1 0 398.301 3.439 10 5 GGBERO O=[N+]([O-])c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Br)c1 ZINC000301800976 565511246 /nfs/dbraw/zinc/51/12/46/565511246.db2.gz CCIBRDWFUFCISC-HNNXBMFYSA-N 1 0 398.301 3.439 10 5 GGBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000278022466 565534646 /nfs/dbraw/zinc/53/46/46/565534646.db2.gz QCZDRORORZDXAN-NXEZZACHSA-N 1 0 390.303 3.221 10 5 GGBERO C[N@@H+]1CC[C@@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000408145838 565597403 /nfs/dbraw/zinc/59/74/03/565597403.db2.gz LBCALODKAYKEDE-BDJLRTHQSA-N 1 0 391.269 3.436 10 5 GGBERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383963 565606101 /nfs/dbraw/zinc/60/61/01/565606101.db2.gz FAGSIBVSWCGLGK-DGCLKSJQSA-N 1 0 382.258 3.056 10 5 GGBERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383965 565606214 /nfs/dbraw/zinc/60/62/14/565606214.db2.gz FAGSIBVSWCGLGK-WCQYABFASA-N 1 0 382.258 3.056 10 5 GGBERO Cc1c(NC(=O)NC2CC[NH+](C3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280677587 565688503 /nfs/dbraw/zinc/68/85/03/565688503.db2.gz FNMWGQSCBFRCQT-UHFFFAOYSA-N 1 0 397.273 3.414 10 5 GGBERO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(Br)c1O ZINC000194414591 565814149 /nfs/dbraw/zinc/81/41/49/565814149.db2.gz ZIHDCZCFYDXRPC-UHFFFAOYSA-N 1 0 381.226 3.404 10 5 GGBERO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000413225414 565840765 /nfs/dbraw/zinc/84/07/65/565840765.db2.gz GQTTTYXVLJXHFF-STQMWFEESA-N 1 0 376.404 3.025 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000284401693 565852906 /nfs/dbraw/zinc/85/29/06/565852906.db2.gz QQOVCCPNEDFGAP-JQWIXIFHSA-N 1 0 384.274 3.220 10 5 GGBERO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123533 565888843 /nfs/dbraw/zinc/88/88/43/565888843.db2.gz LDCXPDZBCYGBCG-MEBBXXQBSA-N 1 0 380.242 3.324 10 5 GGBERO COc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000286636996 565971951 /nfs/dbraw/zinc/97/19/51/565971951.db2.gz SUUDOLNJVUDEDQ-QGZVFWFLSA-N 1 0 395.253 3.363 10 5 GGBERO C[C@@](CO)(NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1 ZINC000286670384 565973718 /nfs/dbraw/zinc/97/37/18/565973718.db2.gz VAYPWBAQVMJMTR-INIZCTEOSA-N 1 0 383.217 3.494 10 5 GGBERO Cc1c(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415647959 566010980 /nfs/dbraw/zinc/01/09/80/566010980.db2.gz AZYQKHRIQXJMDU-LBPRGKRZSA-N 1 0 383.246 3.024 10 5 GGBERO Cc1c(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415647498 566010994 /nfs/dbraw/zinc/01/09/94/566010994.db2.gz APJPCOBWVRUTTC-HNNXBMFYSA-N 1 0 385.262 3.177 10 5 GGBERO Cc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000415653323 566011498 /nfs/dbraw/zinc/01/14/98/566011498.db2.gz IHFTXJYIZOTYKI-FUNVUKJBSA-N 1 0 397.273 3.412 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656035 566011823 /nfs/dbraw/zinc/01/18/23/566011823.db2.gz KZRYVQFAVQAWJX-WDEREUQCSA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656269 566011947 /nfs/dbraw/zinc/01/19/47/566011947.db2.gz LDHHYOBEEQYAAX-NTZNESFSSA-N 1 0 397.273 3.175 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415656031 566011979 /nfs/dbraw/zinc/01/19/79/566011979.db2.gz KZRYVQFAVQAWJX-MNOVXSKESA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415658297 566012152 /nfs/dbraw/zinc/01/21/52/566012152.db2.gz NMKWZNCISUMYBR-LKFCYVNXSA-N 1 0 385.262 3.257 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415706237 566014440 /nfs/dbraw/zinc/01/44/40/566014440.db2.gz UOIYIAMSJCIWKS-NWDGAFQWSA-N 1 0 397.273 3.211 10 5 GGBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000246173100 566019986 /nfs/dbraw/zinc/01/99/86/566019986.db2.gz LPNZXFULJUIRBG-LRDDRELGSA-N 1 0 398.301 3.089 10 5 GGBERO C[C@H]([NH3+])C1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000261728229 566130521 /nfs/dbraw/zinc/13/05/21/566130521.db2.gz MNZCWBZOMYHBPJ-JTQLQIEISA-N 1 0 379.258 3.469 10 5 GGBERO C[C@@H]([NH3+])[C@@H]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000261754669 566133726 /nfs/dbraw/zinc/13/37/26/566133726.db2.gz PIADKZZKKFMFMN-GHMZBOCLSA-N 1 0 379.258 3.469 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261867917 566138560 /nfs/dbraw/zinc/13/85/60/566138560.db2.gz LAGOBVAPYULWFK-ZWNOBZJWSA-N 1 0 377.242 3.094 10 5 GGBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261919533 566140064 /nfs/dbraw/zinc/14/00/64/566140064.db2.gz RJCIVAVDMZDLQV-INIZCTEOSA-N 1 0 377.242 3.095 10 5 GGBERO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766863 566167926 /nfs/dbraw/zinc/16/79/26/566167926.db2.gz MQIFRXWUIKMAGJ-CHWSQXEVSA-N 1 0 397.273 3.414 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766868 566168477 /nfs/dbraw/zinc/16/84/77/566168477.db2.gz MQIFRXWUIKMAGJ-STQMWFEESA-N 1 0 397.273 3.414 10 5 GGBERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182205930 566189226 /nfs/dbraw/zinc/18/92/26/566189226.db2.gz SKEOOJDNTUHZLA-SWLSCSKDSA-N 1 0 395.253 3.448 10 5 GGBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000182205947 566189495 /nfs/dbraw/zinc/18/94/95/566189495.db2.gz SKEOOJDNTUHZLA-IUODEOHRSA-N 1 0 395.253 3.448 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000182617500 566215885 /nfs/dbraw/zinc/21/58/85/566215885.db2.gz CMRKQKSAFMLGQU-UHFFFAOYSA-N 1 0 383.901 3.427 10 5 GGBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000183452096 566247564 /nfs/dbraw/zinc/24/75/64/566247564.db2.gz WXLCMGRZJMUPKI-UHFFFAOYSA-N 1 0 392.253 3.185 10 5 GGBERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651977 566284171 /nfs/dbraw/zinc/28/41/71/566284171.db2.gz JYLVZUWWTBKSMW-OCCSQVGLSA-N 1 0 379.258 3.432 10 5 GGBERO C[NH+](C)CC1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599723244 566291438 /nfs/dbraw/zinc/29/14/38/566291438.db2.gz UPNRKAAXNMKHNZ-UHFFFAOYSA-N 1 0 384.274 3.208 10 5 GGBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599862516 566300994 /nfs/dbraw/zinc/30/09/94/566300994.db2.gz SNMMKMHEBMUKOO-UHFFFAOYSA-N 1 0 382.258 3.104 10 5 GGBERO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445879376 566317098 /nfs/dbraw/zinc/31/70/98/566317098.db2.gz FXHQKDLKISSDMF-CQSZACIVSA-N 1 0 381.230 3.009 10 5 GGBERO Cc1c(Br)cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000509638143 566322555 /nfs/dbraw/zinc/32/25/55/566322555.db2.gz IRZCDJWLEFHPNK-LLVKDONJSA-N 1 0 384.274 3.270 10 5 GGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446049739 566325920 /nfs/dbraw/zinc/32/59/20/566325920.db2.gz CHHCLTGQDRXKOE-CHWSQXEVSA-N 1 0 398.301 3.279 10 5 GGBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600230126 566326172 /nfs/dbraw/zinc/32/61/72/566326172.db2.gz ZWTVXZATDYDYDZ-AWEZNQCLSA-N 1 0 396.285 3.494 10 5 GGBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000600470845 566339945 /nfs/dbraw/zinc/33/99/45/566339945.db2.gz IRULIQQIGFRWIF-HNNXBMFYSA-N 1 0 383.235 3.329 10 5 GGBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600473195 566340226 /nfs/dbraw/zinc/34/02/26/566340226.db2.gz ULPHWWLNBORKHC-HNNXBMFYSA-N 1 0 396.285 3.033 10 5 GGBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600473197 566340671 /nfs/dbraw/zinc/34/06/71/566340671.db2.gz UMNLVVZOPXEACE-CYBMUJFWSA-N 1 0 382.258 3.104 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600472290 566340726 /nfs/dbraw/zinc/34/07/26/566340726.db2.gz NVWSGMVWEQUKML-CQSZACIVSA-N 1 0 383.901 3.473 10 5 GGBERO C[NH+](C)C1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000421108634 566345459 /nfs/dbraw/zinc/34/54/59/566345459.db2.gz KRQLBGVGNZLNAA-UHFFFAOYSA-N 1 0 385.262 3.352 10 5 GGBERO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000462709883 566346423 /nfs/dbraw/zinc/34/64/23/566346423.db2.gz DOKRRKDZZPNXEC-CYBMUJFWSA-N 1 0 389.905 3.052 10 5 GGBERO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000601174601 566393597 /nfs/dbraw/zinc/39/35/97/566393597.db2.gz XKLDFIPEVCDNAN-CYBMUJFWSA-N 1 0 398.204 3.021 10 5 GGBERO C[C@](CO)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000511566033 566473413 /nfs/dbraw/zinc/47/34/13/566473413.db2.gz VGQVBJNHCOYHPB-QGZVFWFLSA-N 1 0 395.253 3.233 10 5 GGBERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000485433661 566497591 /nfs/dbraw/zinc/49/75/91/566497591.db2.gz RCXSBPBDLKZBEK-NHYWBVRUSA-N 1 0 397.273 3.448 10 5 GGBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423980779 566501099 /nfs/dbraw/zinc/50/10/99/566501099.db2.gz SKTMXCSJNWCBAJ-OCCSQVGLSA-N 1 0 383.901 3.331 10 5 GGBERO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1(S(C)(=O)=O)CC1 ZINC000512894566 566568274 /nfs/dbraw/zinc/56/82/74/566568274.db2.gz KWCJDKGZMZGUHV-GFCCVEGCSA-N 1 0 380.491 3.379 10 5 GGBERO Cc1cccnc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449489677 566570290 /nfs/dbraw/zinc/57/02/90/566570290.db2.gz AODYVVRKZXVEEL-UHFFFAOYSA-N 1 0 397.216 3.235 10 5 GGBERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559916968 566576039 /nfs/dbraw/zinc/57/60/39/566576039.db2.gz OFNZYWDPPAINRN-RYUDHWBXSA-N 1 0 380.242 3.258 10 5 GGBERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000559916966 566576418 /nfs/dbraw/zinc/57/64/18/566576418.db2.gz OFNZYWDPPAINRN-NEPJUHHUSA-N 1 0 380.242 3.258 10 5 GGBERO C[NH+](C)Cc1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000560798659 566659685 /nfs/dbraw/zinc/65/96/85/566659685.db2.gz VYNWNNPRACKNSN-UHFFFAOYSA-N 1 0 379.214 3.066 10 5 GGBERO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000467792033 566668069 /nfs/dbraw/zinc/66/80/69/566668069.db2.gz ZNBNGJFVWDMUBE-UHFFFAOYSA-N 1 0 391.921 3.344 10 5 GGBERO Cc1nn(C)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Br ZINC000515249602 566701004 /nfs/dbraw/zinc/70/10/04/566701004.db2.gz LGHVVOROUYGYCK-UHFFFAOYSA-N 1 0 392.257 3.213 10 5 GGBERO Cc1c(Br)c(N2CCC(C[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000541591049 566737018 /nfs/dbraw/zinc/73/70/18/566737018.db2.gz KSIISYIWZWJEIT-UHFFFAOYSA-N 1 0 383.290 3.373 10 5 GGBERO Cc1c(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cccc1[N+](=O)[O-] ZINC000581621789 566794211 /nfs/dbraw/zinc/79/42/11/566794211.db2.gz HCEICAAOUGZVND-LLVKDONJSA-N 1 0 380.242 3.006 10 5 GGBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610064369 566802368 /nfs/dbraw/zinc/80/23/68/566802368.db2.gz DAXMCFBWWOCRNH-VXGBXAGGSA-N 1 0 384.274 3.350 10 5 GGBERO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000610518995 566840333 /nfs/dbraw/zinc/84/03/33/566840333.db2.gz OPEJZUOLXJKNSY-INIZCTEOSA-N 1 0 399.241 3.104 10 5 GGBERO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000610518996 566840366 /nfs/dbraw/zinc/84/03/66/566840366.db2.gz OPEJZUOLXJKNSY-MRXNPFEDSA-N 1 0 399.241 3.104 10 5 GGBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570819 566844110 /nfs/dbraw/zinc/84/41/10/566844110.db2.gz RSHOQOYWSWVVOA-UHFFFAOYSA-N 1 0 388.181 3.190 10 5 GGBERO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000521636748 567070718 /nfs/dbraw/zinc/07/07/18/567070718.db2.gz NOKSZBIEOUBZNK-UHFFFAOYSA-N 1 0 389.905 3.099 10 5 GGBERO Cn1cc(Br)c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000453308302 567074548 /nfs/dbraw/zinc/07/45/48/567074548.db2.gz NDTADMHBBISMEB-CQSZACIVSA-N 1 0 379.258 3.202 10 5 GGBERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589266421 567171782 /nfs/dbraw/zinc/17/17/82/567171782.db2.gz QTFJSJCWEYQNEJ-KBPBESRZSA-N 1 0 390.221 3.247 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590547744 567232290 /nfs/dbraw/zinc/23/22/90/567232290.db2.gz AENZIGUQMSOPDN-UHFFFAOYSA-N 1 0 396.285 3.224 10 5 GGBERO CC[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591304520 567273216 /nfs/dbraw/zinc/27/32/16/567273216.db2.gz INDZOMQZYBNEFT-PWSUYJOCSA-N 1 0 385.262 3.257 10 5 GGBERO Cc1c(NC(=O)NCC2=CC[N@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435321964 567355306 /nfs/dbraw/zinc/35/53/06/567355306.db2.gz ZRCXWTSIHRAQOF-UHFFFAOYSA-N 1 0 383.246 3.049 10 5 GGBERO Cc1c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325866 567356295 /nfs/dbraw/zinc/35/62/95/567356295.db2.gz BEJSAWXIGLXJKY-GHMZBOCLSA-N 1 0 385.262 3.222 10 5 GGBERO Cc1c(NC(=O)N2CC[NH+](C(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324415 567356404 /nfs/dbraw/zinc/35/64/04/567356404.db2.gz WKYTYTCXMOTDAC-UHFFFAOYSA-N 1 0 385.262 3.224 10 5 GGBERO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325162 567356465 /nfs/dbraw/zinc/35/64/65/567356465.db2.gz YUGXMUJICMSWRB-JSGCOSHPSA-N 1 0 397.273 3.414 10 5 GGBERO Cc1c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325867 567356491 /nfs/dbraw/zinc/35/64/91/567356491.db2.gz BEJSAWXIGLXJKY-MNOVXSKESA-N 1 0 385.262 3.222 10 5 GGBERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435326395 567356730 /nfs/dbraw/zinc/35/67/30/567356730.db2.gz DHILHEQTUWLQLD-LLVKDONJSA-N 1 0 385.262 3.129 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000501105231 567364172 /nfs/dbraw/zinc/36/41/72/567364172.db2.gz IORXANSFNLMGLA-UHFFFAOYSA-N 1 0 383.246 3.059 10 5 GGBERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501086790 567364212 /nfs/dbraw/zinc/36/42/12/567364212.db2.gz XFRURNZBCVRHOQ-LLVKDONJSA-N 1 0 385.262 3.163 10 5 GGBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000501107999 567365544 /nfs/dbraw/zinc/36/55/44/567365544.db2.gz OJQLRQKEOOLOOI-CQSZACIVSA-N 1 0 397.273 3.449 10 5 GGBERO CC(C)[N@@H+]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501107279 567365827 /nfs/dbraw/zinc/36/58/27/567365827.db2.gz MZRPJLYWOWTOPK-UHFFFAOYSA-N 1 0 385.262 3.305 10 5 GGBERO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501118328 567366038 /nfs/dbraw/zinc/36/60/38/567366038.db2.gz FBISVYDPMWUMES-UHFFFAOYSA-N 1 0 385.262 3.352 10 5 GGBERO C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000501121925 567367201 /nfs/dbraw/zinc/36/72/01/567367201.db2.gz ZKEPURQTPIWYRI-JTQLQIEISA-N 1 0 383.246 3.129 10 5 GGBERO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCc2ccccn2)c1 ZINC000569293438 567394180 /nfs/dbraw/zinc/39/41/80/567394180.db2.gz AWBCODALKVSMTB-UHFFFAOYSA-N 1 0 397.216 3.317 10 5 GGBERO CO[C@H](C)C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000569771022 567431162 /nfs/dbraw/zinc/43/11/62/567431162.db2.gz VXTNWXOJDUWAIN-LLVKDONJSA-N 1 0 392.237 3.445 10 5 GGBERO CO[C@@H](C)C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000569771023 567431748 /nfs/dbraw/zinc/43/17/48/567431748.db2.gz VXTNWXOJDUWAIN-NSHDSACASA-N 1 0 392.237 3.445 10 5 GGBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000619451628 567454726 /nfs/dbraw/zinc/45/47/26/567454726.db2.gz GMCBVHKDZKTSHN-UHFFFAOYSA-N 1 0 382.258 3.104 10 5 GGBERO Cc1c(NC(=O)N(C)CCCC[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000619541213 567463902 /nfs/dbraw/zinc/46/39/02/567463902.db2.gz GKNXABCDCYVPFM-UHFFFAOYSA-N 1 0 387.278 3.471 10 5 GGBERO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)O1 ZINC000594983640 567532719 /nfs/dbraw/zinc/53/27/19/567532719.db2.gz HGWORLXPWRFNSX-HZMBPMFUSA-N 1 0 390.221 3.247 10 5 GGBERO CC1(C)OCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594996610 567532910 /nfs/dbraw/zinc/53/29/10/567532910.db2.gz TYZKSGSIYVZHDG-NSHDSACASA-N 1 0 390.221 3.104 10 5 GGBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000571586571 567572861 /nfs/dbraw/zinc/57/28/61/567572861.db2.gz OLXMMUJKJDNJKC-HNNXBMFYSA-N 1 0 399.216 3.026 10 5 GGBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595635778 567574996 /nfs/dbraw/zinc/57/49/96/567574996.db2.gz WRSWFJYXWUESKM-DFBGVHRSSA-N 1 0 387.274 3.013 10 5 GGBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595635780 567575028 /nfs/dbraw/zinc/57/50/28/567575028.db2.gz WRSWFJYXWUESKM-KCPJHIHWSA-N 1 0 387.274 3.013 10 5 GGBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595635779 567575200 /nfs/dbraw/zinc/57/52/00/567575200.db2.gz WRSWFJYXWUESKM-GLQYFDAESA-N 1 0 387.274 3.013 10 5 GGBERO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935462 567594373 /nfs/dbraw/zinc/59/43/73/567594373.db2.gz DNAGAWKALCVUEY-CYBMUJFWSA-N 1 0 396.285 3.209 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595933630 567594827 /nfs/dbraw/zinc/59/48/27/567594827.db2.gz IYTZCQRFICFPHR-CYBMUJFWSA-N 1 0 396.285 3.209 10 5 GGBERO [NH3+][C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1F ZINC000596104577 567607901 /nfs/dbraw/zinc/60/79/01/567607901.db2.gz GKEQBUVQCHHECR-HUUCEWRRSA-N 1 0 398.232 3.488 10 5 GGBERO CC[NH+](CC)[C@H](C)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000572051459 567610428 /nfs/dbraw/zinc/61/04/28/567610428.db2.gz ISSIDZZYSLJJCH-LLVKDONJSA-N 1 0 391.253 3.019 10 5 GGBERO COc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c(Cl)cc1[N+](=O)[O-] ZINC000596132555 567611248 /nfs/dbraw/zinc/61/12/48/567611248.db2.gz ZIBLUYWMUIKDFS-VIFPVBQESA-N 1 0 383.861 3.004 10 5 GGBERO COC(=O)c1c(Cl)c(NCC2(SC)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596238942 567617194 /nfs/dbraw/zinc/61/71/94/567617194.db2.gz SSSCWZVMQBHFBX-UHFFFAOYSA-N 1 0 387.889 3.274 10 5 GGBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(CCO)C3)o2)c(Br)c1 ZINC000459593274 567641623 /nfs/dbraw/zinc/64/16/23/567641623.db2.gz NXFPVOGIQWJWOQ-UHFFFAOYSA-N 1 0 381.226 3.432 10 5 GGBERO COc1c[nH+]ccc1N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000481035674 567653174 /nfs/dbraw/zinc/65/31/74/567653174.db2.gz HWROXYBRUBUESC-UHFFFAOYSA-N 1 0 393.241 3.088 10 5 GGBERO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000596889880 567662536 /nfs/dbraw/zinc/66/25/36/567662536.db2.gz ZXRBLFFVEHABMW-LBPRGKRZSA-N 1 0 385.262 3.224 10 5 GGBERO C[NH+](C)[C@@H](CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)c1cccs1 ZINC000597095002 567680803 /nfs/dbraw/zinc/68/08/03/567680803.db2.gz UVKXQWUFWGTJDK-LBPRGKRZSA-N 1 0 383.861 3.316 10 5 GGBERO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597861917 567720604 /nfs/dbraw/zinc/72/06/04/567720604.db2.gz YCRQREYVWBVJCN-LLVKDONJSA-N 1 0 384.274 3.268 10 5 GGBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000048342407 570239467 /nfs/dbraw/zinc/23/94/67/570239467.db2.gz DSMRWLWYMUIXNM-UHFFFAOYSA-N 1 0 391.493 3.222 10 5 GGBERO CC(C)[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160445 570555842 /nfs/dbraw/zinc/55/58/42/570555842.db2.gz IRGGZJFJLWKJTH-HOTGVXAUSA-N 1 0 392.456 3.108 10 5 GGBERO CC(C)[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000036160449 570555906 /nfs/dbraw/zinc/55/59/06/570555906.db2.gz IRGGZJFJLWKJTH-JKSUJKDBSA-N 1 0 392.456 3.108 10 5 GGBERO C[N@@H+](Cc1ccccc1N1CCCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025301850 570746845 /nfs/dbraw/zinc/74/68/45/570746845.db2.gz XHNGEMPKEBVBHU-HXUWFJFHSA-N 1 0 399.491 3.457 10 5 GGBERO NC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583623193 570801351 /nfs/dbraw/zinc/80/13/51/570801351.db2.gz WZBQWJJYRFUYCA-AWEZNQCLSA-N 1 0 395.419 3.056 10 5 GGBERO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)NCc1ccco1)[n+]1ccccc1 ZINC000003377707 1398338757 /nfs/dbraw/zinc/33/87/57/1398338757.db2.gz CDDZTPCBLMJLAO-UHFFFAOYSA-O 1 0 382.421 3.476 10 5 GGBERO COc1cc(C[NH2+]CCc2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000069786656 1409699560 /nfs/dbraw/zinc/69/95/60/1409699560.db2.gz HBKWKLBEKNGHOT-UHFFFAOYSA-N 1 0 396.447 3.248 10 5 GGBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000127771293 1415847650 /nfs/dbraw/zinc/84/76/50/1415847650.db2.gz GRZONLGYDLVWDX-UHFFFAOYSA-N 1 0 386.452 3.474 10 5 GGBERO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000153430303 1422532118 /nfs/dbraw/zinc/53/21/18/1422532118.db2.gz HRYIGFULQTVLLP-AWEZNQCLSA-N 1 0 392.477 3.389 10 5 GGBERO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)cc1 ZINC000180828491 1430061270 /nfs/dbraw/zinc/06/12/70/1430061270.db2.gz HOPAFEBCUXQDEI-OAHLLOKOSA-N 1 0 379.420 3.460 10 5 GGBERO COc1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000187570379 1431770290 /nfs/dbraw/zinc/77/02/90/1431770290.db2.gz CAQLHHXOFAMLGV-UHFFFAOYSA-N 1 0 385.342 3.272 10 5 GGBERO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245732781 1433507410 /nfs/dbraw/zinc/50/74/10/1433507410.db2.gz FIUAPVCNGFOMBO-DNVCBOLYSA-N 1 0 380.452 3.275 10 5 GGBERO