smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001197298278 1126154114 /nfs/dbraw/zinc/15/41/14/1126154114.db2.gz WBKUEFYLEQLHAY-DOTOQJQBSA-N 1 1 394.353 3.095 10 5 GGBEMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001308037759 1126162381 /nfs/dbraw/zinc/16/23/81/1126162381.db2.gz GCUWMEAWBNFEFC-RHSMWYFYSA-N 1 1 395.337 3.360 10 5 GGBEMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001308037760 1126162471 /nfs/dbraw/zinc/16/24/71/1126162471.db2.gz GCUWMEAWBNFEFC-WMLDXEAASA-N 1 1 395.337 3.360 10 5 GGBEMO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942741 1126263721 /nfs/dbraw/zinc/26/37/21/1126263721.db2.gz BMJLIIDTGPNJHE-GDBMZVCRSA-N 1 1 399.325 3.127 10 5 GGBEMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000006155644 204168922 /nfs/dbraw/zinc/16/89/22/204168922.db2.gz BQDARVMMLHFSHL-UHFFFAOYSA-N 1 1 387.436 3.381 10 5 GGBEMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 ZINC000006155644 204168927 /nfs/dbraw/zinc/16/89/27/204168927.db2.gz BQDARVMMLHFSHL-UHFFFAOYSA-N 1 1 387.436 3.381 10 5 GGBEMO O=[N+]([O-])c1ccc(CNCc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000119722915 564285206 /nfs/dbraw/zinc/28/52/06/564285206.db2.gz OQJKCERKSNEOHA-UHFFFAOYSA-N 1 1 388.225 3.432 10 5 GGBEMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000119889058 564292497 /nfs/dbraw/zinc/29/24/97/564292497.db2.gz XKSCOGMLYVBSOE-UHFFFAOYSA-N 1 1 384.274 3.352 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122487412 564416470 /nfs/dbraw/zinc/41/64/70/564416470.db2.gz VLYFDQKKJIRRIH-BXUZGUMPSA-N 1 1 384.274 3.160 10 5 GGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123645166 564456039 /nfs/dbraw/zinc/45/60/39/564456039.db2.gz GGBTVPYTDGNFLH-AWEZNQCLSA-N 1 1 393.241 3.167 10 5 GGBEMO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000125111612 564503620 /nfs/dbraw/zinc/50/36/20/564503620.db2.gz WYGPYDAAAOZVOA-MFKMUULPSA-N 1 1 384.274 3.220 10 5 GGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126037430 564535010 /nfs/dbraw/zinc/53/50/10/564535010.db2.gz CMOJLOPJFRLPAC-ZIAGYGMSSA-N 1 1 396.285 3.365 10 5 GGBEMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000128087194 564606275 /nfs/dbraw/zinc/60/62/75/564606275.db2.gz VULGQODXZTYEIL-UHFFFAOYSA-N 1 1 398.301 3.281 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000130719885 564690994 /nfs/dbraw/zinc/69/09/94/564690994.db2.gz RUEDNIHNENQTMO-IAQYHMDHSA-N 1 1 384.274 3.160 10 5 GGBEMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000066000397 564754011 /nfs/dbraw/zinc/75/40/11/564754011.db2.gz UPMIORZITYEBGE-LBPRGKRZSA-N 1 1 389.524 3.079 10 5 GGBEMO CC[N@H+]1CCC[C@@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482907 564902262 /nfs/dbraw/zinc/90/22/62/564902262.db2.gz LCZUIRPMAUETLK-LLVKDONJSA-N 1 1 375.210 3.096 10 5 GGBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151623409 564930370 /nfs/dbraw/zinc/93/03/70/564930370.db2.gz BRGDPLHTDGDKRH-VIFPVBQESA-N 1 1 390.665 3.082 10 5 GGBEMO O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308364 565185640 /nfs/dbraw/zinc/18/56/40/565185640.db2.gz NRUCBDVDHLTGJG-MRVPVSSYSA-N 1 1 399.632 3.021 10 5 GGBEMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000295192250 565250261 /nfs/dbraw/zinc/25/02/61/565250261.db2.gz JPKWPNPHYLJXRB-UWVGGRQHSA-N 1 1 396.296 3.005 10 5 GGBEMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000295192248 565250437 /nfs/dbraw/zinc/25/04/37/565250437.db2.gz JPKWPNPHYLJXRB-NXEZZACHSA-N 1 1 396.296 3.005 10 5 GGBEMO CCC[N@H+]1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000301393508 565482994 /nfs/dbraw/zinc/48/29/94/565482994.db2.gz JIHAHNZGBQNARV-UHFFFAOYSA-N 1 1 389.237 3.122 10 5 GGBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190554453 565541468 /nfs/dbraw/zinc/54/14/68/565541468.db2.gz QVGHHULFWFLDNT-GFCCVEGCSA-N 1 1 380.495 3.015 10 5 GGBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190550824 565541759 /nfs/dbraw/zinc/54/17/59/565541759.db2.gz RBZHNPWIDBWVMP-LBPRGKRZSA-N 1 1 380.495 3.015 10 5 GGBEMO C[N@H+]1CC[C@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000408145840 565596724 /nfs/dbraw/zinc/59/67/24/565596724.db2.gz LBCALODKAYKEDE-MEDUHNTESA-N 1 1 391.269 3.436 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000192347217 565682616 /nfs/dbraw/zinc/68/26/16/565682616.db2.gz LQCJXCQDOUKMHB-DGCLKSJQSA-N 1 1 384.274 3.160 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@H](C)C1 ZINC000330477744 565708717 /nfs/dbraw/zinc/70/87/17/565708717.db2.gz WRSHROYMVCHSJU-BDJLRTHQSA-N 1 1 398.301 3.468 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000284401702 565852956 /nfs/dbraw/zinc/85/29/56/565852956.db2.gz QQOVCCPNEDFGAP-ZYHUDNBSSA-N 1 1 384.274 3.220 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245512645 565993159 /nfs/dbraw/zinc/99/31/59/565993159.db2.gz NWADBXUCILMBJP-NHYWBVRUSA-N 1 1 398.301 3.468 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000246173089 566020244 /nfs/dbraw/zinc/02/02/44/566020244.db2.gz LPNZXFULJUIRBG-BLLLJJGKSA-N 1 1 398.301 3.089 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247078653 566051280 /nfs/dbraw/zinc/05/12/80/566051280.db2.gz QGXATPDPVXRDRT-SMDDNHRTSA-N 1 1 384.274 3.160 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247078643 566051666 /nfs/dbraw/zinc/05/16/66/566051666.db2.gz QGXATPDPVXRDRT-FZMZJTMJSA-N 1 1 384.274 3.160 10 5 GGBEMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766865 566168072 /nfs/dbraw/zinc/16/80/72/566168072.db2.gz MQIFRXWUIKMAGJ-OLZOCXBDSA-N 1 1 397.273 3.414 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000366933392 566176455 /nfs/dbraw/zinc/17/64/55/566176455.db2.gz LGZWQVBTGPITGC-UHFFFAOYSA-N 1 1 393.241 3.409 10 5 GGBEMO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599573093 566276164 /nfs/dbraw/zinc/27/61/64/566276164.db2.gz MDBJCOAZYOIXDR-AWEZNQCLSA-N 1 1 395.257 3.400 10 5 GGBEMO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599573093 566276171 /nfs/dbraw/zinc/27/61/71/566276171.db2.gz MDBJCOAZYOIXDR-AWEZNQCLSA-N 1 1 395.257 3.400 10 5 GGBEMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462313933 566281384 /nfs/dbraw/zinc/28/13/84/566281384.db2.gz MGKNDKWIRHYZNA-ONGXEEELSA-N 1 1 396.296 3.005 10 5 GGBEMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462313932 566281531 /nfs/dbraw/zinc/28/15/31/566281531.db2.gz MGKNDKWIRHYZNA-MWLCHTKSSA-N 1 1 396.296 3.005 10 5 GGBEMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653883 566284027 /nfs/dbraw/zinc/28/40/27/566284027.db2.gz WNTSHHJJEYHNSR-JSGCOSHPSA-N 1 1 379.258 3.432 10 5 GGBEMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653882 566284915 /nfs/dbraw/zinc/28/49/15/566284915.db2.gz WNTSHHJJEYHNSR-GXTWGEPZSA-N 1 1 379.258 3.432 10 5 GGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000600229549 566326508 /nfs/dbraw/zinc/32/65/08/566326508.db2.gz VPDLHUOJEBHQDA-CQSZACIVSA-N 1 1 396.285 3.494 10 5 GGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600473130 566340019 /nfs/dbraw/zinc/34/00/19/566340019.db2.gz RHNZONHOAQZUPN-CQSZACIVSA-N 1 1 382.258 3.104 10 5 GGBEMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600473196 566340279 /nfs/dbraw/zinc/34/02/79/566340279.db2.gz ULPHWWLNBORKHC-OAHLLOKOSA-N 1 1 396.285 3.033 10 5 GGBEMO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000462709885 566345693 /nfs/dbraw/zinc/34/56/93/566345693.db2.gz DOKRRKDZZPNXEC-ZDUSSCGKSA-N 1 1 389.905 3.052 10 5 GGBEMO Cc1c(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000421114898 566346823 /nfs/dbraw/zinc/34/68/23/566346823.db2.gz GTBCOGYYKKLHND-LBPRGKRZSA-N 1 1 385.262 3.224 10 5 GGBEMO COc1c(Br)cccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149352 566393242 /nfs/dbraw/zinc/39/32/42/566393242.db2.gz LWLUKKFPKUYUHV-QGZVFWFLSA-N 1 1 395.253 3.363 10 5 GGBEMO COc1c(Br)cccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149351 566394143 /nfs/dbraw/zinc/39/41/43/566394143.db2.gz LWLUKKFPKUYUHV-KRWDZBQOSA-N 1 1 395.253 3.363 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511547908 566469746 /nfs/dbraw/zinc/46/97/46/566469746.db2.gz WCRVOTVZKRVJCR-KRWDZBQOSA-N 1 1 395.253 3.363 10 5 GGBEMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1CCS(=O)(=O)C1 ZINC000538718109 566530002 /nfs/dbraw/zinc/53/00/02/566530002.db2.gz VWGHMSDQBQAAKQ-CYBMUJFWSA-N 1 1 380.491 3.190 10 5 GGBEMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1CCS(=O)(=O)C1 ZINC000538718109 566530006 /nfs/dbraw/zinc/53/00/06/566530006.db2.gz VWGHMSDQBQAAKQ-CYBMUJFWSA-N 1 1 380.491 3.190 10 5 GGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000541771313 566746750 /nfs/dbraw/zinc/74/67/50/566746750.db2.gz KQYVSPNRRSYRSR-UHFFFAOYSA-N 1 1 391.269 3.383 10 5 GGBEMO 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 566810613 /nfs/dbraw/zinc/81/06/13/566810613.db2.gz AUIBGBFZGMAUOR-WCQYABFASA-N 1 1 389.905 3.050 10 5 GGBEMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455402006 567271156 /nfs/dbraw/zinc/27/11/56/567271156.db2.gz NGTJEHMGKFUDLV-INIZCTEOSA-N 1 1 397.273 3.307 10 5 GGBEMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435326396 567355717 /nfs/dbraw/zinc/35/57/17/567355717.db2.gz DHILHEQTUWLQLD-NSHDSACASA-N 1 1 385.262 3.129 10 5 GGBEMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330456 567356436 /nfs/dbraw/zinc/35/64/36/567356436.db2.gz SWEYEVKAKMLVNC-BXKDBHETSA-N 1 1 385.262 3.270 10 5 GGBEMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000501068615 567363103 /nfs/dbraw/zinc/36/31/03/567363103.db2.gz GSNTXABDXFGXOW-ZWNOBZJWSA-N 1 1 385.262 3.304 10 5 GGBEMO C[C@](CO)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000595492027 567568011 /nfs/dbraw/zinc/56/80/11/567568011.db2.gz KRBIDBRXKAEJIJ-MRXNPFEDSA-N 1 1 383.217 3.494 10 5 GGBEMO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1Br ZINC000530323132 567592053 /nfs/dbraw/zinc/59/20/53/567592053.db2.gz QTFLOSWOSUGONK-UHFFFAOYSA-N 1 1 379.214 3.066 10 5 GGBEMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000572169245 567618807 /nfs/dbraw/zinc/61/88/07/567618807.db2.gz HHCCYXXMSKKESS-UHFFFAOYSA-N 1 1 390.221 3.058 10 5 GGBEMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000459550115 567635240 /nfs/dbraw/zinc/63/52/40/567635240.db2.gz HHHVZQWLJBXYNA-LLVKDONJSA-N 1 1 385.262 3.211 10 5 GGBEMO CC1(CO)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459623320 567644219 /nfs/dbraw/zinc/64/42/19/567644219.db2.gz QUWZQWDBNIQJBZ-UHFFFAOYSA-N 1 1 381.226 3.432 10 5 GGBEMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000596888745 567662165 /nfs/dbraw/zinc/66/21/65/567662165.db2.gz QZFSLSWZEFUSHO-GFCCVEGCSA-N 1 1 385.262 3.272 10 5 GGBEMO CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CC[N@@H+](CC)C1 ZINC000598039708 567733922 /nfs/dbraw/zinc/73/39/22/567733922.db2.gz MALCYWKMGVZUKM-LBPRGKRZSA-N 1 1 384.274 3.222 10 5 GGBEMO CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598038895 567734133 /nfs/dbraw/zinc/73/41/33/567734133.db2.gz GQJNZTQKJDZHNF-ZDUSSCGKSA-N 1 1 384.274 3.222 10 5 GGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000598465101 567769694 /nfs/dbraw/zinc/76/96/94/567769694.db2.gz CPNXJMUSPDHWNT-UHFFFAOYSA-N 1 1 386.290 3.136 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000534134107 567801289 /nfs/dbraw/zinc/80/12/89/567801289.db2.gz BDMAKVWKRZVDIG-INIZCTEOSA-N 1 1 392.253 3.356 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000534134107 567801293 /nfs/dbraw/zinc/80/12/93/567801293.db2.gz BDMAKVWKRZVDIG-INIZCTEOSA-N 1 1 392.253 3.356 10 5 GGBEMO O=C(C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)N1CCCCCC1 ZINC000023853990 570333215 /nfs/dbraw/zinc/33/32/15/570333215.db2.gz VSXGYMCNHGXPSH-UHFFFAOYSA-N 1 1 385.468 3.017 10 5 GGBEMO COCC[N@@H+](C)C[C@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095944988 1410316377 /nfs/dbraw/zinc/31/63/77/1410316377.db2.gz PDEAYAVHGDKZMM-LJQANCHMSA-N 1 1 397.475 3.373 10 5 GGBEMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000097592046 1410382413 /nfs/dbraw/zinc/38/24/13/1410382413.db2.gz FKIJWVJXKUWZRF-KRWDZBQOSA-N 1 1 382.464 3.130 10 5 GGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000097592046 1410382421 /nfs/dbraw/zinc/38/24/21/1410382421.db2.gz FKIJWVJXKUWZRF-KRWDZBQOSA-N 1 1 382.464 3.130 10 5 GGBEMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000124089779 1414883894 /nfs/dbraw/zinc/88/38/94/1414883894.db2.gz GZZFNULMAKPJDO-IYBDPMFKSA-N 1 1 383.448 3.481 10 5 GGBEMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000124089779 1414883897 /nfs/dbraw/zinc/88/38/97/1414883897.db2.gz GZZFNULMAKPJDO-IYBDPMFKSA-N 1 1 383.448 3.481 10 5 GGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278179662 1435366991 /nfs/dbraw/zinc/36/69/91/1435366991.db2.gz DBYZXBZNLVHDBD-AWEZNQCLSA-N 1 1 395.385 3.362 10 5 GGBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nc2c1 ZINC001197298280 1126154031 /nfs/dbraw/zinc/15/40/31/1126154031.db2.gz WBKUEFYLEQLHAY-NVXWUHKLSA-N 1 1 394.353 3.095 10 5 GGBEMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc2c1 ZINC001308037761 1126162384 /nfs/dbraw/zinc/16/23/84/1126162384.db2.gz GCUWMEAWBNFEFC-YOEHRIQHSA-N 1 1 395.337 3.360 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001648158868 1126250176 /nfs/dbraw/zinc/25/01/76/1126250176.db2.gz SLSYUZUTJBGUND-RDJZCZTQSA-N 1 1 384.354 3.228 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001648158866 1126250181 /nfs/dbraw/zinc/25/01/81/1126250181.db2.gz SLSYUZUTJBGUND-DOTOQJQBSA-N 1 1 384.354 3.228 10 5 GGBEMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015906256 207068271 /nfs/dbraw/zinc/06/82/71/207068271.db2.gz YLRZWWHPSAQKQT-FUHWJXTLSA-N 1 1 396.403 3.260 10 5 GGBEMO C[N@H+](Cc1ccccc1N1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025301853 207302986 /nfs/dbraw/zinc/30/29/86/207302986.db2.gz XHNGEMPKEBVBHU-FQEVSTJZSA-N 1 1 399.491 3.457 10 5 GGBEMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000169311293 136197184 /nfs/dbraw/zinc/19/71/84/136197184.db2.gz WVQSVFIEDLYUOM-UHFFFAOYSA-N 1 1 384.267 3.229 10 5 GGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000119549739 564276435 /nfs/dbraw/zinc/27/64/35/564276435.db2.gz QGQOGVSSJSCDGZ-CYBMUJFWSA-N 1 1 384.274 3.208 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000122433463 564414094 /nfs/dbraw/zinc/41/40/94/564414094.db2.gz QWSQYNYQIQJEGM-IAQYHMDHSA-N 1 1 384.274 3.160 10 5 GGBEMO C[C@@H]1CCC[N@@H+](CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000036393211 564416988 /nfs/dbraw/zinc/41/69/88/564416988.db2.gz KBEAVDUKWIOJGQ-CYBMUJFWSA-N 1 1 389.905 3.039 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)C1 ZINC000122527093 564417083 /nfs/dbraw/zinc/41/70/83/564417083.db2.gz KNIHQFGAVQCPMO-IAQYHMDHSA-N 1 1 384.274 3.160 10 5 GGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123645414 564456694 /nfs/dbraw/zinc/45/66/94/564456694.db2.gz GGBTVPYTDGNFLH-CQSZACIVSA-N 1 1 393.241 3.167 10 5 GGBEMO O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000371308365 565186506 /nfs/dbraw/zinc/18/65/06/565186506.db2.gz NRUCBDVDHLTGJG-QMMMGPOBSA-N 1 1 399.632 3.021 10 5 GGBEMO Cc1c(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000297242586 565363303 /nfs/dbraw/zinc/36/33/03/565363303.db2.gz WNXDHLRSQVEWNC-INIZCTEOSA-N 1 1 397.273 3.225 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000301269887 565477140 /nfs/dbraw/zinc/47/71/40/565477140.db2.gz QOCQKNWHXRTXRX-AWEZNQCLSA-N 1 1 384.274 3.048 10 5 GGBEMO CCc1ccc(C[NH+]2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)s1 ZINC000301334784 565478927 /nfs/dbraw/zinc/47/89/27/565478927.db2.gz BTPCBGGUIIYOSA-UHFFFAOYSA-N 1 1 377.495 3.250 10 5 GGBEMO O=[N+]([O-])c1ccc(Br)cc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301664901 565503567 /nfs/dbraw/zinc/50/35/67/565503567.db2.gz LBUNJKSPWITQSW-UHFFFAOYSA-N 1 1 384.274 3.048 10 5 GGBEMO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302660952 565548465 /nfs/dbraw/zinc/54/84/65/565548465.db2.gz IITGWOONDYNLLW-UHFFFAOYSA-N 1 1 385.306 3.104 10 5 GGBEMO Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302663004 565548746 /nfs/dbraw/zinc/54/87/46/565548746.db2.gz IUQLSHFEXOJLEK-ZDUSSCGKSA-N 1 1 398.301 3.355 10 5 GGBEMO C[N@H+]1CC[C@@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC000408145839 565597280 /nfs/dbraw/zinc/59/72/80/565597280.db2.gz LBCALODKAYKEDE-BZNIZROVSA-N 1 1 391.269 3.436 10 5 GGBEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383962 565606163 /nfs/dbraw/zinc/60/61/63/565606163.db2.gz FAGSIBVSWCGLGK-AAEUAGOBSA-N 1 1 382.258 3.056 10 5 GGBEMO Cc1c(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280705393 565690336 /nfs/dbraw/zinc/69/03/36/565690336.db2.gz IFKGDXCNIGLCDL-NSHDSACASA-N 1 1 397.273 3.438 10 5 GGBEMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000280816704 565697823 /nfs/dbraw/zinc/69/78/23/565697823.db2.gz SYIPOOYRJJDRQI-GFCCVEGCSA-N 1 1 399.289 3.471 10 5 GGBEMO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1 ZINC000286670387 565973614 /nfs/dbraw/zinc/97/36/14/565973614.db2.gz VAYPWBAQVMJMTR-MRXNPFEDSA-N 1 1 383.217 3.494 10 5 GGBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000245503071 565992655 /nfs/dbraw/zinc/99/26/55/565992655.db2.gz CMOJLOPJFRLPAC-KGLIPLIRSA-N 1 1 396.285 3.365 10 5 GGBEMO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245529948 565994678 /nfs/dbraw/zinc/99/46/78/565994678.db2.gz WYGPYDAAAOZVOA-GXFFZTMASA-N 1 1 384.274 3.220 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000368344379 566236599 /nfs/dbraw/zinc/23/65/99/566236599.db2.gz KCTXNLVVFAAMDG-GFCCVEGCSA-N 1 1 398.282 3.418 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000368344379 566236600 /nfs/dbraw/zinc/23/66/00/566236600.db2.gz KCTXNLVVFAAMDG-GFCCVEGCSA-N 1 1 398.282 3.418 10 5 GGBEMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCSC1 ZINC000534835463 566258368 /nfs/dbraw/zinc/25/83/68/566258368.db2.gz RFCQJDHTSRLLFU-CYBMUJFWSA-N 1 1 378.479 3.094 10 5 GGBEMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCSC1 ZINC000534835463 566258378 /nfs/dbraw/zinc/25/83/78/566258378.db2.gz RFCQJDHTSRLLFU-CYBMUJFWSA-N 1 1 378.479 3.094 10 5 GGBEMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651975 566282940 /nfs/dbraw/zinc/28/29/40/566282940.db2.gz JYLVZUWWTBKSMW-GXTWGEPZSA-N 1 1 379.258 3.432 10 5 GGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600230583 566326216 /nfs/dbraw/zinc/32/62/16/566326216.db2.gz VHXNMFJBQUATDC-CYBMUJFWSA-N 1 1 396.285 3.494 10 5 GGBEMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600472288 566340875 /nfs/dbraw/zinc/34/08/75/566340875.db2.gz NVWSGMVWEQUKML-AWEZNQCLSA-N 1 1 383.901 3.473 10 5 GGBEMO Cc1c(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000421114894 566346503 /nfs/dbraw/zinc/34/65/03/566346503.db2.gz GTBCOGYYKKLHND-GFCCVEGCSA-N 1 1 385.262 3.224 10 5 GGBEMO CC(C)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000462872402 566362220 /nfs/dbraw/zinc/36/22/20/566362220.db2.gz FIAMFPMFHWITTP-CYBMUJFWSA-N 1 1 390.221 3.199 10 5 GGBEMO Cc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ncc1Br ZINC000601149169 566393870 /nfs/dbraw/zinc/39/38/70/566393870.db2.gz KDKYAUOINIGBNI-INIZCTEOSA-N 1 1 380.242 3.058 10 5 GGBEMO Cc1c[nH+]cn1C1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000557662552 566406001 /nfs/dbraw/zinc/40/60/01/566406001.db2.gz LUVXWUSZILYWPF-UHFFFAOYSA-N 1 1 380.246 3.407 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511561426 566471887 /nfs/dbraw/zinc/47/18/87/566471887.db2.gz IYDPOGOCNKRANU-KRWDZBQOSA-N 1 1 395.253 3.363 10 5 GGBEMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000538719909 566529888 /nfs/dbraw/zinc/52/98/88/566529888.db2.gz QZGQTLBPYUMTLX-ZDUSSCGKSA-N 1 1 380.491 3.190 10 5 GGBEMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000538719909 566529893 /nfs/dbraw/zinc/52/98/93/566529893.db2.gz QZGQTLBPYUMTLX-ZDUSSCGKSA-N 1 1 380.491 3.190 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000559517927 566554405 /nfs/dbraw/zinc/55/44/05/566554405.db2.gz PHXHGZQOJXWBJI-LLVKDONJSA-N 1 1 384.274 3.270 10 5 GGBEMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425445656 566643079 /nfs/dbraw/zinc/64/30/79/566643079.db2.gz PFVAOJXRNDVOOK-AWEZNQCLSA-N 1 1 384.274 3.238 10 5 GGBEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425445656 566643085 /nfs/dbraw/zinc/64/30/85/566643085.db2.gz PFVAOJXRNDVOOK-AWEZNQCLSA-N 1 1 384.274 3.238 10 5 GGBEMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000581135622 566752346 /nfs/dbraw/zinc/75/23/46/566752346.db2.gz KFGISWHROZJVSR-SNVBAGLBSA-N 1 1 379.214 3.063 10 5 GGBEMO C[NH+](C)Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1Br ZINC000469494603 566794246 /nfs/dbraw/zinc/79/42/46/566794246.db2.gz VPCRZPPRWVVTAM-UHFFFAOYSA-N 1 1 393.241 3.253 10 5 GGBEMO 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 566810440 /nfs/dbraw/zinc/81/04/40/566810440.db2.gz AUIBGBFZGMAUOR-DGCLKSJQSA-N 1 1 389.905 3.050 10 5 GGBEMO 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 566810841 /nfs/dbraw/zinc/81/08/41/566810841.db2.gz AUIBGBFZGMAUOR-AAEUAGOBSA-N 1 1 389.905 3.050 10 5 GGBEMO COc1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000429018802 566901176 /nfs/dbraw/zinc/90/11/76/566901176.db2.gz HZJNOXUMTNXMDZ-CQSZACIVSA-N 1 1 399.216 3.328 10 5 GGBEMO CN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474782943 567199164 /nfs/dbraw/zinc/19/91/64/567199164.db2.gz GWBKEOKZPYZOBH-AWEZNQCLSA-N 1 1 391.269 3.463 10 5 GGBEMO CN(c1ncc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474782943 567199171 /nfs/dbraw/zinc/19/91/71/567199171.db2.gz GWBKEOKZPYZOBH-AWEZNQCLSA-N 1 1 391.269 3.463 10 5 GGBEMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000595247800 567549672 /nfs/dbraw/zinc/54/96/72/567549672.db2.gz ACUFMMWLHUCBJD-UHFFFAOYSA-N 1 1 396.266 3.294 10 5 GGBEMO Cc1c(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000595254668 567549883 /nfs/dbraw/zinc/54/98/83/567549883.db2.gz TYJFJRMZFMZCLB-UHFFFAOYSA-N 1 1 396.266 3.260 10 5 GGBEMO C[C@@](CO)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000595492026 567567666 /nfs/dbraw/zinc/56/76/66/567567666.db2.gz KRBIDBRXKAEJIJ-INIZCTEOSA-N 1 1 383.217 3.494 10 5 GGBEMO O=C(Cn1c[nH+]c2c1CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552395609 567587482 /nfs/dbraw/zinc/58/74/82/567587482.db2.gz MTNNNRNOTDNJDK-UHFFFAOYSA-N 1 1 379.214 3.071 10 5 GGBEMO O=[N+]([O-])c1cccc(Br)c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596269691 567620257 /nfs/dbraw/zinc/62/02/57/567620257.db2.gz YMYDUWHWYLPOBX-UHFFFAOYSA-N 1 1 384.274 3.048 10 5 GGBEMO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000596889879 567662640 /nfs/dbraw/zinc/66/26/40/567662640.db2.gz ZXRBLFFVEHABMW-GFCCVEGCSA-N 1 1 385.262 3.224 10 5 GGBEMO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000596900675 567663440 /nfs/dbraw/zinc/66/34/40/567663440.db2.gz TUHYWHJKYPDNKV-ZDUSSCGKSA-N 1 1 385.262 3.305 10 5 GGBEMO CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038894 567734482 /nfs/dbraw/zinc/73/44/82/567734482.db2.gz GQJNZTQKJDZHNF-CYBMUJFWSA-N 1 1 384.274 3.222 10 5 GGBEMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000573948677 567745790 /nfs/dbraw/zinc/74/57/90/567745790.db2.gz GHLPTKXVEMWCRD-ZDUSSCGKSA-N 1 1 384.274 3.304 10 5 GGBEMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000573948673 567745993 /nfs/dbraw/zinc/74/59/93/567745993.db2.gz GHLPTKXVEMWCRD-CYBMUJFWSA-N 1 1 384.274 3.304 10 5 GGBEMO Cc1cc(Br)ccc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444687302 567810831 /nfs/dbraw/zinc/81/08/31/567810831.db2.gz ALCKOQPGKKAUII-UHFFFAOYSA-N 1 1 392.253 3.397 10 5 GGBEMO Cc1cc(Br)ccc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000444687302 567810834 /nfs/dbraw/zinc/81/08/34/567810834.db2.gz ALCKOQPGKKAUII-UHFFFAOYSA-N 1 1 392.253 3.397 10 5 GGBEMO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000005200250 570500821 /nfs/dbraw/zinc/50/08/21/570500821.db2.gz YMIUTQPPEVLMNB-GOSISDBHSA-N 1 1 386.452 3.211 10 5 GGBEMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170613511 570871798 /nfs/dbraw/zinc/87/17/98/570871798.db2.gz NBHREHWMXWYGLG-HZPDHXFCSA-N 1 1 378.473 3.072 10 5 GGBEMO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000170613512 570871860 /nfs/dbraw/zinc/87/18/60/570871860.db2.gz NBHREHWMXWYGLG-CVEARBPZSA-N 1 1 378.473 3.072 10 5 GGBEMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093865706 1410276491 /nfs/dbraw/zinc/27/64/91/1410276491.db2.gz AFTMFGCQTCDTCD-LJQANCHMSA-N 1 1 379.420 3.044 10 5 GGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156469879 1423814465 /nfs/dbraw/zinc/81/44/65/1423814465.db2.gz CCAPPZXHSBOUMH-ZQIUZPCESA-N 1 1 382.424 3.485 10 5 GGBEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000192241425 1432821552 /nfs/dbraw/zinc/82/15/52/1432821552.db2.gz WWPQBRIWJYRUBU-UHFFFAOYSA-N 1 1 393.484 3.236 10 5 GGBEMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000230288679 1433372624 /nfs/dbraw/zinc/37/26/24/1433372624.db2.gz NBHREHWMXWYGLG-JKSUJKDBSA-N 1 1 378.473 3.072 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001648158869 1126250073 /nfs/dbraw/zinc/25/00/73/1126250073.db2.gz SLSYUZUTJBGUND-WBVHZDCISA-N 1 1 384.354 3.228 10 5 GGBEMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942745 1126263752 /nfs/dbraw/zinc/26/37/52/1126263752.db2.gz BMJLIIDTGPNJHE-GOEBONIOSA-N 1 1 399.325 3.127 10 5 GGBEMO CC[NH+]1CCN(C(=O)c2c(C)n(-c3ccc([N+](=O)[O-])cc3)nc2CC(C)C)CC1 ZINC000096207135 211319584 /nfs/dbraw/zinc/31/95/84/211319584.db2.gz GIUJSXWDDVRBKQ-UHFFFAOYSA-N 1 1 399.495 3.065 10 5 GGBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000089875042 211184948 /nfs/dbraw/zinc/18/49/48/211184948.db2.gz XYFLDHDBZGWWFF-HNNXBMFYSA-N 1 1 385.445 3.044 10 5 GGBEMO O=[N+]([O-])c1ccccc1CNCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000119735771 564285799 /nfs/dbraw/zinc/28/57/99/564285799.db2.gz IESFDXKDEDAGLS-UHFFFAOYSA-N 1 1 388.225 3.432 10 5 GGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000122262432 564406660 /nfs/dbraw/zinc/40/66/60/564406660.db2.gz IJLZUKDFQUWUNI-AWEZNQCLSA-N 1 1 377.242 3.439 10 5 GGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000122262432 564406666 /nfs/dbraw/zinc/40/66/66/564406666.db2.gz IJLZUKDFQUWUNI-AWEZNQCLSA-N 1 1 377.242 3.439 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122487173 564416241 /nfs/dbraw/zinc/41/62/41/564416241.db2.gz VLYFDQKKJIRRIH-RISCZKNCSA-N 1 1 384.274 3.160 10 5 GGBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126037657 564535079 /nfs/dbraw/zinc/53/50/79/564535079.db2.gz CMOJLOPJFRLPAC-UONOGXRCSA-N 1 1 396.285 3.365 10 5 GGBEMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000066327802 564762529 /nfs/dbraw/zinc/76/25/29/564762529.db2.gz UPMIORZITYEBGE-GFCCVEGCSA-N 1 1 389.524 3.079 10 5 GGBEMO CC[N@H+]1CCC[C@H](Nc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000096482905 564902006 /nfs/dbraw/zinc/90/20/06/564902006.db2.gz LCZUIRPMAUETLK-NSHDSACASA-N 1 1 375.210 3.096 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000153018527 564981558 /nfs/dbraw/zinc/98/15/58/564981558.db2.gz LPNZXFULJUIRBG-MLGOLLRUSA-N 1 1 398.301 3.089 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183878001 565099843 /nfs/dbraw/zinc/09/98/43/565099843.db2.gz LQZRTNKEXJAEPV-OAHLLOKOSA-N 1 1 381.226 3.189 10 5 GGBEMO Cc1c(Br)cc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000372195881 565225643 /nfs/dbraw/zinc/22/56/43/565225643.db2.gz MDEQWOQGHIMKFI-UHFFFAOYSA-N 1 1 393.241 3.409 10 5 GGBEMO COc1cc(Br)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033633 565419524 /nfs/dbraw/zinc/41/95/24/565419524.db2.gz FIKJCMCUEITRPB-UHFFFAOYSA-N 1 1 395.257 3.400 10 5 GGBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000190554428 565541347 /nfs/dbraw/zinc/54/13/47/565541347.db2.gz QVGHHULFWFLDNT-LBPRGKRZSA-N 1 1 380.495 3.015 10 5 GGBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000190550847 565541392 /nfs/dbraw/zinc/54/13/92/565541392.db2.gz RBZHNPWIDBWVMP-GFCCVEGCSA-N 1 1 380.495 3.015 10 5 GGBEMO Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302663003 565548563 /nfs/dbraw/zinc/54/85/63/565548563.db2.gz IUQLSHFEXOJLEK-CYBMUJFWSA-N 1 1 398.301 3.355 10 5 GGBEMO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)cc1[N+](=O)[O-] ZINC000280768180 565694572 /nfs/dbraw/zinc/69/45/72/565694572.db2.gz OBDDUYNOSNHFRC-OLZOCXBDSA-N 1 1 397.273 3.366 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H](C)C1 ZINC000330477747 565709037 /nfs/dbraw/zinc/70/90/37/565709037.db2.gz WRSHROYMVCHSJU-ZBEGNZNMSA-N 1 1 398.301 3.468 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000176004744 565739825 /nfs/dbraw/zinc/73/98/25/565739825.db2.gz QGXATPDPVXRDRT-BXUZGUMPSA-N 1 1 384.274 3.160 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000284401698 565852967 /nfs/dbraw/zinc/85/29/67/565852967.db2.gz QQOVCCPNEDFGAP-PWSUYJOCSA-N 1 1 384.274 3.220 10 5 GGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000245503070 565992633 /nfs/dbraw/zinc/99/26/33/565992633.db2.gz CMOJLOPJFRLPAC-KBPBESRZSA-N 1 1 396.285 3.365 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000247459495 566061682 /nfs/dbraw/zinc/06/16/82/566061682.db2.gz QWSQYNYQIQJEGM-XHDPSFHLSA-N 1 1 384.274 3.160 10 5 GGBEMO Cc1c(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366722941 566166159 /nfs/dbraw/zinc/16/61/59/566166159.db2.gz AGZBQUDYVYNFDX-ZDUSSCGKSA-N 1 1 397.273 3.368 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000368344385 566236671 /nfs/dbraw/zinc/23/66/71/566236671.db2.gz KCTXNLVVFAAMDG-LBPRGKRZSA-N 1 1 398.282 3.418 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000368344385 566236672 /nfs/dbraw/zinc/23/66/72/566236672.db2.gz KCTXNLVVFAAMDG-LBPRGKRZSA-N 1 1 398.282 3.418 10 5 GGBEMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCSC1 ZINC000534835464 566258596 /nfs/dbraw/zinc/25/85/96/566258596.db2.gz RFCQJDHTSRLLFU-ZDUSSCGKSA-N 1 1 378.479 3.094 10 5 GGBEMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCSC1 ZINC000534835464 566258600 /nfs/dbraw/zinc/25/86/00/566258600.db2.gz RFCQJDHTSRLLFU-ZDUSSCGKSA-N 1 1 378.479 3.094 10 5 GGBEMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462313931 566281807 /nfs/dbraw/zinc/28/18/07/566281807.db2.gz MGKNDKWIRHYZNA-KOLCDFICSA-N 1 1 396.296 3.005 10 5 GGBEMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651976 566284734 /nfs/dbraw/zinc/28/47/34/566284734.db2.gz JYLVZUWWTBKSMW-JSGCOSHPSA-N 1 1 379.258 3.432 10 5 GGBEMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445879375 566317277 /nfs/dbraw/zinc/31/72/77/566317277.db2.gz FXHQKDLKISSDMF-AWEZNQCLSA-N 1 1 381.230 3.009 10 5 GGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000600229547 566326584 /nfs/dbraw/zinc/32/65/84/566326584.db2.gz VPDLHUOJEBHQDA-AWEZNQCLSA-N 1 1 396.285 3.494 10 5 GGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600230584 566327077 /nfs/dbraw/zinc/32/70/77/566327077.db2.gz VHXNMFJBQUATDC-ZDUSSCGKSA-N 1 1 396.285 3.494 10 5 GGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600470339 566340888 /nfs/dbraw/zinc/34/08/88/566340888.db2.gz NBAZSQXCNXWROT-LBPRGKRZSA-N 1 1 382.258 3.104 10 5 GGBEMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000538719908 566529757 /nfs/dbraw/zinc/52/97/57/566529757.db2.gz QZGQTLBPYUMTLX-CYBMUJFWSA-N 1 1 380.491 3.190 10 5 GGBEMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H]1CCS(=O)(=O)C1 ZINC000538719908 566529764 /nfs/dbraw/zinc/52/97/64/566529764.db2.gz QZGQTLBPYUMTLX-CYBMUJFWSA-N 1 1 380.491 3.190 10 5 GGBEMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425445657 566644013 /nfs/dbraw/zinc/64/40/13/566644013.db2.gz PFVAOJXRNDVOOK-CQSZACIVSA-N 1 1 384.274 3.238 10 5 GGBEMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425445657 566644019 /nfs/dbraw/zinc/64/40/19/566644019.db2.gz PFVAOJXRNDVOOK-CQSZACIVSA-N 1 1 384.274 3.238 10 5 GGBEMO Cc1c(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000425672982 566665606 /nfs/dbraw/zinc/66/56/06/566665606.db2.gz MEWUZTKOMMEFNU-XHDPSFHLSA-N 1 1 397.273 3.224 10 5 GGBEMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(C[NH+]2CCCC2)on1 ZINC000488362972 566723115 /nfs/dbraw/zinc/72/31/15/566723115.db2.gz YTLQZLHBSZRWQR-UHFFFAOYSA-N 1 1 395.213 3.193 10 5 GGBEMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)CC2 ZINC000581135621 566752828 /nfs/dbraw/zinc/75/28/28/566752828.db2.gz KFGISWHROZJVSR-JTQLQIEISA-N 1 1 379.214 3.063 10 5 GGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610064368 566802394 /nfs/dbraw/zinc/80/23/94/566802394.db2.gz DAXMCFBWWOCRNH-TXEJJXNPSA-N 1 1 384.274 3.350 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000430202834 567000589 /nfs/dbraw/zinc/00/05/89/567000589.db2.gz DJNJRITYFJRNEC-OAHLLOKOSA-N 1 1 381.226 3.189 10 5 GGBEMO Cc1c(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000455349753 567263693 /nfs/dbraw/zinc/26/36/93/567263693.db2.gz GCLXADQVNBAGIL-AOOOYVTPSA-N 1 1 385.262 3.222 10 5 GGBEMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455402007 567270660 /nfs/dbraw/zinc/27/06/60/567270660.db2.gz NGTJEHMGKFUDLV-MRXNPFEDSA-N 1 1 397.273 3.307 10 5 GGBEMO CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592258922 567326703 /nfs/dbraw/zinc/32/67/03/567326703.db2.gz YCWWVUQYELQDNG-ZDUSSCGKSA-N 1 1 385.262 3.305 10 5 GGBEMO Cc1c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325869 567356199 /nfs/dbraw/zinc/35/61/99/567356199.db2.gz BEJSAWXIGLXJKY-WDEREUQCSA-N 1 1 385.262 3.222 10 5 GGBEMO Cc1c(NC(=O)N(C)CC[N@@H+](C)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435326021 567356345 /nfs/dbraw/zinc/35/63/45/567356345.db2.gz BRGAFGYQIWOOHB-UHFFFAOYSA-N 1 1 385.262 3.224 10 5 GGBEMO Cc1c(NC(=O)NCC[N@@H+]2CC=CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000435334123 567357519 /nfs/dbraw/zinc/35/75/19/567357519.db2.gz WQRPQXYIKIFCPX-UHFFFAOYSA-N 1 1 383.246 3.049 10 5 GGBEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000501075282 567362528 /nfs/dbraw/zinc/36/25/28/567362528.db2.gz OYHUPJXCXJQQTG-IAQYHMDHSA-N 1 1 397.273 3.305 10 5 GGBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000593204153 567396882 /nfs/dbraw/zinc/39/68/82/567396882.db2.gz VXOYBOCXMUSNDC-UHFFFAOYSA-N 1 1 378.292 3.127 10 5 GGBEMO CC[N@H+]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000619541664 567463875 /nfs/dbraw/zinc/46/38/75/567463875.db2.gz XQERJXSGHQGNSM-JTQLQIEISA-N 1 1 385.262 3.224 10 5 GGBEMO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000597859192 567719376 /nfs/dbraw/zinc/71/93/76/567719376.db2.gz ATVOECXLLBQCRJ-QMMMGPOBSA-N 1 1 376.276 3.021 10 5 GGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000597859192 567719380 /nfs/dbraw/zinc/71/93/80/567719380.db2.gz ATVOECXLLBQCRJ-QMMMGPOBSA-N 1 1 376.276 3.021 10 5 GGBEMO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859834 567719634 /nfs/dbraw/zinc/71/96/34/567719634.db2.gz YVMODJMGWJOXQS-LBPRGKRZSA-N 1 1 384.274 3.268 10 5 GGBEMO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859833 567719796 /nfs/dbraw/zinc/71/97/96/567719796.db2.gz YVMODJMGWJOXQS-GFCCVEGCSA-N 1 1 384.274 3.268 10 5 GGBEMO CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598039705 567734036 /nfs/dbraw/zinc/73/40/36/567734036.db2.gz MALCYWKMGVZUKM-GFCCVEGCSA-N 1 1 384.274 3.222 10 5 GGBEMO C[N@@H+](CCNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000599173585 567808599 /nfs/dbraw/zinc/80/85/99/567808599.db2.gz DQRIQLPTTRRASI-UHFFFAOYSA-N 1 1 384.274 3.352 10 5 GGBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)c3cccc(Br)c3)nc2c1 ZINC000444675618 567810859 /nfs/dbraw/zinc/81/08/59/567810859.db2.gz RXDDMQWRCQSZOP-OAHLLOKOSA-N 1 1 391.225 3.057 10 5 GGBEMO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(O)cc1[N+](=O)[O-] ZINC000170595802 570853604 /nfs/dbraw/zinc/85/36/04/570853604.db2.gz UCWQMZPNDOEVOK-KRWDZBQOSA-N 1 1 383.448 3.285 10 5 GGBEMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(O)cc1[N+](=O)[O-] ZINC000170595802 570853607 /nfs/dbraw/zinc/85/36/07/570853607.db2.gz UCWQMZPNDOEVOK-KRWDZBQOSA-N 1 1 383.448 3.285 10 5 GGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156469758 1423814242 /nfs/dbraw/zinc/81/42/42/1423814242.db2.gz CCAPPZXHSBOUMH-KEYYUXOJSA-N 1 1 382.424 3.485 10 5 GGBEMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000180607771 1429930242 /nfs/dbraw/zinc/93/02/42/1429930242.db2.gz FIUAPVCNGFOMBO-KXBFYZLASA-N 1 1 380.452 3.275 10 5 GGBEMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282394311 1435845655 /nfs/dbraw/zinc/84/56/55/1435845655.db2.gz HCVOHSTXLICNKQ-AWEZNQCLSA-N 1 1 384.436 3.055 10 5 GGBEMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282394311 1435845656 /nfs/dbraw/zinc/84/56/56/1435845656.db2.gz HCVOHSTXLICNKQ-AWEZNQCLSA-N 1 1 384.436 3.055 10 5 GGBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc2c1 ZINC001197298284 1126154096 /nfs/dbraw/zinc/15/40/96/1126154096.db2.gz WBKUEFYLEQLHAY-WBVHZDCISA-N 1 1 394.353 3.095 10 5 GGBEMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)c1 ZINC001308038514 1126162744 /nfs/dbraw/zinc/16/27/44/1126162744.db2.gz MKAFXZVXEHBZIP-HOTGVXAUSA-N 1 1 390.308 3.497 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001648158867 1126250070 /nfs/dbraw/zinc/25/00/70/1126250070.db2.gz SLSYUZUTJBGUND-NVXWUHKLSA-N 1 1 384.354 3.228 10 5 GGBEMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012987066 221253177 /nfs/dbraw/zinc/25/31/77/221253177.db2.gz HZLOVZYHPQJRSN-UHFFFAOYSA-N 1 1 389.839 3.010 10 5 GGBEMO Cc1cccc(N2CC[NH+](CCNC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000058021469 136154393 /nfs/dbraw/zinc/15/43/93/136154393.db2.gz IIDHNLKNMYLXNN-UHFFFAOYSA-N 1 1 397.479 3.155 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000122433254 564413907 /nfs/dbraw/zinc/41/39/07/564413907.db2.gz QWSQYNYQIQJEGM-ABAIWWIYSA-N 1 1 384.274 3.160 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000130719658 564690851 /nfs/dbraw/zinc/69/08/51/564690851.db2.gz RUEDNIHNENQTMO-ABAIWWIYSA-N 1 1 384.274 3.160 10 5 GGBEMO C[C@@H]1C[N@H+](CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000072301802 564861768 /nfs/dbraw/zinc/86/17/68/564861768.db2.gz CHPXJMWTGHSSDU-PHIMTYICSA-N 1 1 390.253 3.408 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000151574869 564927566 /nfs/dbraw/zinc/92/75/66/564927566.db2.gz NWADBXUCILMBJP-IAQYHMDHSA-N 1 1 398.301 3.468 10 5 GGBEMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000155151798 565062917 /nfs/dbraw/zinc/06/29/17/565062917.db2.gz JNICKONXEOWOJQ-CMPLNLGQSA-N 1 1 385.262 3.304 10 5 GGBEMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000155151696 565062993 /nfs/dbraw/zinc/06/29/93/565062993.db2.gz JNICKONXEOWOJQ-ZYHUDNBSSA-N 1 1 385.262 3.304 10 5 GGBEMO Cc1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)cc1[N+](=O)[O-] ZINC000296960580 565347298 /nfs/dbraw/zinc/34/72/98/565347298.db2.gz CTLIKIDPVJSEQL-YHWZYXNKSA-N 1 1 397.273 3.412 10 5 GGBEMO Cc1c(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000297242587 565362905 /nfs/dbraw/zinc/36/29/05/565362905.db2.gz WNXDHLRSQVEWNC-MRXNPFEDSA-N 1 1 397.273 3.225 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000278022480 565534504 /nfs/dbraw/zinc/53/45/04/565534504.db2.gz QCZDRORORZDXAN-VHSXEESVSA-N 1 1 390.303 3.221 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000278022472 565534535 /nfs/dbraw/zinc/53/45/35/565534535.db2.gz QCZDRORORZDXAN-UWVGGRQHSA-N 1 1 390.303 3.221 10 5 GGBEMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000408123927 565595439 /nfs/dbraw/zinc/59/54/39/565595439.db2.gz KZNLBMVQIRBDHY-GFCCVEGCSA-N 1 1 377.242 3.190 10 5 GGBEMO C[N@H+]1CC[C@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@H]2C1 ZINC000408145841 565596648 /nfs/dbraw/zinc/59/66/48/565596648.db2.gz LBCALODKAYKEDE-ZBEGNZNMSA-N 1 1 391.269 3.436 10 5 GGBEMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280697581 565689281 /nfs/dbraw/zinc/68/92/81/565689281.db2.gz HLDNQYWAYUJQGD-UHFFFAOYSA-N 1 1 396.245 3.382 10 5 GGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177198745 565834473 /nfs/dbraw/zinc/83/44/73/565834473.db2.gz XGKHCFYXUPGXSW-CYBMUJFWSA-N 1 1 393.241 3.167 10 5 GGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000177198730 565835085 /nfs/dbraw/zinc/83/50/85/565835085.db2.gz XGKHCFYXUPGXSW-ZDUSSCGKSA-N 1 1 393.241 3.167 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245512646 565992861 /nfs/dbraw/zinc/99/28/61/565992861.db2.gz NWADBXUCILMBJP-XHDPSFHLSA-N 1 1 398.301 3.468 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246012507 566013751 /nfs/dbraw/zinc/01/37/51/566013751.db2.gz RUEDNIHNENQTMO-XHDPSFHLSA-N 1 1 384.274 3.160 10 5 GGBEMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000366423511 566151243 /nfs/dbraw/zinc/15/12/43/566151243.db2.gz XACKVKUBCOUVBT-UHFFFAOYSA-N 1 1 393.241 3.340 10 5 GGBEMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000366422767 566151753 /nfs/dbraw/zinc/15/17/53/566151753.db2.gz WFJMTRKVKKJRCR-UHFFFAOYSA-N 1 1 393.241 3.340 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544750 566273626 /nfs/dbraw/zinc/27/36/26/566273626.db2.gz KFFFEXPCLBYYEN-OAHLLOKOSA-N 1 1 399.285 3.111 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544750 566273635 /nfs/dbraw/zinc/27/36/35/566273635.db2.gz KFFFEXPCLBYYEN-OAHLLOKOSA-N 1 1 399.285 3.111 10 5 GGBEMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462313930 566281916 /nfs/dbraw/zinc/28/19/16/566281916.db2.gz MGKNDKWIRHYZNA-GXSJLCMTSA-N 1 1 396.296 3.005 10 5 GGBEMO Cc1c(Br)cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000509638145 566322489 /nfs/dbraw/zinc/32/24/89/566322489.db2.gz IRZCDJWLEFHPNK-NSHDSACASA-N 1 1 384.274 3.270 10 5 GGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600230128 566326391 /nfs/dbraw/zinc/32/63/91/566326391.db2.gz ZWTVXZATDYDYDZ-CQSZACIVSA-N 1 1 396.285 3.494 10 5 GGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600473129 566339771 /nfs/dbraw/zinc/33/97/71/566339771.db2.gz RHNZONHOAQZUPN-AWEZNQCLSA-N 1 1 382.258 3.104 10 5 GGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000600470336 566340360 /nfs/dbraw/zinc/34/03/60/566340360.db2.gz NBAZSQXCNXWROT-GFCCVEGCSA-N 1 1 382.258 3.104 10 5 GGBEMO CC(C)[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000462872405 566362270 /nfs/dbraw/zinc/36/22/70/566362270.db2.gz FIAMFPMFHWITTP-ZDUSSCGKSA-N 1 1 390.221 3.199 10 5 GGBEMO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ncc1Br ZINC000601149170 566393409 /nfs/dbraw/zinc/39/34/09/566393409.db2.gz KDKYAUOINIGBNI-MRXNPFEDSA-N 1 1 380.242 3.058 10 5 GGBEMO CC[N@@H+](CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)CCC(F)(F)F ZINC000601155685 566393901 /nfs/dbraw/zinc/39/39/01/566393901.db2.gz LHHOAJJODLCSIU-UHFFFAOYSA-N 1 1 377.289 3.033 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511561427 566471632 /nfs/dbraw/zinc/47/16/32/566471632.db2.gz IYDPOGOCNKRANU-QGZVFWFLSA-N 1 1 395.253 3.363 10 5 GGBEMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425403917 566640379 /nfs/dbraw/zinc/64/03/79/566640379.db2.gz KRTQAZIYLXZSDH-CQSZACIVSA-N 1 1 396.285 3.192 10 5 GGBEMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425403917 566640382 /nfs/dbraw/zinc/64/03/82/566640382.db2.gz KRTQAZIYLXZSDH-CQSZACIVSA-N 1 1 396.285 3.192 10 5 GGBEMO COc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000541982381 566766264 /nfs/dbraw/zinc/76/62/64/566766264.db2.gz DVZFIAUKENMYNL-CQSZACIVSA-N 1 1 381.226 3.189 10 5 GGBEMO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000610771007 566860903 /nfs/dbraw/zinc/86/09/03/566860903.db2.gz YHYAMTSPKKRZCN-UHFFFAOYSA-N 1 1 391.269 3.251 10 5 GGBEMO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000611335497 566910479 /nfs/dbraw/zinc/91/04/79/566910479.db2.gz NHLRRXULIHMBPW-HNNXBMFYSA-N 1 1 383.495 3.148 10 5 GGBEMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327366 567356032 /nfs/dbraw/zinc/35/60/32/567356032.db2.gz GWPHLKYZQGIWPA-HNNXBMFYSA-N 1 1 399.289 3.470 10 5 GGBEMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325164 567356394 /nfs/dbraw/zinc/35/63/94/567356394.db2.gz YUGXMUJICMSWRB-TZMCWYRMSA-N 1 1 397.273 3.414 10 5 GGBEMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330459 567356481 /nfs/dbraw/zinc/35/64/81/567356481.db2.gz SWEYEVKAKMLVNC-SKDRFNHKSA-N 1 1 385.262 3.270 10 5 GGBEMO Cc1c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325868 567356576 /nfs/dbraw/zinc/35/65/76/567356576.db2.gz BEJSAWXIGLXJKY-QWRGUYRKSA-N 1 1 385.262 3.222 10 5 GGBEMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000501075281 567362728 /nfs/dbraw/zinc/36/27/28/567362728.db2.gz OYHUPJXCXJQQTG-ABAIWWIYSA-N 1 1 397.273 3.305 10 5 GGBEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000501075284 567362769 /nfs/dbraw/zinc/36/27/69/567362769.db2.gz OYHUPJXCXJQQTG-XHDPSFHLSA-N 1 1 397.273 3.305 10 5 GGBEMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501084488 567364449 /nfs/dbraw/zinc/36/44/49/567364449.db2.gz KHGOAYCKQSQMNO-UHFFFAOYSA-N 1 1 396.245 3.416 10 5 GGBEMO C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000501121926 567367644 /nfs/dbraw/zinc/36/76/44/567367644.db2.gz ZKEPURQTPIWYRI-SNVBAGLBSA-N 1 1 383.246 3.129 10 5 GGBEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551879696 567541059 /nfs/dbraw/zinc/54/10/59/567541059.db2.gz FSOXHUDIPZYDLD-NSHDSACASA-N 1 1 385.262 3.209 10 5 GGBEMO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596900674 567663696 /nfs/dbraw/zinc/66/36/96/567663696.db2.gz TUHYWHJKYPDNKV-CYBMUJFWSA-N 1 1 385.262 3.305 10 5 GGBEMO Cc1ccccc1[C@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000032978714 570570564 /nfs/dbraw/zinc/57/05/64/570570564.db2.gz ZSYZMBGPEQQTAD-INIZCTEOSA-N 1 1 382.464 3.146 10 5 GGBEMO Nc1nccc([C@@H]2CCC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000225415792 570571570 /nfs/dbraw/zinc/57/15/70/570571570.db2.gz LFGYHNQMSXNHPJ-CQSZACIVSA-N 1 1 396.476 3.470 10 5 GGBEMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000225415792 570571572 /nfs/dbraw/zinc/57/15/72/570571572.db2.gz LFGYHNQMSXNHPJ-CQSZACIVSA-N 1 1 396.476 3.470 10 5 GGBEMO Nc1nccc([C@H]2CCC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000225415833 570571582 /nfs/dbraw/zinc/57/15/82/570571582.db2.gz LFGYHNQMSXNHPJ-AWEZNQCLSA-N 1 1 396.476 3.470 10 5 GGBEMO Nc1nccc([C@H]2CCC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000225415833 570571583 /nfs/dbraw/zinc/57/15/83/570571583.db2.gz LFGYHNQMSXNHPJ-AWEZNQCLSA-N 1 1 396.476 3.470 10 5 GGBEMO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(O)cc1[N+](=O)[O-] ZINC000170595801 570853497 /nfs/dbraw/zinc/85/34/97/570853497.db2.gz UCWQMZPNDOEVOK-QGZVFWFLSA-N 1 1 383.448 3.285 10 5 GGBEMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(O)cc1[N+](=O)[O-] ZINC000170595801 570853501 /nfs/dbraw/zinc/85/35/01/570853501.db2.gz UCWQMZPNDOEVOK-QGZVFWFLSA-N 1 1 383.448 3.285 10 5 GGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000121183211 1414036561 /nfs/dbraw/zinc/03/65/61/1414036561.db2.gz BTMTYWPVIGAFSL-INIZCTEOSA-N 1 1 393.447 3.351 10 5 GGBEMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000230288674 1433372658 /nfs/dbraw/zinc/37/26/58/1433372658.db2.gz NBHREHWMXWYGLG-HOTGVXAUSA-N 1 1 378.473 3.072 10 5 GGBEMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)c1 ZINC001308038515 1126162683 /nfs/dbraw/zinc/16/26/83/1126162683.db2.gz MKAFXZVXEHBZIP-HZPDHXFCSA-N 1 1 390.308 3.497 10 5 GGBEMO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942748 1126263773 /nfs/dbraw/zinc/26/37/73/1126263773.db2.gz BMJLIIDTGPNJHE-ZBFHGGJFSA-N 1 1 399.325 3.127 10 5 GGBEMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005524665 204137728 /nfs/dbraw/zinc/13/77/28/204137728.db2.gz YLRZWWHPSAQKQT-AEFFLSMTSA-N 1 1 396.403 3.260 10 5 GGBEMO C[C@H]1CCC[N@@H+](CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000036393212 205016487 /nfs/dbraw/zinc/01/64/87/205016487.db2.gz KBEAVDUKWIOJGQ-ZDUSSCGKSA-N 1 1 389.905 3.039 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)C1 ZINC000122526780 564417444 /nfs/dbraw/zinc/41/74/44/564417444.db2.gz KNIHQFGAVQCPMO-ABAIWWIYSA-N 1 1 384.274 3.160 10 5 GGBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc(Br)c1 ZINC000046835968 564508767 /nfs/dbraw/zinc/50/87/67/564508767.db2.gz XIUBIUUUQZNTJP-HNNXBMFYSA-N 1 1 395.253 3.229 10 5 GGBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1cccc(Br)c1 ZINC000046835968 564508769 /nfs/dbraw/zinc/50/87/69/564508769.db2.gz XIUBIUUUQZNTJP-HNNXBMFYSA-N 1 1 395.253 3.229 10 5 GGBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc(Br)c1 ZINC000046835969 564509080 /nfs/dbraw/zinc/50/90/80/564509080.db2.gz XIUBIUUUQZNTJP-OAHLLOKOSA-N 1 1 395.253 3.229 10 5 GGBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1cccc(Br)c1 ZINC000046835969 564509083 /nfs/dbraw/zinc/50/90/83/564509083.db2.gz XIUBIUUUQZNTJP-OAHLLOKOSA-N 1 1 395.253 3.229 10 5 GGBEMO Cc1c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cccc1[N+](=O)[O-] ZINC000051537001 564566048 /nfs/dbraw/zinc/56/60/48/564566048.db2.gz NIJOYKCMZAMGBJ-UHFFFAOYSA-N 1 1 391.269 3.383 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@@H](C)C1 ZINC000330477746 565708994 /nfs/dbraw/zinc/70/89/94/565708994.db2.gz WRSHROYMVCHSJU-MEDUHNTESA-N 1 1 398.301 3.468 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000247459490 566061782 /nfs/dbraw/zinc/06/17/82/566061782.db2.gz QWSQYNYQIQJEGM-NHYWBVRUSA-N 1 1 384.274 3.160 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599544749 566274278 /nfs/dbraw/zinc/27/42/78/566274278.db2.gz KFFFEXPCLBYYEN-HNNXBMFYSA-N 1 1 399.285 3.111 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599544749 566274279 /nfs/dbraw/zinc/27/42/79/566274279.db2.gz KFFFEXPCLBYYEN-HNNXBMFYSA-N 1 1 399.285 3.111 10 5 GGBEMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651978 566283809 /nfs/dbraw/zinc/28/38/09/566283809.db2.gz JYLVZUWWTBKSMW-TZMCWYRMSA-N 1 1 379.258 3.432 10 5 GGBEMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653885 566284049 /nfs/dbraw/zinc/28/40/49/566284049.db2.gz WNTSHHJJEYHNSR-TZMCWYRMSA-N 1 1 379.258 3.432 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600467638 566340520 /nfs/dbraw/zinc/34/05/20/566340520.db2.gz ATRMXJFXYDZZBB-ZDUSSCGKSA-N 1 1 396.285 3.412 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511547909 566472080 /nfs/dbraw/zinc/47/20/80/566472080.db2.gz WCRVOTVZKRVJCR-QGZVFWFLSA-N 1 1 395.253 3.363 10 5 GGBEMO Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506299 566571184 /nfs/dbraw/zinc/57/11/84/566571184.db2.gz ZAHYDCPGAIXOHR-CYBMUJFWSA-N 1 1 379.258 3.470 10 5 GGBEMO Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506299 566571189 /nfs/dbraw/zinc/57/11/89/566571189.db2.gz ZAHYDCPGAIXOHR-CYBMUJFWSA-N 1 1 379.258 3.470 10 5 GGBEMO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000539382221 566577578 /nfs/dbraw/zinc/57/75/78/566577578.db2.gz JOODKHRHCBFDEE-JTQLQIEISA-N 1 1 379.214 3.042 10 5 GGBEMO 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 566810714 /nfs/dbraw/zinc/81/07/14/566810714.db2.gz AUIBGBFZGMAUOR-YPMHNXCESA-N 1 1 389.905 3.050 10 5 GGBEMO O=C(C[NH2+][C@@H](CO)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000564577630 566989253 /nfs/dbraw/zinc/98/92/53/566989253.db2.gz AOYAESWAMJGYCS-AWEZNQCLSA-N 1 1 384.219 3.163 10 5 GGBEMO C[N@@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000433025201 567217591 /nfs/dbraw/zinc/21/75/91/567217591.db2.gz IUGQDKQNSQFGBH-UHFFFAOYSA-N 1 1 384.274 3.352 10 5 GGBEMO CC[N@H+](CCSC)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000592204734 567321087 /nfs/dbraw/zinc/32/10/87/567321087.db2.gz VONXRBKPTAXPOB-UHFFFAOYSA-N 1 1 380.495 3.342 10 5 GGBEMO CC[N@@H+](CCSC)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000592204734 567321090 /nfs/dbraw/zinc/32/10/90/567321090.db2.gz VONXRBKPTAXPOB-UHFFFAOYSA-N 1 1 380.495 3.342 10 5 GGBEMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000435327367 567355924 /nfs/dbraw/zinc/35/59/24/567355924.db2.gz GWPHLKYZQGIWPA-OAHLLOKOSA-N 1 1 399.289 3.470 10 5 GGBEMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330457 567356148 /nfs/dbraw/zinc/35/61/48/567356148.db2.gz SWEYEVKAKMLVNC-CABZTGNLSA-N 1 1 385.262 3.270 10 5 GGBEMO Cc1c(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325824 567356221 /nfs/dbraw/zinc/35/62/21/567356221.db2.gz CMCJTAMXXOAFJT-LBPRGKRZSA-N 1 1 399.289 3.471 10 5 GGBEMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325161 567356675 /nfs/dbraw/zinc/35/66/75/567356675.db2.gz YUGXMUJICMSWRB-GXTWGEPZSA-N 1 1 397.273 3.414 10 5 GGBEMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000501068614 567362268 /nfs/dbraw/zinc/36/22/68/567362268.db2.gz GSNTXABDXFGXOW-MFKMUULPSA-N 1 1 385.262 3.304 10 5 GGBEMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501121313 567365672 /nfs/dbraw/zinc/36/56/72/567365672.db2.gz VOVOZNWGYJTIBD-UHFFFAOYSA-N 1 1 396.245 3.464 10 5 GGBEMO Cc1c(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541006 567463546 /nfs/dbraw/zinc/46/35/46/567463546.db2.gz XWHFGLDUBNXHME-LLVKDONJSA-N 1 1 385.262 3.129 10 5 GGBEMO CC[N@H+]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000619541665 567463585 /nfs/dbraw/zinc/46/35/85/567463585.db2.gz XQERJXSGHQGNSM-SNVBAGLBSA-N 1 1 385.262 3.224 10 5 GGBEMO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541010 567463979 /nfs/dbraw/zinc/46/39/79/567463979.db2.gz XWHFGLDUBNXHME-NSHDSACASA-N 1 1 385.262 3.129 10 5 GGBEMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000570408524 567481897 /nfs/dbraw/zinc/48/18/97/567481897.db2.gz SLYVMYNPYSDEDA-GFCCVEGCSA-N 1 1 385.262 3.224 10 5 GGBEMO O=[N+]([O-])c1ccc(O)cc1CN(CCO)Cc1cc(Br)cs1 ZINC000571109009 567538058 /nfs/dbraw/zinc/53/80/58/567538058.db2.gz IKWCZKOSJOTMTD-UHFFFAOYSA-N 1 1 387.255 3.119 10 5 GGBEMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595252413 567550089 /nfs/dbraw/zinc/55/00/89/567550089.db2.gz HKPSIBIQLBEJNR-UHFFFAOYSA-N 1 1 394.250 3.225 10 5 GGBEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)cc1[N+](=O)[O-] ZINC000571469538 567565516 /nfs/dbraw/zinc/56/55/16/567565516.db2.gz AWPVWNHQKNAETH-GFCCVEGCSA-N 1 1 383.495 3.066 10 5 GGBEMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595851309 567586751 /nfs/dbraw/zinc/58/67/51/567586751.db2.gz QROZAVWFHCRGJP-CYBMUJFWSA-N 1 1 384.274 3.094 10 5 GGBEMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595851309 567586755 /nfs/dbraw/zinc/58/67/55/567586755.db2.gz QROZAVWFHCRGJP-CYBMUJFWSA-N 1 1 384.274 3.094 10 5 GGBEMO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000530323095 567592091 /nfs/dbraw/zinc/59/20/91/567592091.db2.gz VAXHOKGRVCYOES-UHFFFAOYSA-N 1 1 381.230 3.010 10 5 GGBEMO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596267868 567619825 /nfs/dbraw/zinc/61/98/25/567619825.db2.gz AOUZSOYIOBMPGD-UHFFFAOYSA-N 1 1 398.301 3.357 10 5 GGBEMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000459550117 567636085 /nfs/dbraw/zinc/63/60/85/567636085.db2.gz HHHVZQWLJBXYNA-NSHDSACASA-N 1 1 385.262 3.211 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000598947087 567799824 /nfs/dbraw/zinc/79/98/24/567799824.db2.gz YBPSUQSDCSUBGA-UHFFFAOYSA-N 1 1 378.226 3.319 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nccc(Br)c2C1 ZINC000598947087 567799825 /nfs/dbraw/zinc/79/98/25/567799825.db2.gz YBPSUQSDCSUBGA-UHFFFAOYSA-N 1 1 378.226 3.319 10 5 GGBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)c3cccc(Br)c3)nc2c1 ZINC000444675617 567810326 /nfs/dbraw/zinc/81/03/26/567810326.db2.gz RXDDMQWRCQSZOP-HNNXBMFYSA-N 1 1 391.225 3.057 10 5 GGBEMO Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000012879874 570277319 /nfs/dbraw/zinc/27/73/19/570277319.db2.gz YJJAVAXPKFESPM-MRXNPFEDSA-N 1 1 396.447 3.192 10 5 GGBEMO Cc1c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000012879874 570277323 /nfs/dbraw/zinc/27/73/23/570277323.db2.gz YJJAVAXPKFESPM-MRXNPFEDSA-N 1 1 396.447 3.192 10 5 GGBEMO Cc1c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000012879881 570277404 /nfs/dbraw/zinc/27/74/04/570277404.db2.gz YJJAVAXPKFESPM-INIZCTEOSA-N 1 1 396.447 3.192 10 5 GGBEMO Cc1c(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000012879881 570277406 /nfs/dbraw/zinc/27/74/06/570277406.db2.gz YJJAVAXPKFESPM-INIZCTEOSA-N 1 1 396.447 3.192 10 5 GGBEMO Cc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000032978713 570570844 /nfs/dbraw/zinc/57/08/44/570570844.db2.gz ZSYZMBGPEQQTAD-MRXNPFEDSA-N 1 1 382.464 3.146 10 5 GGBEMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000089875044 570917788 /nfs/dbraw/zinc/91/77/88/570917788.db2.gz XYFLDHDBZGWWFF-OAHLLOKOSA-N 1 1 385.445 3.044 10 5 GGBEMO CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000107535993 570974893 /nfs/dbraw/zinc/97/48/93/570974893.db2.gz COUVHWMTKHUUIE-JSGCOSHPSA-N 1 1 378.860 3.078 10 5 GGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000121179299 1414035237 /nfs/dbraw/zinc/03/52/37/1414035237.db2.gz CIDROMONQZVEGE-KRWDZBQOSA-N 1 1 382.464 3.048 10 5 GGBEMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000124089995 1414883871 /nfs/dbraw/zinc/88/38/71/1414883871.db2.gz GZZFNULMAKPJDO-HOTGVXAUSA-N 1 1 383.448 3.481 10 5 GGBEMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000180607750 1429930227 /nfs/dbraw/zinc/93/02/27/1429930227.db2.gz FIUAPVCNGFOMBO-BEFAXECRSA-N 1 1 380.452 3.275 10 5 GGBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278182132 1435367118 /nfs/dbraw/zinc/36/71/18/1435367118.db2.gz DBYZXBZNLVHDBD-CQSZACIVSA-N 1 1 395.385 3.362 10 5 GGBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc2c1 ZINC001197298282 1126154118 /nfs/dbraw/zinc/15/41/18/1126154118.db2.gz WBKUEFYLEQLHAY-RDJZCZTQSA-N 1 1 394.353 3.095 10 5 GGBEMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)c1 ZINC001308038513 1126162669 /nfs/dbraw/zinc/16/26/69/1126162669.db2.gz MKAFXZVXEHBZIP-CVEARBPZSA-N 1 1 390.308 3.497 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001654629394 1126253992 /nfs/dbraw/zinc/25/39/92/1126253992.db2.gz DEXVNGSKWWVMNJ-RDJZCZTQSA-N 1 1 384.354 3.228 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001654629393 1126254123 /nfs/dbraw/zinc/25/41/23/1126254123.db2.gz DEXVNGSKWWVMNJ-NVXWUHKLSA-N 1 1 384.354 3.228 10 5 GGBEMO CC[NH+]1CCN(C(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)CC1 ZINC000020643548 207208654 /nfs/dbraw/zinc/20/86/54/207208654.db2.gz MILHBHFLQLMMRP-UHFFFAOYSA-N 1 1 391.500 3.102 10 5 GGBEMO CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000089949222 136175881 /nfs/dbraw/zinc/17/58/81/136175881.db2.gz COUVHWMTKHUUIE-OCCSQVGLSA-N 1 1 378.860 3.078 10 5 GGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000122262655 564406983 /nfs/dbraw/zinc/40/69/83/564406983.db2.gz IJLZUKDFQUWUNI-CQSZACIVSA-N 1 1 377.242 3.439 10 5 GGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000122262655 564406987 /nfs/dbraw/zinc/40/69/87/564406987.db2.gz IJLZUKDFQUWUNI-CQSZACIVSA-N 1 1 377.242 3.439 10 5 GGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126430711 564548266 /nfs/dbraw/zinc/54/82/66/564548266.db2.gz CBINDLZQPQNHIW-ZDUSSCGKSA-N 1 1 384.274 3.222 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000151574796 564927106 /nfs/dbraw/zinc/92/71/06/564927106.db2.gz NWADBXUCILMBJP-ABAIWWIYSA-N 1 1 398.301 3.468 10 5 GGBEMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151623326 564930444 /nfs/dbraw/zinc/93/04/44/564930444.db2.gz BRGDPLHTDGDKRH-SECBINFHSA-N 1 1 390.665 3.082 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000153018403 564981691 /nfs/dbraw/zinc/98/16/91/564981691.db2.gz LPNZXFULJUIRBG-WBMJQRKESA-N 1 1 398.301 3.089 10 5 GGBEMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000155151906 565062942 /nfs/dbraw/zinc/06/29/42/565062942.db2.gz JNICKONXEOWOJQ-PWSUYJOCSA-N 1 1 385.262 3.304 10 5 GGBEMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000295192252 565250767 /nfs/dbraw/zinc/25/07/67/565250767.db2.gz JPKWPNPHYLJXRB-VHSXEESVSA-N 1 1 396.296 3.005 10 5 GGBEMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000373290695 565277584 /nfs/dbraw/zinc/27/75/84/565277584.db2.gz BOMWZBRVVIBNRA-UHFFFAOYSA-N 1 1 375.376 3.412 10 5 GGBEMO O=C(NCc1c[nH+]c2n1CCCC2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000375541178 565394736 /nfs/dbraw/zinc/39/47/36/565394736.db2.gz QIHRYXHLTXMJSP-UHFFFAOYSA-N 1 1 394.229 3.212 10 5 GGBEMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000377322744 565474899 /nfs/dbraw/zinc/47/48/99/565474899.db2.gz QNKYMAKPEUZYGV-UHFFFAOYSA-N 1 1 393.241 3.340 10 5 GGBEMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2cnc[nH]2)CC1 ZINC000378076414 565511332 /nfs/dbraw/zinc/51/13/32/565511332.db2.gz LNBIPSVSLBRPBN-UHFFFAOYSA-N 1 1 379.214 3.100 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000278022485 565534704 /nfs/dbraw/zinc/53/47/04/565534704.db2.gz QCZDRORORZDXAN-ZJUUUORDSA-N 1 1 390.303 3.221 10 5 GGBEMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[N@H+]2CCC[C@H]2C1 ZINC000408123928 565595594 /nfs/dbraw/zinc/59/55/94/565595594.db2.gz KZNLBMVQIRBDHY-LBPRGKRZSA-N 1 1 377.242 3.190 10 5 GGBEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000173969538 565603302 /nfs/dbraw/zinc/60/33/02/565603302.db2.gz AQMWUUJZIDXPKZ-GFCCVEGCSA-N 1 1 379.404 3.279 10 5 GGBEMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000173969538 565603308 /nfs/dbraw/zinc/60/33/08/565603308.db2.gz AQMWUUJZIDXPKZ-GFCCVEGCSA-N 1 1 379.404 3.279 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000192347214 565682587 /nfs/dbraw/zinc/68/25/87/565682587.db2.gz LQCJXCQDOUKMHB-YPMHNXCESA-N 1 1 384.274 3.160 10 5 GGBEMO CC[N@H+]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280639148 565686233 /nfs/dbraw/zinc/68/62/33/565686233.db2.gz BCFKSVCOUHTRDN-UHFFFAOYSA-N 1 1 385.262 3.225 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000284401688 565852897 /nfs/dbraw/zinc/85/28/97/565852897.db2.gz QQOVCCPNEDFGAP-CMPLNLGQSA-N 1 1 384.274 3.220 10 5 GGBEMO O=[N+]([O-])c1cnccc1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413613450 565862825 /nfs/dbraw/zinc/86/28/25/565862825.db2.gz GARJWMVGFAFDLE-UHFFFAOYSA-N 1 1 391.269 3.251 10 5 GGBEMO Cc1c(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366722939 566165318 /nfs/dbraw/zinc/16/53/18/566165318.db2.gz AGZBQUDYVYNFDX-CYBMUJFWSA-N 1 1 397.273 3.368 10 5 GGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599384138 566260136 /nfs/dbraw/zinc/26/01/36/566260136.db2.gz IQDJCXOFMRYKLI-TXEJJXNPSA-N 1 1 384.274 3.350 10 5 GGBEMO Cc1c[nH+]cn1C1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599776359 566295325 /nfs/dbraw/zinc/29/53/25/566295325.db2.gz RRPUMTJBQYPMCL-UHFFFAOYSA-N 1 1 393.241 3.340 10 5 GGBEMO O=[N+]([O-])c1sc(C[N@@H+](CCO)C2CCSCC2)cc1Br ZINC000602679357 566487051 /nfs/dbraw/zinc/48/70/51/566487051.db2.gz DSPOLIQRIRCLKW-UHFFFAOYSA-N 1 1 381.317 3.109 10 5 GGBEMO O=[N+]([O-])c1sc(C[N@H+](CCO)C2CCSCC2)cc1Br ZINC000602679357 566487063 /nfs/dbraw/zinc/48/70/63/566487063.db2.gz DSPOLIQRIRCLKW-UHFFFAOYSA-N 1 1 381.317 3.109 10 5 GGBEMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000538718110 566529637 /nfs/dbraw/zinc/52/96/37/566529637.db2.gz VWGHMSDQBQAAKQ-ZDUSSCGKSA-N 1 1 380.491 3.190 10 5 GGBEMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000538718110 566529647 /nfs/dbraw/zinc/52/96/47/566529647.db2.gz VWGHMSDQBQAAKQ-ZDUSSCGKSA-N 1 1 380.491 3.190 10 5 GGBEMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425403916 566640483 /nfs/dbraw/zinc/64/04/83/566640483.db2.gz KRTQAZIYLXZSDH-AWEZNQCLSA-N 1 1 396.285 3.192 10 5 GGBEMO O=C([C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425403916 566640489 /nfs/dbraw/zinc/64/04/89/566640489.db2.gz KRTQAZIYLXZSDH-AWEZNQCLSA-N 1 1 396.285 3.192 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000425420334 566641298 /nfs/dbraw/zinc/64/12/98/566641298.db2.gz PASNUNHZQPJJAK-MRXNPFEDSA-N 1 1 398.301 3.044 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000425420333 566641811 /nfs/dbraw/zinc/64/18/11/566641811.db2.gz PASNUNHZQPJJAK-INIZCTEOSA-N 1 1 398.301 3.044 10 5 GGBEMO COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000541982380 566765706 /nfs/dbraw/zinc/76/57/06/566765706.db2.gz DVZFIAUKENMYNL-AWEZNQCLSA-N 1 1 381.226 3.189 10 5 GGBEMO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000611335498 566910639 /nfs/dbraw/zinc/91/06/39/566910639.db2.gz NHLRRXULIHMBPW-OAHLLOKOSA-N 1 1 383.495 3.148 10 5 GGBEMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000494222279 566977054 /nfs/dbraw/zinc/97/70/54/566977054.db2.gz DYGHTDKXTKAFMB-UHFFFAOYSA-N 1 1 385.283 3.456 10 5 GGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431033700 567049333 /nfs/dbraw/zinc/04/93/33/567049333.db2.gz RDUWJKBWWBOFAM-TXEJJXNPSA-N 1 1 384.274 3.350 10 5 GGBEMO COc1ccc(Br)cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495510903 567062991 /nfs/dbraw/zinc/06/29/91/567062991.db2.gz CMHYPKOJQPKQEM-UHFFFAOYSA-N 1 1 378.226 3.319 10 5 GGBEMO COc1ccc(Br)cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495510903 567062994 /nfs/dbraw/zinc/06/29/94/567062994.db2.gz CMHYPKOJQPKQEM-UHFFFAOYSA-N 1 1 378.226 3.319 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000585699786 567080394 /nfs/dbraw/zinc/08/03/94/567080394.db2.gz NQMPKVLTLXOEIP-YHWZYXNKSA-N 1 1 396.285 3.411 10 5 GGBEMO CN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474782944 567199595 /nfs/dbraw/zinc/19/95/95/567199595.db2.gz GWBKEOKZPYZOBH-CQSZACIVSA-N 1 1 391.269 3.463 10 5 GGBEMO CN(c1ncc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474782944 567199604 /nfs/dbraw/zinc/19/96/04/567199604.db2.gz GWBKEOKZPYZOBH-CQSZACIVSA-N 1 1 391.269 3.463 10 5 GGBEMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000475728324 567269255 /nfs/dbraw/zinc/26/92/55/567269255.db2.gz AYCYUXCUCNPKEV-UHFFFAOYSA-N 1 1 379.258 3.466 10 5 GGBEMO CCCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592258921 567325800 /nfs/dbraw/zinc/32/58/00/567325800.db2.gz YCWWVUQYELQDNG-CYBMUJFWSA-N 1 1 385.262 3.305 10 5 GGBEMO CC[N@@H+](CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)C1CC1 ZINC000435327939 567356093 /nfs/dbraw/zinc/35/60/93/567356093.db2.gz JGNRNKKTCMPTBE-UHFFFAOYSA-N 1 1 385.262 3.272 10 5 GGBEMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435330458 567356686 /nfs/dbraw/zinc/35/66/86/567356686.db2.gz SWEYEVKAKMLVNC-JOYOIKCWSA-N 1 1 385.262 3.270 10 5 GGBEMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000501068612 567362407 /nfs/dbraw/zinc/36/24/07/567362407.db2.gz GSNTXABDXFGXOW-GWCFXTLKSA-N 1 1 385.262 3.304 10 5 GGBEMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000501068613 567363191 /nfs/dbraw/zinc/36/31/91/567363191.db2.gz GSNTXABDXFGXOW-GXFFZTMASA-N 1 1 385.262 3.304 10 5 GGBEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000501075283 567363284 /nfs/dbraw/zinc/36/32/84/567363284.db2.gz OYHUPJXCXJQQTG-NHYWBVRUSA-N 1 1 397.273 3.305 10 5 GGBEMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501086791 567364643 /nfs/dbraw/zinc/36/46/43/567364643.db2.gz XFRURNZBCVRHOQ-NSHDSACASA-N 1 1 385.262 3.163 10 5 GGBEMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501119090 567366598 /nfs/dbraw/zinc/36/65/98/567366598.db2.gz IFTCGMOXERZGQB-UHFFFAOYSA-N 1 1 382.218 3.074 10 5 GGBEMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070735 567384228 /nfs/dbraw/zinc/38/42/28/567384228.db2.gz PJBIZUDDYJEHBK-CYBMUJFWSA-N 1 1 390.221 3.200 10 5 GGBEMO O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595249826 567549772 /nfs/dbraw/zinc/54/97/72/567549772.db2.gz LQGAZEWIDOCJQZ-UHFFFAOYSA-N 1 1 394.250 3.225 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268298 567620175 /nfs/dbraw/zinc/62/01/75/567620175.db2.gz JGHYUYJTGDSFMQ-UHFFFAOYSA-N 1 1 384.274 3.048 10 5 GGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000598465296 567770395 /nfs/dbraw/zinc/77/03/95/567770395.db2.gz LHZBQPVMDFHZPD-UHFFFAOYSA-N 1 1 378.292 3.269 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000598945138 567799872 /nfs/dbraw/zinc/79/98/72/567799872.db2.gz FGTKWPSYRLMMEF-UHFFFAOYSA-N 1 1 378.226 3.319 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nccc(Br)c2C1 ZINC000598945138 567799874 /nfs/dbraw/zinc/79/98/74/567799874.db2.gz FGTKWPSYRLMMEF-UHFFFAOYSA-N 1 1 378.226 3.319 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000534134108 567801628 /nfs/dbraw/zinc/80/16/28/567801628.db2.gz BDMAKVWKRZVDIG-MRXNPFEDSA-N 1 1 392.253 3.356 10 5 GGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000534134108 567801630 /nfs/dbraw/zinc/80/16/30/567801630.db2.gz BDMAKVWKRZVDIG-MRXNPFEDSA-N 1 1 392.253 3.356 10 5 GGBEMO COc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000048287969 570228054 /nfs/dbraw/zinc/22/80/54/570228054.db2.gz UGANMCUCLAPESX-IBGZPJMESA-N 1 1 383.448 3.273 10 5 GGBEMO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000005200248 570500661 /nfs/dbraw/zinc/50/06/61/570500661.db2.gz YMIUTQPPEVLMNB-SFHVURJKSA-N 1 1 386.452 3.211 10 5 GGBEMO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583623197 570801496 /nfs/dbraw/zinc/80/14/96/570801496.db2.gz WZBQWJJYRFUYCA-CQSZACIVSA-N 1 1 395.419 3.056 10 5 GGBEMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245732786 1433507406 /nfs/dbraw/zinc/50/74/06/1433507406.db2.gz FIUAPVCNGFOMBO-HNAYVOBHSA-N 1 1 380.452 3.275 10 5 GGBEMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282394314 1435845692 /nfs/dbraw/zinc/84/56/92/1435845692.db2.gz HCVOHSTXLICNKQ-CQSZACIVSA-N 1 1 384.436 3.055 10 5 GGBEMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282394314 1435845693 /nfs/dbraw/zinc/84/56/93/1435845693.db2.gz HCVOHSTXLICNKQ-CQSZACIVSA-N 1 1 384.436 3.055 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001654629392 1126254100 /nfs/dbraw/zinc/25/41/00/1126254100.db2.gz DEXVNGSKWWVMNJ-DOTOQJQBSA-N 1 1 384.354 3.228 10 5 GGBEMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001659942747 1126263700 /nfs/dbraw/zinc/26/37/00/1126263700.db2.gz BMJLIIDTGPNJHE-HOCLYGCPSA-N 1 1 399.325 3.127 10 5 GGBEMO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000012819106 210014509 /nfs/dbraw/zinc/01/45/09/210014509.db2.gz NPAPLURSFNNWML-UHFFFAOYSA-N 1 1 382.416 3.461 10 5 GGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126430420 564548286 /nfs/dbraw/zinc/54/82/86/564548286.db2.gz CBINDLZQPQNHIW-CYBMUJFWSA-N 1 1 384.274 3.222 10 5 GGBEMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000155152003 565062888 /nfs/dbraw/zinc/06/28/88/565062888.db2.gz JNICKONXEOWOJQ-JQWIXIFHSA-N 1 1 385.262 3.304 10 5 GGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000160493218 565248470 /nfs/dbraw/zinc/24/84/70/565248470.db2.gz RSIXTMUNHREUAU-OAHLLOKOSA-N 1 1 398.301 3.136 10 5 GGBEMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375540530 565393994 /nfs/dbraw/zinc/39/39/94/565393994.db2.gz NSHYGYYSTMKDER-WCQYABFASA-N 1 1 383.246 3.106 10 5 GGBEMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375540524 565394503 /nfs/dbraw/zinc/39/45/03/565394503.db2.gz NSHYGYYSTMKDER-AAEUAGOBSA-N 1 1 383.246 3.106 10 5 GGBEMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375540526 565394711 /nfs/dbraw/zinc/39/47/11/565394711.db2.gz NSHYGYYSTMKDER-DGCLKSJQSA-N 1 1 383.246 3.106 10 5 GGBEMO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376700091 565450016 /nfs/dbraw/zinc/45/00/16/565450016.db2.gz LGMMTWLKBHCZLV-PBWFPOADSA-N 1 1 397.273 3.446 10 5 GGBEMO C[C@H]1C[N@H+](C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301178211 565470631 /nfs/dbraw/zinc/47/06/31/565470631.db2.gz MDDVXKJJOOJOEH-LBPRGKRZSA-N 1 1 384.274 3.047 10 5 GGBEMO O=[N+]([O-])c1cc(Br)ccc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000301269888 565477181 /nfs/dbraw/zinc/47/71/81/565477181.db2.gz QOCQKNWHXRTXRX-CQSZACIVSA-N 1 1 384.274 3.048 10 5 GGBEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000173969551 565602768 /nfs/dbraw/zinc/60/27/68/565602768.db2.gz AQMWUUJZIDXPKZ-LBPRGKRZSA-N 1 1 379.404 3.279 10 5 GGBEMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000173969551 565602776 /nfs/dbraw/zinc/60/27/76/565602776.db2.gz AQMWUUJZIDXPKZ-LBPRGKRZSA-N 1 1 379.404 3.279 10 5 GGBEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383967 565606521 /nfs/dbraw/zinc/60/65/21/565606521.db2.gz FAGSIBVSWCGLGK-YPMHNXCESA-N 1 1 382.258 3.056 10 5 GGBEMO Cc1c(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280705389 565690147 /nfs/dbraw/zinc/69/01/47/565690147.db2.gz IFKGDXCNIGLCDL-LLVKDONJSA-N 1 1 397.273 3.438 10 5 GGBEMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000280816706 565697751 /nfs/dbraw/zinc/69/77/51/565697751.db2.gz SYIPOOYRJJDRQI-LBPRGKRZSA-N 1 1 399.289 3.471 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[C@H](C)C1 ZINC000330477745 565708806 /nfs/dbraw/zinc/70/88/06/565708806.db2.gz WRSHROYMVCHSJU-BZNIZROVSA-N 1 1 398.301 3.468 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000176004728 565739867 /nfs/dbraw/zinc/73/98/67/565739867.db2.gz QGXATPDPVXRDRT-RISCZKNCSA-N 1 1 384.274 3.160 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246012502 566013201 /nfs/dbraw/zinc/01/32/01/566013201.db2.gz RUEDNIHNENQTMO-NHYWBVRUSA-N 1 1 384.274 3.160 10 5 GGBEMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766867 566168961 /nfs/dbraw/zinc/16/89/61/566168961.db2.gz MQIFRXWUIKMAGJ-QWHCGFSZSA-N 1 1 397.273 3.414 10 5 GGBEMO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599573094 566275442 /nfs/dbraw/zinc/27/54/42/566275442.db2.gz MDBJCOAZYOIXDR-CQSZACIVSA-N 1 1 395.257 3.400 10 5 GGBEMO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599573094 566275445 /nfs/dbraw/zinc/27/54/45/566275445.db2.gz MDBJCOAZYOIXDR-CQSZACIVSA-N 1 1 395.257 3.400 10 5 GGBEMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599653884 566283825 /nfs/dbraw/zinc/28/38/25/566283825.db2.gz WNTSHHJJEYHNSR-OCCSQVGLSA-N 1 1 379.258 3.432 10 5 GGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446049738 566325816 /nfs/dbraw/zinc/32/58/16/566325816.db2.gz CHHCLTGQDRXKOE-BETUJISGSA-N 1 1 398.301 3.279 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600467635 566340629 /nfs/dbraw/zinc/34/06/29/566340629.db2.gz ATRMXJFXYDZZBB-CYBMUJFWSA-N 1 1 396.285 3.412 10 5 GGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600473198 566340649 /nfs/dbraw/zinc/34/06/49/566340649.db2.gz UMNLVVZOPXEACE-ZDUSSCGKSA-N 1 1 382.258 3.104 10 5 GGBEMO Cc1c(Br)cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000510442818 566382414 /nfs/dbraw/zinc/38/24/14/566382414.db2.gz KYDBTSDMVMWQSG-AGUYFDCRSA-N 1 1 396.285 3.411 10 5 GGBEMO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000511588079 566473825 /nfs/dbraw/zinc/47/38/25/566473825.db2.gz YIZDVSNWBMKEFI-INIZCTEOSA-N 1 1 383.217 3.494 10 5 GGBEMO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1 ZINC000511588080 566473973 /nfs/dbraw/zinc/47/39/73/566473973.db2.gz YIZDVSNWBMKEFI-MRXNPFEDSA-N 1 1 383.217 3.494 10 5 GGBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000538390665 566510030 /nfs/dbraw/zinc/51/00/30/566510030.db2.gz UCHSQLZUYCCJAH-UHFFFAOYSA-N 1 1 384.267 3.310 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000559517928 566554117 /nfs/dbraw/zinc/55/41/17/566554117.db2.gz PHXHGZQOJXWBJI-NSHDSACASA-N 1 1 384.274 3.270 10 5 GGBEMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH+](C2CC2)CC1 ZINC000604472663 566566672 /nfs/dbraw/zinc/56/66/72/566566672.db2.gz CVDOWANBYGBSDU-UHFFFAOYSA-N 1 1 377.242 3.190 10 5 GGBEMO Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506301 566571674 /nfs/dbraw/zinc/57/16/74/566571674.db2.gz ZAHYDCPGAIXOHR-ZDUSSCGKSA-N 1 1 379.258 3.470 10 5 GGBEMO Cn1ncc(Br)c1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506301 566571677 /nfs/dbraw/zinc/57/16/77/566571677.db2.gz ZAHYDCPGAIXOHR-ZDUSSCGKSA-N 1 1 379.258 3.470 10 5 GGBEMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] ZINC000539382222 566576921 /nfs/dbraw/zinc/57/69/21/566576921.db2.gz JOODKHRHCBFDEE-SNVBAGLBSA-N 1 1 379.214 3.042 10 5 GGBEMO Cn1c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)ccc1[N+](=O)[O-] ZINC000467033033 566618571 /nfs/dbraw/zinc/61/85/71/566618571.db2.gz JUKPLZXMLNMHEX-UHFFFAOYSA-N 1 1 381.230 3.010 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000430202832 567000422 /nfs/dbraw/zinc/00/04/22/567000422.db2.gz DJNJRITYFJRNEC-HNNXBMFYSA-N 1 1 381.226 3.189 10 5 GGBEMO C[N@@H+](CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCCC1 ZINC000431024502 567047222 /nfs/dbraw/zinc/04/72/22/567047222.db2.gz PDGQBGSOBCDUOD-UHFFFAOYSA-N 1 1 384.274 3.352 10 5 GGBEMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccc(Br)c2)CC2CC2)c1 ZINC000475728973 567270293 /nfs/dbraw/zinc/27/02/93/567270293.db2.gz CXOWTHPPKYBDGL-UHFFFAOYSA-N 1 1 379.258 3.466 10 5 GGBEMO C[N@@H+](CCCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000455401980 567270508 /nfs/dbraw/zinc/27/05/08/567270508.db2.gz NAFNUXHDEUFMAF-UHFFFAOYSA-N 1 1 385.262 3.353 10 5 GGBEMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325163 567356067 /nfs/dbraw/zinc/35/60/67/567356067.db2.gz YUGXMUJICMSWRB-OCCSQVGLSA-N 1 1 397.273 3.414 10 5 GGBEMO Cc1c(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435325822 567356184 /nfs/dbraw/zinc/35/61/84/567356184.db2.gz CMCJTAMXXOAFJT-GFCCVEGCSA-N 1 1 399.289 3.471 10 5 GGBEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501105839 567364591 /nfs/dbraw/zinc/36/45/91/567364591.db2.gz JNRMPTTWWKFKBO-KGLIPLIRSA-N 1 1 397.273 3.448 10 5 GGBEMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070738 567384112 /nfs/dbraw/zinc/38/41/12/567384112.db2.gz PJBIZUDDYJEHBK-ZDUSSCGKSA-N 1 1 390.221 3.200 10 5 GGBEMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541200 567463749 /nfs/dbraw/zinc/46/37/49/567463749.db2.gz ABUSSBUDXXPFDH-CYBMUJFWSA-N 1 1 397.273 3.272 10 5 GGBEMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619541201 567463838 /nfs/dbraw/zinc/46/38/38/567463838.db2.gz ABUSSBUDXXPFDH-ZDUSSCGKSA-N 1 1 397.273 3.272 10 5 GGBEMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000570408525 567482240 /nfs/dbraw/zinc/48/22/40/567482240.db2.gz SLYVMYNPYSDEDA-LBPRGKRZSA-N 1 1 385.262 3.224 10 5 GGBEMO Cc1sc(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)cc1[N+](=O)[O-] ZINC000619866859 567484329 /nfs/dbraw/zinc/48/43/29/567484329.db2.gz FMDPHTTVGZZXHF-UHFFFAOYSA-N 1 1 383.857 3.295 10 5 GGBEMO Cc1sc(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)cc1[N+](=O)[O-] ZINC000619866859 567484333 /nfs/dbraw/zinc/48/43/33/567484333.db2.gz FMDPHTTVGZZXHF-UHFFFAOYSA-N 1 1 383.857 3.295 10 5 GGBEMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551879695 567540211 /nfs/dbraw/zinc/54/02/11/567540211.db2.gz FSOXHUDIPZYDLD-LLVKDONJSA-N 1 1 385.262 3.209 10 5 GGBEMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)cc1[N+](=O)[O-] ZINC000571469541 567565096 /nfs/dbraw/zinc/56/50/96/567565096.db2.gz AWPVWNHQKNAETH-LBPRGKRZSA-N 1 1 383.495 3.066 10 5 GGBEMO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595851320 567587187 /nfs/dbraw/zinc/58/71/87/567587187.db2.gz QROZAVWFHCRGJP-ZDUSSCGKSA-N 1 1 384.274 3.094 10 5 GGBEMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595851320 567587195 /nfs/dbraw/zinc/58/71/95/567587195.db2.gz QROZAVWFHCRGJP-ZDUSSCGKSA-N 1 1 384.274 3.094 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597861919 567721207 /nfs/dbraw/zinc/72/12/07/567721207.db2.gz YCRQREYVWBVJCN-NSHDSACASA-N 1 1 384.274 3.268 10 5 GGBEMO COc1cc(C[N@@H+]2CCCSCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000508637141 567758261 /nfs/dbraw/zinc/75/82/61/567758261.db2.gz KQOUNPXPWMYPPH-UHFFFAOYSA-N 1 1 380.388 3.483 10 5 GGBEMO COc1cc(C[N@H+]2CCCSCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000508637141 567758264 /nfs/dbraw/zinc/75/82/64/567758264.db2.gz KQOUNPXPWMYPPH-UHFFFAOYSA-N 1 1 380.388 3.483 10 5 GGBEMO COc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000048287967 570228072 /nfs/dbraw/zinc/22/80/72/570228072.db2.gz UGANMCUCLAPESX-LJQANCHMSA-N 1 1 383.448 3.273 10 5 GGBEMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000248097169 570440033 /nfs/dbraw/zinc/44/00/33/570440033.db2.gz YLRZWWHPSAQKQT-SJLPKXTDSA-N 1 1 396.403 3.260 10 5 GGBEMO O=C1NC2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)Nc2cccc(Cl)c21 ZINC000034812244 570801520 /nfs/dbraw/zinc/80/15/20/570801520.db2.gz LCLRGSRKIFFCJX-UHFFFAOYSA-N 1 1 386.839 3.396 10 5 GGBEMO CC[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000107535989 570974952 /nfs/dbraw/zinc/97/49/52/570974952.db2.gz COUVHWMTKHUUIE-GXTWGEPZSA-N 1 1 378.860 3.078 10 5 GGBEMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003178565 1398327261 /nfs/dbraw/zinc/32/72/61/1398327261.db2.gz YLRZWWHPSAQKQT-WMZOPIPTSA-N 1 1 396.403 3.260 10 5 GGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000045799540 1404207734 /nfs/dbraw/zinc/20/77/34/1404207734.db2.gz IFOPMLOSKVBIKB-UHFFFAOYSA-N 1 1 382.464 3.050 10 5 GGBEMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nc2c1 ZINC001308037758 1126162528 /nfs/dbraw/zinc/16/25/28/1126162528.db2.gz GCUWMEAWBNFEFC-PBHICJAKSA-N 1 1 395.337 3.360 10 5 GGBEMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)c1 ZINC001308038516 1126162720 /nfs/dbraw/zinc/16/27/20/1126162720.db2.gz MKAFXZVXEHBZIP-JKSUJKDBSA-N 1 1 390.308 3.497 10 5 GGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001654629395 1126253961 /nfs/dbraw/zinc/25/39/61/1126253961.db2.gz DEXVNGSKWWVMNJ-WBVHZDCISA-N 1 1 384.354 3.228 10 5 GGBEMO CC[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000089949221 136175800 /nfs/dbraw/zinc/17/58/00/136175800.db2.gz COUVHWMTKHUUIE-TZMCWYRMSA-N 1 1 378.860 3.078 10 5 GGBEMO O=C1NC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000064963727 222090212 /nfs/dbraw/zinc/09/02/12/222090212.db2.gz AOCITCIKFNGMHI-UHFFFAOYSA-N 1 1 398.850 3.159 10 5 GGBEMO COCC[N@@H+](C)C[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095944987 222362969 /nfs/dbraw/zinc/36/29/69/222362969.db2.gz PDEAYAVHGDKZMM-IBGZPJMESA-N 1 1 397.475 3.373 10 5 GGBEMO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000125111350 564503473 /nfs/dbraw/zinc/50/34/73/564503473.db2.gz WYGPYDAAAOZVOA-ZWNOBZJWSA-N 1 1 384.274 3.220 10 5 GGBEMO O=C(NCCc1cccs1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000063301166 564716025 /nfs/dbraw/zinc/71/60/25/564716025.db2.gz FBIFNZHSYPASPZ-UHFFFAOYSA-N 1 1 379.507 3.289 10 5 GGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183877984 565100194 /nfs/dbraw/zinc/10/01/94/565100194.db2.gz LQZRTNKEXJAEPV-HNNXBMFYSA-N 1 1 381.226 3.189 10 5 GGBEMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000295192254 565250564 /nfs/dbraw/zinc/25/05/64/565250564.db2.gz JPKWPNPHYLJXRB-ZJUUUORDSA-N 1 1 396.296 3.005 10 5 GGBEMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375540531 565394056 /nfs/dbraw/zinc/39/40/56/565394056.db2.gz NSHYGYYSTMKDER-YPMHNXCESA-N 1 1 383.246 3.106 10 5 GGBEMO COc1cc(C[NH2+]Cc2ccc(Br)cc2OC)c([N+](=O)[O-])cc1O ZINC000189186638 565450195 /nfs/dbraw/zinc/45/01/95/565450195.db2.gz MZJXLDQRHMVWED-UHFFFAOYSA-N 1 1 397.225 3.370 10 5 GGBEMO C[C@@H]1C[N@H+](C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301178210 565470809 /nfs/dbraw/zinc/47/08/09/565470809.db2.gz MDDVXKJJOOJOEH-GFCCVEGCSA-N 1 1 384.274 3.047 10 5 GGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000278022466 565534652 /nfs/dbraw/zinc/53/46/52/565534652.db2.gz QCZDRORORZDXAN-NXEZZACHSA-N 1 1 390.303 3.221 10 5 GGBEMO C[N@H+]1CC[C@@H]2CCN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000408145838 565597407 /nfs/dbraw/zinc/59/74/07/565597407.db2.gz LBCALODKAYKEDE-BDJLRTHQSA-N 1 1 391.269 3.436 10 5 GGBEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383963 565606113 /nfs/dbraw/zinc/60/61/13/565606113.db2.gz FAGSIBVSWCGLGK-DGCLKSJQSA-N 1 1 382.258 3.056 10 5 GGBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408383965 565606217 /nfs/dbraw/zinc/60/62/17/565606217.db2.gz FAGSIBVSWCGLGK-WCQYABFASA-N 1 1 382.258 3.056 10 5 GGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192362183 565682018 /nfs/dbraw/zinc/68/20/18/565682018.db2.gz OVJKOBWZFSAGEV-LBPRGKRZSA-N 1 1 393.241 3.167 10 5 GGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192362189 565682301 /nfs/dbraw/zinc/68/23/01/565682301.db2.gz OVJKOBWZFSAGEV-GFCCVEGCSA-N 1 1 393.241 3.167 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000284401693 565852908 /nfs/dbraw/zinc/85/29/08/565852908.db2.gz QQOVCCPNEDFGAP-JQWIXIFHSA-N 1 1 384.274 3.220 10 5 GGBEMO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Br)cc1 ZINC000286670384 565973724 /nfs/dbraw/zinc/97/37/24/565973724.db2.gz VAYPWBAQVMJMTR-INIZCTEOSA-N 1 1 383.217 3.494 10 5 GGBEMO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245529945 565994178 /nfs/dbraw/zinc/99/41/78/565994178.db2.gz WYGPYDAAAOZVOA-GWCFXTLKSA-N 1 1 384.274 3.220 10 5 GGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000246173100 566019991 /nfs/dbraw/zinc/01/99/91/566019991.db2.gz LPNZXFULJUIRBG-LRDDRELGSA-N 1 1 398.301 3.089 10 5 GGBEMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766863 566167936 /nfs/dbraw/zinc/16/79/36/566167936.db2.gz MQIFRXWUIKMAGJ-CHWSQXEVSA-N 1 1 397.273 3.414 10 5 GGBEMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000366766868 566168479 /nfs/dbraw/zinc/16/84/79/566168479.db2.gz MQIFRXWUIKMAGJ-STQMWFEESA-N 1 1 397.273 3.414 10 5 GGBEMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599651977 566284176 /nfs/dbraw/zinc/28/41/76/566284176.db2.gz JYLVZUWWTBKSMW-OCCSQVGLSA-N 1 1 379.258 3.432 10 5 GGBEMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445879376 566317104 /nfs/dbraw/zinc/31/71/04/566317104.db2.gz FXHQKDLKISSDMF-CQSZACIVSA-N 1 1 381.230 3.009 10 5 GGBEMO Cc1c(Br)cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000509638143 566322561 /nfs/dbraw/zinc/32/25/61/566322561.db2.gz IRZCDJWLEFHPNK-LLVKDONJSA-N 1 1 384.274 3.270 10 5 GGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600230126 566326187 /nfs/dbraw/zinc/32/61/87/566326187.db2.gz ZWTVXZATDYDYDZ-AWEZNQCLSA-N 1 1 396.285 3.494 10 5 GGBEMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600473195 566340234 /nfs/dbraw/zinc/34/02/34/566340234.db2.gz ULPHWWLNBORKHC-HNNXBMFYSA-N 1 1 396.285 3.033 10 5 GGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600473197 566340673 /nfs/dbraw/zinc/34/06/73/566340673.db2.gz UMNLVVZOPXEACE-CYBMUJFWSA-N 1 1 382.258 3.104 10 5 GGBEMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600472290 566340729 /nfs/dbraw/zinc/34/07/29/566340729.db2.gz NVWSGMVWEQUKML-CQSZACIVSA-N 1 1 383.901 3.473 10 5 GGBEMO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000462709883 566346430 /nfs/dbraw/zinc/34/64/30/566346430.db2.gz DOKRRKDZZPNXEC-CYBMUJFWSA-N 1 1 389.905 3.052 10 5 GGBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467020177 566616408 /nfs/dbraw/zinc/61/64/08/566616408.db2.gz AKORFGJEPWJXBU-UHFFFAOYSA-N 1 1 393.241 3.375 10 5 GGBEMO COc1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000541052776 566691039 /nfs/dbraw/zinc/69/10/39/566691039.db2.gz JKMWMVPPPGEZNE-AWEZNQCLSA-N 1 1 381.226 3.189 10 5 GGBEMO COc1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000541052777 566691555 /nfs/dbraw/zinc/69/15/55/566691555.db2.gz JKMWMVPPPGEZNE-CQSZACIVSA-N 1 1 381.226 3.189 10 5 GGBEMO O=C(C[NH2+][C@@H](CO)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000561607340 566722695 /nfs/dbraw/zinc/72/26/95/566722695.db2.gz LEOHQPPGMGLBJX-HNNXBMFYSA-N 1 1 384.219 3.163 10 5 GGBEMO C[NH+](C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1Br ZINC000469498180 566794260 /nfs/dbraw/zinc/79/42/60/566794260.db2.gz TZPOXTMWEWKQLC-UHFFFAOYSA-N 1 1 393.241 3.253 10 5 GGBEMO COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000429018801 566900924 /nfs/dbraw/zinc/90/09/24/566900924.db2.gz HZJNOXUMTNXMDZ-AWEZNQCLSA-N 1 1 399.216 3.328 10 5 GGBEMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000521636748 567070728 /nfs/dbraw/zinc/07/07/28/567070728.db2.gz NOKSZBIEOUBZNK-UHFFFAOYSA-N 1 1 389.905 3.099 10 5 GGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431931854 567118855 /nfs/dbraw/zinc/11/88/55/567118855.db2.gz TWIQIIKWXILBNA-TXEJJXNPSA-N 1 1 384.274 3.350 10 5 GGBEMO Cc1c(NC(=O)NCC2=CC[N@@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435321964 567355317 /nfs/dbraw/zinc/35/53/17/567355317.db2.gz ZRCXWTSIHRAQOF-UHFFFAOYSA-N 1 1 383.246 3.049 10 5 GGBEMO Cc1c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325866 567356301 /nfs/dbraw/zinc/35/63/01/567356301.db2.gz BEJSAWXIGLXJKY-GHMZBOCLSA-N 1 1 385.262 3.222 10 5 GGBEMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc(Br)cc1[N+](=O)[O-] ZINC000435325162 567356471 /nfs/dbraw/zinc/35/64/71/567356471.db2.gz YUGXMUJICMSWRB-JSGCOSHPSA-N 1 1 397.273 3.414 10 5 GGBEMO Cc1c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000435325867 567356495 /nfs/dbraw/zinc/35/64/95/567356495.db2.gz BEJSAWXIGLXJKY-MNOVXSKESA-N 1 1 385.262 3.222 10 5 GGBEMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000435326395 567356737 /nfs/dbraw/zinc/35/67/37/567356737.db2.gz DHILHEQTUWLQLD-LLVKDONJSA-N 1 1 385.262 3.129 10 5 GGBEMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000501086790 567364216 /nfs/dbraw/zinc/36/42/16/567364216.db2.gz XFRURNZBCVRHOQ-LLVKDONJSA-N 1 1 385.262 3.163 10 5 GGBEMO CC(C)[N@H+]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501107279 567365835 /nfs/dbraw/zinc/36/58/35/567365835.db2.gz MZRPJLYWOWTOPK-UHFFFAOYSA-N 1 1 385.262 3.305 10 5 GGBEMO C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000501121925 567367205 /nfs/dbraw/zinc/36/72/05/567367205.db2.gz ZKEPURQTPIWYRI-JTQLQIEISA-N 1 1 383.246 3.129 10 5 GGBEMO CO[C@H](C)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000569771022 567431171 /nfs/dbraw/zinc/43/11/71/567431171.db2.gz VXTNWXOJDUWAIN-LLVKDONJSA-N 1 1 392.237 3.445 10 5 GGBEMO CO[C@@H](C)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000569771023 567431752 /nfs/dbraw/zinc/43/17/52/567431752.db2.gz VXTNWXOJDUWAIN-NSHDSACASA-N 1 1 392.237 3.445 10 5 GGBEMO CSCCC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439483291 567589307 /nfs/dbraw/zinc/58/93/07/567589307.db2.gz HSTWQUVGEKYCKL-UHFFFAOYSA-N 1 1 380.495 3.342 10 5 GGBEMO CSCCC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439483291 567589311 /nfs/dbraw/zinc/58/93/11/567589311.db2.gz HSTWQUVGEKYCKL-UHFFFAOYSA-N 1 1 380.495 3.342 10 5 GGBEMO CCN(CC)[C@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572051459 567610435 /nfs/dbraw/zinc/61/04/35/567610435.db2.gz ISSIDZZYSLJJCH-LLVKDONJSA-N 1 1 391.253 3.019 10 5 GGBEMO CCC[N@H+]1CC[C@H](NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000596888746 567662220 /nfs/dbraw/zinc/66/22/20/567662220.db2.gz QZFSLSWZEFUSHO-LBPRGKRZSA-N 1 1 385.262 3.272 10 5 GGBEMO CCN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000596889880 567662544 /nfs/dbraw/zinc/66/25/44/567662544.db2.gz ZXRBLFFVEHABMW-LBPRGKRZSA-N 1 1 385.262 3.224 10 5 GGBEMO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000597859191 567719440 /nfs/dbraw/zinc/71/94/40/567719440.db2.gz ATVOECXLLBQCRJ-MRVPVSSYSA-N 1 1 376.276 3.021 10 5 GGBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000597859191 567719446 /nfs/dbraw/zinc/71/94/46/567719446.db2.gz ATVOECXLLBQCRJ-MRVPVSSYSA-N 1 1 376.276 3.021 10 5 GGBEMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597861917 567720610 /nfs/dbraw/zinc/72/06/10/567720610.db2.gz YCRQREYVWBVJCN-LLVKDONJSA-N 1 1 384.274 3.268 10 5 GGBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000048342407 570239472 /nfs/dbraw/zinc/23/94/72/570239472.db2.gz DSMRWLWYMUIXNM-UHFFFAOYSA-N 1 1 391.493 3.222 10 5 GGBEMO C[N@H+](Cc1ccccc1N1CCCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025301850 570746848 /nfs/dbraw/zinc/74/68/48/570746848.db2.gz XHNGEMPKEBVBHU-HXUWFJFHSA-N 1 1 399.491 3.457 10 5 GGBEMO NC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000583623193 570801358 /nfs/dbraw/zinc/80/13/58/570801358.db2.gz WZBQWJJYRFUYCA-AWEZNQCLSA-N 1 1 395.419 3.056 10 5 GGBEMO COc1ccc(NC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000055102961 1406885769 /nfs/dbraw/zinc/88/57/69/1406885769.db2.gz FERMBFUGZVFABH-UHFFFAOYSA-N 1 1 385.420 3.127 10 5 GGBEMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000124090218 1414883644 /nfs/dbraw/zinc/88/36/44/1414883644.db2.gz GZZFNULMAKPJDO-HZPDHXFCSA-N 1 1 383.448 3.481 10 5 GGBEMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245732781 1433507411 /nfs/dbraw/zinc/50/74/11/1433507411.db2.gz FIUAPVCNGFOMBO-DNVCBOLYSA-N 1 1 380.452 3.275 10 5 GGBEMO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000271063921 1434799877 /nfs/dbraw/zinc/79/98/77/1434799877.db2.gz COVBLNAKKSJFTH-CQSZACIVSA-N 1 1 378.450 3.118 10 5 GGBEMO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000271063919 1434799880 /nfs/dbraw/zinc/79/98/80/1434799880.db2.gz COVBLNAKKSJFTH-AWEZNQCLSA-N 1 1 378.450 3.118 10 5 GGBEMO