smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177506254 705625363 /nfs/dbraw/zinc/62/53/63/705625363.db2.gz FLXZNPWBUZFBCH-CHWSQXEVSA-N 1 1 352.822 3.339 10 5 FGBEMO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCCC[C@H]3C2)ccc1Br ZINC000252703555 713673723 /nfs/dbraw/zinc/67/37/23/713673723.db2.gz KJJJJELWVOTMOF-ZDUSSCGKSA-N 1 1 354.248 3.027 10 5 FGBEMO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000088267576 494223616 /nfs/dbraw/zinc/22/36/16/494223616.db2.gz LJRYRIFDMDXXDU-UHFFFAOYSA-N 1 1 369.421 3.094 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)co2)cc1 ZINC000089891962 494394896 /nfs/dbraw/zinc/39/48/96/494394896.db2.gz KXEKPVFYRIGNLS-UHFFFAOYSA-N 1 1 353.382 3.353 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121276820 494679992 /nfs/dbraw/zinc/67/99/92/494679992.db2.gz UDZDNAZIXXBNKH-KBXCAEBGSA-N 1 1 364.348 3.060 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121276820 494679998 /nfs/dbraw/zinc/67/99/98/494679998.db2.gz UDZDNAZIXXBNKH-KBXCAEBGSA-N 1 1 364.348 3.060 10 5 FGBEMO COC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000123189955 495094196 /nfs/dbraw/zinc/09/41/96/495094196.db2.gz UOSRUQNUIPBJQM-CYBMUJFWSA-N 1 1 361.423 3.103 10 5 FGBEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000123189955 495094200 /nfs/dbraw/zinc/09/42/00/495094200.db2.gz UOSRUQNUIPBJQM-CYBMUJFWSA-N 1 1 361.423 3.103 10 5 FGBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331549 495143588 /nfs/dbraw/zinc/14/35/88/495143588.db2.gz YBXNWQZOPZIQOS-SFHVURJKSA-N 1 1 367.409 3.419 10 5 FGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130756911 495440390 /nfs/dbraw/zinc/44/03/90/495440390.db2.gz IPUGVPILAPTFIH-LJQANCHMSA-N 1 1 371.485 3.205 10 5 FGBEMO CC(C)CN1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130756911 495440393 /nfs/dbraw/zinc/44/03/93/495440393.db2.gz IPUGVPILAPTFIH-LJQANCHMSA-N 1 1 371.485 3.205 10 5 FGBEMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160389927 495951950 /nfs/dbraw/zinc/95/19/50/495951950.db2.gz FCALYHIDQUMIRM-CYBMUJFWSA-N 1 1 351.472 3.167 10 5 FGBEMO Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000171648756 495969297 /nfs/dbraw/zinc/96/92/97/495969297.db2.gz KVTZWZZIOHHRBK-INIZCTEOSA-N 1 1 356.426 3.111 10 5 FGBEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000171648756 495969302 /nfs/dbraw/zinc/96/93/02/495969302.db2.gz KVTZWZZIOHHRBK-INIZCTEOSA-N 1 1 356.426 3.111 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185257982 496719163 /nfs/dbraw/zinc/71/91/63/496719163.db2.gz TVLVAJQGLMLHBD-DZGCQCFKSA-N 1 1 374.416 3.460 10 5 FGBEMO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000195500530 496940836 /nfs/dbraw/zinc/94/08/36/496940836.db2.gz MXZQMXCSSLJCGN-CQSZACIVSA-N 1 1 371.441 3.018 10 5 FGBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489480 /nfs/dbraw/zinc/48/94/80/497489480.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489486 /nfs/dbraw/zinc/48/94/86/497489486.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489489 /nfs/dbraw/zinc/48/94/89/497489489.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 1 1 360.483 3.314 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1N1CCOCC1 ZINC000245724687 497517079 /nfs/dbraw/zinc/51/70/79/497517079.db2.gz IOVULFYDTAXKFU-DNVCBOLYSA-N 1 1 371.437 3.007 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872582 /nfs/dbraw/zinc/87/25/82/500872582.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872584 /nfs/dbraw/zinc/87/25/84/500872584.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872585 /nfs/dbraw/zinc/87/25/85/500872585.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 1 1 366.465 3.457 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000190447117 257368393 /nfs/dbraw/zinc/36/83/93/257368393.db2.gz MMVISQUSLICZLK-AWEZNQCLSA-N 1 1 362.380 3.226 10 5 FGBEMO CC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000090689788 494494412 /nfs/dbraw/zinc/49/44/12/494494412.db2.gz BIJBKTOJVJNBQM-KRWDZBQOSA-N 1 1 359.430 3.283 10 5 FGBEMO Cn1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091978648 494740868 /nfs/dbraw/zinc/74/08/68/494740868.db2.gz IWQWYPNRARRQHT-ZWKOTPCHSA-N 1 1 356.426 3.139 10 5 FGBEMO Cn1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091978648 494740876 /nfs/dbraw/zinc/74/08/76/494740876.db2.gz IWQWYPNRARRQHT-ZWKOTPCHSA-N 1 1 356.426 3.139 10 5 FGBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000131979404 494790385 /nfs/dbraw/zinc/79/03/85/494790385.db2.gz NNDSMIOFPMRBQU-HZMBPMFUSA-N 1 1 359.348 3.072 10 5 FGBEMO Cn1cc([C@@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000128364155 495086018 /nfs/dbraw/zinc/08/60/18/495086018.db2.gz MSBMVPIKTCXTDS-CQSZACIVSA-N 1 1 369.450 3.441 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136957978 495412530 /nfs/dbraw/zinc/41/25/30/495412530.db2.gz MNPIHDPYPOYXPO-GFCCVEGCSA-N 1 1 362.817 3.484 10 5 FGBEMO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000176320485 495598787 /nfs/dbraw/zinc/59/87/87/495598787.db2.gz MBXXMICNTUGGNK-QGZVFWFLSA-N 1 1 359.430 3.330 10 5 FGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699159 495652952 /nfs/dbraw/zinc/65/29/52/495652952.db2.gz UBTVNPIMDIPVMK-OAHLLOKOSA-N 1 1 374.441 3.078 10 5 FGBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490165 /nfs/dbraw/zinc/49/01/65/497490165.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490171 /nfs/dbraw/zinc/49/01/71/497490171.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490177 /nfs/dbraw/zinc/49/01/77/497490177.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 1 1 360.483 3.314 10 5 FGBEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000246891751 497818978 /nfs/dbraw/zinc/81/89/78/497818978.db2.gz FDPUERUDHMYVGZ-MAUKXSAKSA-N 1 1 362.474 3.419 10 5 FGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059086 498389510 /nfs/dbraw/zinc/38/95/10/498389510.db2.gz RIGZKHAQQUXISX-MAUKXSAKSA-N 1 1 355.438 3.410 10 5 FGBEMO NC(=O)c1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000379670950 499542598 /nfs/dbraw/zinc/54/25/98/499542598.db2.gz KDVGEWMSWZDUIC-QGZVFWFLSA-N 1 1 368.437 3.160 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000310993501 713801642 /nfs/dbraw/zinc/80/16/42/713801642.db2.gz IFFLFDLICSLATI-ZDUSSCGKSA-N 1 1 361.829 3.499 10 5 FGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171640834 495960597 /nfs/dbraw/zinc/96/05/97/495960597.db2.gz GNDLNCHUWLPVBH-INIZCTEOSA-N 1 1 356.426 3.193 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177191637 495968969 /nfs/dbraw/zinc/96/89/69/495968969.db2.gz SHIXCUAOBLQBLU-CZUORRHYSA-N 1 1 374.466 3.272 10 5 FGBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181248520 496327202 /nfs/dbraw/zinc/32/72/02/496327202.db2.gz DEALPLVFBHHNTO-CYBMUJFWSA-N 1 1 351.472 3.309 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498295 /nfs/dbraw/zinc/49/82/95/497498295.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498299 /nfs/dbraw/zinc/49/82/99/497498299.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498303 /nfs/dbraw/zinc/49/83/03/497498303.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 1 1 366.465 3.457 10 5 FGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245954042 497583381 /nfs/dbraw/zinc/58/33/81/497583381.db2.gz CJMSPLQQXWUYTD-WMZOPIPTSA-N 1 1 356.426 3.308 10 5 FGBEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246515608 497760016 /nfs/dbraw/zinc/76/00/16/497760016.db2.gz TXSFATMBODWCPT-ZWNOBZJWSA-N 1 1 372.372 3.046 10 5 FGBEMO C[C@@H]1C[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302016581 498369286 /nfs/dbraw/zinc/36/92/86/498369286.db2.gz CLSYWFJZIWQWLR-CRAIPNDOSA-N 1 1 355.438 3.410 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)no1 ZINC000116275364 494750808 /nfs/dbraw/zinc/75/08/08/494750808.db2.gz PGFQYQAAISWYRK-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)no1 ZINC000116275364 494750810 /nfs/dbraw/zinc/75/08/10/494750810.db2.gz PGFQYQAAISWYRK-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116290307 494754076 /nfs/dbraw/zinc/75/40/76/494754076.db2.gz HYUYHPLKRCPWLD-HNNXBMFYSA-N 1 1 359.382 3.362 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)o2)cc1 ZINC000128622276 495125318 /nfs/dbraw/zinc/12/53/18/495125318.db2.gz IOTXKRDICBYUPK-OAHLLOKOSA-N 1 1 367.409 3.359 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185462223 495585961 /nfs/dbraw/zinc/58/59/61/495585961.db2.gz PDTCVGGCHGHDRB-DOMZBBRYSA-N 1 1 360.389 3.034 10 5 FGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182749257 495688123 /nfs/dbraw/zinc/68/81/23/495688123.db2.gz FADARTIZQMPRDF-DOTOQJQBSA-N 1 1 355.442 3.355 10 5 FGBEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177706674 496166144 /nfs/dbraw/zinc/16/61/44/496166144.db2.gz CDBVQGXAECCDFV-BBRMVZONSA-N 1 1 359.430 3.122 10 5 FGBEMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000181786247 496544497 /nfs/dbraw/zinc/54/44/97/496544497.db2.gz SGZUFAVWAABKPN-GFCCVEGCSA-N 1 1 372.347 3.316 10 5 FGBEMO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301692713 498227279 /nfs/dbraw/zinc/22/72/79/498227279.db2.gz XIBBJRUKUGHGPH-FPMFFAJLSA-N 1 1 366.259 3.278 10 5 FGBEMO C[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000302021818 498372167 /nfs/dbraw/zinc/37/21/67/498372167.db2.gz FUBVYCWWQTZUFL-MRXNPFEDSA-N 1 1 355.438 3.188 10 5 FGBEMO CCc1nn(C)c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000302192777 498437060 /nfs/dbraw/zinc/43/70/60/498437060.db2.gz WGANRVPJNYLNPT-XYJFISCASA-N 1 1 369.469 3.213 10 5 FGBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123022086 700699127 /nfs/dbraw/zinc/69/91/27/700699127.db2.gz XNDBFRHJFMRQJJ-DGCLKSJQSA-N 1 1 354.248 3.026 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000132627505 494901679 /nfs/dbraw/zinc/90/16/79/494901679.db2.gz CUCZBGFCPCPGLB-CQSZACIVSA-N 1 1 373.413 3.231 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC000172177622 496196388 /nfs/dbraw/zinc/19/63/88/496196388.db2.gz NEFJPUWNLPDUII-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC000172177622 496196392 /nfs/dbraw/zinc/19/63/92/496196392.db2.gz NEFJPUWNLPDUII-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(CN2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000157237477 496435408 /nfs/dbraw/zinc/43/54/08/496435408.db2.gz FTCSMKSZXDWTFN-UHFFFAOYSA-N 1 1 360.483 3.376 10 5 FGBEMO Cc1nc(CN2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cs1 ZINC000157237477 496435416 /nfs/dbraw/zinc/43/54/16/496435416.db2.gz FTCSMKSZXDWTFN-UHFFFAOYSA-N 1 1 360.483 3.376 10 5 FGBEMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000153792109 496582378 /nfs/dbraw/zinc/58/23/78/496582378.db2.gz NYVIMPGLFMPFBH-CQSZACIVSA-N 1 1 361.833 3.139 10 5 FGBEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000192267725 497055962 /nfs/dbraw/zinc/05/59/62/497055962.db2.gz QNHZXVHCJZZRLW-OAHLLOKOSA-N 1 1 363.458 3.227 10 5 FGBEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000192267725 497055964 /nfs/dbraw/zinc/05/59/64/497055964.db2.gz QNHZXVHCJZZRLW-OAHLLOKOSA-N 1 1 363.458 3.227 10 5 FGBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245954038 497583554 /nfs/dbraw/zinc/58/35/54/497583554.db2.gz CJMSPLQQXWUYTD-AEFFLSMTSA-N 1 1 356.426 3.308 10 5 FGBEMO Cc1ccc(N(C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000301827301 498282754 /nfs/dbraw/zinc/28/27/54/498282754.db2.gz PPBAORYHMKCQEF-UHFFFAOYSA-N 1 1 355.442 3.415 10 5 FGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000302837926 498597409 /nfs/dbraw/zinc/59/74/09/498597409.db2.gz YBQJQTBWGPDIBC-UHFFFAOYSA-N 1 1 363.849 3.002 10 5 FGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000302837926 498597412 /nfs/dbraw/zinc/59/74/12/498597412.db2.gz YBQJQTBWGPDIBC-UHFFFAOYSA-N 1 1 363.849 3.002 10 5 FGBEMO CCOCC[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1CC ZINC000112080448 495142632 /nfs/dbraw/zinc/14/26/32/495142632.db2.gz FQEKKYKJXOHATK-OAHLLOKOSA-N 1 1 358.442 3.080 10 5 FGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217575 495435937 /nfs/dbraw/zinc/43/59/37/495435937.db2.gz IBMQFOAYOJHYDW-QGZVFWFLSA-N 1 1 371.441 3.019 10 5 FGBEMO Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000171648505 495969163 /nfs/dbraw/zinc/96/91/63/495969163.db2.gz UQIFYAOUWSRKEL-MRXNPFEDSA-N 1 1 356.426 3.111 10 5 FGBEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000171648505 495969169 /nfs/dbraw/zinc/96/91/69/495969169.db2.gz UQIFYAOUWSRKEL-MRXNPFEDSA-N 1 1 356.426 3.111 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184207948 496286173 /nfs/dbraw/zinc/28/61/73/496286173.db2.gz NSKLDVRSYPUZFM-AWEZNQCLSA-N 1 1 362.405 3.339 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000182145944 496688290 /nfs/dbraw/zinc/68/82/90/496688290.db2.gz UKVNPVLVMYYHRF-AWEZNQCLSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000182145944 496688298 /nfs/dbraw/zinc/68/82/98/496688298.db2.gz UKVNPVLVMYYHRF-AWEZNQCLSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1c(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879509 /nfs/dbraw/zinc/87/95/09/496879509.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879510 /nfs/dbraw/zinc/87/95/10/496879510.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1c(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879512 /nfs/dbraw/zinc/87/95/12/496879512.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 1 1 354.454 3.252 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193916431 497519673 /nfs/dbraw/zinc/51/96/73/497519673.db2.gz PDUWRVKUKLQJOU-HNNXBMFYSA-N 1 1 359.386 3.099 10 5 FGBEMO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245855735 497550947 /nfs/dbraw/zinc/55/09/47/497550947.db2.gz NNAFTDDWGYILNM-JKSUJKDBSA-N 1 1 370.453 3.476 10 5 FGBEMO C[NH+]1CCN(c2cccc(C(=O)Nc3ccc(Cl)cc3)c2[N+](=O)[O-])CC1 ZINC000003827364 132377625 /nfs/dbraw/zinc/37/76/25/132377625.db2.gz KQIIAPDWDVYNOP-UHFFFAOYSA-N 1 1 374.828 3.252 10 5 FGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000183044190 495811448 /nfs/dbraw/zinc/81/14/48/495811448.db2.gz MNNRJTNRYVLAQT-SZEUEKNRSA-N 1 1 354.410 3.194 10 5 FGBEMO CCn1cc(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cn1 ZINC000177033851 495893314 /nfs/dbraw/zinc/89/33/14/495893314.db2.gz DRSBNQPINTZGJK-UHFFFAOYSA-N 1 1 355.398 3.332 10 5 FGBEMO CC[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792113 495949051 /nfs/dbraw/zinc/94/90/51/495949051.db2.gz LAGRPFCNAWRBHM-LEWJYISDSA-N 1 1 369.465 3.055 10 5 FGBEMO CC[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792113 495949057 /nfs/dbraw/zinc/94/90/57/495949057.db2.gz LAGRPFCNAWRBHM-LEWJYISDSA-N 1 1 369.465 3.055 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000195296310 496879666 /nfs/dbraw/zinc/87/96/66/496879666.db2.gz OJLLNXQUUSORSA-MRXNPFEDSA-N 1 1 358.417 3.083 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246818057 497813397 /nfs/dbraw/zinc/81/33/97/497813397.db2.gz UDZDNAZIXXBNKH-KSSFIOAISA-N 1 1 364.348 3.060 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246818057 497813399 /nfs/dbraw/zinc/81/33/99/497813399.db2.gz UDZDNAZIXXBNKH-KSSFIOAISA-N 1 1 364.348 3.060 10 5 FGBEMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000301276267 498033632 /nfs/dbraw/zinc/03/36/32/498033632.db2.gz ZAEQVGQNPGOFKO-NSHDSACASA-N 1 1 374.319 3.196 10 5 FGBEMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000301276267 498033638 /nfs/dbraw/zinc/03/36/38/498033638.db2.gz ZAEQVGQNPGOFKO-NSHDSACASA-N 1 1 374.319 3.196 10 5 FGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000116278475 494750992 /nfs/dbraw/zinc/75/09/92/494750992.db2.gz ABFPFZARIDIVQT-CQSZACIVSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000116278475 494750997 /nfs/dbraw/zinc/75/09/97/494750997.db2.gz ABFPFZARIDIVQT-CQSZACIVSA-N 1 1 363.849 3.369 10 5 FGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290304 494753250 /nfs/dbraw/zinc/75/32/50/494753250.db2.gz HYUYHPLKRCPWLD-OAHLLOKOSA-N 1 1 359.382 3.362 10 5 FGBEMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000106225587 495438904 /nfs/dbraw/zinc/43/89/04/495438904.db2.gz PBRCXLHLJVZPIN-QGZVFWFLSA-N 1 1 371.441 3.074 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000179708225 495699558 /nfs/dbraw/zinc/69/95/58/495699558.db2.gz PMROAQSHPBHBPE-ZDUSSCGKSA-N 1 1 361.829 3.499 10 5 FGBEMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000153868848 496607662 /nfs/dbraw/zinc/60/76/62/496607662.db2.gz HRHXZDNKPQYUGB-CQSZACIVSA-N 1 1 359.451 3.424 10 5 FGBEMO Cc1cc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000191801246 496894219 /nfs/dbraw/zinc/89/42/19/496894219.db2.gz QSMRDTOKHNNETI-UHFFFAOYSA-N 1 1 363.458 3.146 10 5 FGBEMO Cc1cc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000191801246 496894225 /nfs/dbraw/zinc/89/42/25/496894225.db2.gz QSMRDTOKHNNETI-UHFFFAOYSA-N 1 1 363.458 3.146 10 5 FGBEMO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000195500214 496940877 /nfs/dbraw/zinc/94/08/77/496940877.db2.gz SQICNLLLENQZFB-AWEZNQCLSA-N 1 1 371.441 3.018 10 5 FGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000248393324 496993179 /nfs/dbraw/zinc/99/31/79/496993179.db2.gz LOCNYMMDKLAWEG-AOIWGVFYSA-N 1 1 359.470 3.249 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000182082982 705824992 /nfs/dbraw/zinc/82/49/92/705824992.db2.gz VKZRFOVEPREHMW-ZDUSSCGKSA-N 1 1 361.829 3.499 10 5 FGBEMO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090560708 494482011 /nfs/dbraw/zinc/48/20/11/494482011.db2.gz UCSBGIAOVPNJME-YJBOKZPZSA-N 1 1 362.474 3.466 10 5 FGBEMO CCC[C@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1cccc([N+](=O)[O-])c1 ZINC000125280769 495419408 /nfs/dbraw/zinc/41/94/08/495419408.db2.gz STXHHPJLQOZPJK-HOTGVXAUSA-N 1 1 359.430 3.299 10 5 FGBEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221939 495436535 /nfs/dbraw/zinc/43/65/35/495436535.db2.gz CDUKNWRHWBARSW-JKSUJKDBSA-N 1 1 371.441 3.072 10 5 FGBEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221939 495436537 /nfs/dbraw/zinc/43/65/37/495436537.db2.gz CDUKNWRHWBARSW-JKSUJKDBSA-N 1 1 371.441 3.072 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(Cn4cccn4)CC3)co2)cc1 ZINC000153573922 496503133 /nfs/dbraw/zinc/50/31/33/496503133.db2.gz VLSKPODLRIZBRS-UHFFFAOYSA-N 1 1 367.409 3.359 10 5 FGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505782 496944836 /nfs/dbraw/zinc/94/48/36/496944836.db2.gz LZLUMTONYFFGNE-LBPRGKRZSA-N 1 1 368.397 3.309 10 5 FGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000248393328 496992625 /nfs/dbraw/zinc/99/26/25/496992625.db2.gz LOCNYMMDKLAWEG-ZHALLVOQSA-N 1 1 359.470 3.249 10 5 FGBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083704221 494031060 /nfs/dbraw/zinc/03/10/60/494031060.db2.gz KMXLGPWYBBTNGV-WCQYABFASA-N 1 1 354.248 3.420 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000121168738 494627935 /nfs/dbraw/zinc/62/79/35/494627935.db2.gz KCKIZVKMIRYCOY-MRXNPFEDSA-N 1 1 356.426 3.068 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)o2)cc1 ZINC000128622025 495125507 /nfs/dbraw/zinc/12/55/07/495125507.db2.gz IOTXKRDICBYUPK-HNNXBMFYSA-N 1 1 367.409 3.359 10 5 FGBEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000106225585 495438684 /nfs/dbraw/zinc/43/86/84/495438684.db2.gz PBRCXLHLJVZPIN-KRWDZBQOSA-N 1 1 371.441 3.074 10 5 FGBEMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)nc2c1 ZINC000177034609 495892570 /nfs/dbraw/zinc/89/25/70/495892570.db2.gz MOUDHSOBAHLZSL-CYBMUJFWSA-N 1 1 353.382 3.065 10 5 FGBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)nc2c1 ZINC000177034609 495892577 /nfs/dbraw/zinc/89/25/77/495892577.db2.gz MOUDHSOBAHLZSL-CYBMUJFWSA-N 1 1 353.382 3.065 10 5 FGBEMO Cc1cccc(NC[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000171649436 495968593 /nfs/dbraw/zinc/96/85/93/495968593.db2.gz WDMQVMONJJEMQK-MRXNPFEDSA-N 1 1 356.426 3.111 10 5 FGBEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000171649436 495968600 /nfs/dbraw/zinc/96/86/00/495968600.db2.gz WDMQVMONJJEMQK-MRXNPFEDSA-N 1 1 356.426 3.111 10 5 FGBEMO CN(c1cccnn1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153794203 496581796 /nfs/dbraw/zinc/58/17/96/496581796.db2.gz YAYDZNPJFBPTDP-UHFFFAOYSA-N 1 1 361.833 3.139 10 5 FGBEMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000153792215 496582139 /nfs/dbraw/zinc/58/21/39/496582139.db2.gz NYVIMPGLFMPFBH-AWEZNQCLSA-N 1 1 361.833 3.139 10 5 FGBEMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000181909390 496596655 /nfs/dbraw/zinc/59/66/55/496596655.db2.gz OFFPNOJWKFATIF-JKSUJKDBSA-N 1 1 360.410 3.463 10 5 FGBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979812 498354897 /nfs/dbraw/zinc/35/48/97/498354897.db2.gz AMIWWGHZNDRTCW-UAGQMJEPSA-N 1 1 352.438 3.372 10 5 FGBEMO COc1ccc(C[N@H+]2CCCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302870102 498608077 /nfs/dbraw/zinc/60/80/77/498608077.db2.gz XZJBRJHKWFVALD-UHFFFAOYSA-N 1 1 359.401 3.455 10 5 FGBEMO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000195500201 496940660 /nfs/dbraw/zinc/94/06/60/496940660.db2.gz AJBBCQATZRAMDF-AWEZNQCLSA-N 1 1 371.441 3.018 10 5 FGBEMO COc1ccc([C@H]2[C@@H](CNc3ncccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000301246630 498019278 /nfs/dbraw/zinc/01/92/78/498019278.db2.gz AWTWMMKQCIGLLR-QAPCUYQASA-N 1 1 356.426 3.493 10 5 FGBEMO Cc1cc(NCCC[NH+]2CCN(c3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC000301430868 498106409 /nfs/dbraw/zinc/10/64/09/498106409.db2.gz JREBKBOAXUWJBM-UHFFFAOYSA-N 1 1 373.432 3.062 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000182096614 705825479 /nfs/dbraw/zinc/82/54/79/705825479.db2.gz QFIAPWKIBLMBPJ-ZDUSSCGKSA-N 1 1 361.829 3.499 10 5 FGBEMO Cn1cc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000131813826 494740938 /nfs/dbraw/zinc/74/09/38/494740938.db2.gz OFCXNOPZNOQHGW-GOSISDBHSA-N 1 1 366.425 3.066 10 5 FGBEMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160878 495420369 /nfs/dbraw/zinc/42/03/69/495420369.db2.gz PCBXEVKQABSIFY-QGZVFWFLSA-N 1 1 361.467 3.162 10 5 FGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000160011879 495863655 /nfs/dbraw/zinc/86/36/55/495863655.db2.gz TYXFPYDTBWXFKQ-AWEZNQCLSA-N 1 1 351.472 3.263 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177058631 495906243 /nfs/dbraw/zinc/90/62/43/495906243.db2.gz ISRZOLQDTJRQBE-CQSZACIVSA-N 1 1 355.398 3.332 10 5 FGBEMO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000184298839 496325682 /nfs/dbraw/zinc/32/56/82/496325682.db2.gz QCRJAFNKWROFSJ-NSHDSACASA-N 1 1 362.357 3.365 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000195296303 496880023 /nfs/dbraw/zinc/88/00/23/496880023.db2.gz OJLLNXQUUSORSA-INIZCTEOSA-N 1 1 358.417 3.083 10 5 FGBEMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000246891737 497819064 /nfs/dbraw/zinc/81/90/64/497819064.db2.gz FDPUERUDHMYVGZ-CRAIPNDOSA-N 1 1 362.474 3.419 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872695 /nfs/dbraw/zinc/87/26/95/500872695.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872697 /nfs/dbraw/zinc/87/26/97/500872697.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872699 /nfs/dbraw/zinc/87/26/99/500872699.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 1 1 366.465 3.457 10 5 FGBEMO NC(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000065201977 494179349 /nfs/dbraw/zinc/17/93/49/494179349.db2.gz KDVGEWMSWZDUIC-KRWDZBQOSA-N 1 1 368.437 3.160 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000121168886 494627652 /nfs/dbraw/zinc/62/76/52/494627652.db2.gz KCKIZVKMIRYCOY-INIZCTEOSA-N 1 1 356.426 3.068 10 5 FGBEMO CC(C)[N@@H+]1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000183091490 495830228 /nfs/dbraw/zinc/83/02/28/495830228.db2.gz WONCKJHGPIPVGQ-AAEUAGOBSA-N 1 1 371.890 3.185 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177058402 495905306 /nfs/dbraw/zinc/90/53/06/495905306.db2.gz UMGYTURPKZHUGH-HNNXBMFYSA-N 1 1 355.398 3.423 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177058402 495905314 /nfs/dbraw/zinc/90/53/14/495905314.db2.gz UMGYTURPKZHUGH-HNNXBMFYSA-N 1 1 355.398 3.423 10 5 FGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000160504164 495977721 /nfs/dbraw/zinc/97/77/21/495977721.db2.gz LPJWLBIIUQLZLI-QGZVFWFLSA-N 1 1 374.485 3.045 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175148821 496267388 /nfs/dbraw/zinc/26/73/88/496267388.db2.gz MAOBKQDRGHSRGJ-CYBMUJFWSA-N 1 1 363.805 3.450 10 5 FGBEMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000153316421 496418706 /nfs/dbraw/zinc/41/87/06/496418706.db2.gz MRTFYOORVCRMSX-FQEVSTJZSA-N 1 1 356.422 3.137 10 5 FGBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000192707399 497190725 /nfs/dbraw/zinc/19/07/25/497190725.db2.gz GOMNEBAXHTZFCF-QGZVFWFLSA-N 1 1 364.829 3.258 10 5 FGBEMO COC(=O)c1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301750942 498251248 /nfs/dbraw/zinc/25/12/48/498251248.db2.gz AXSPTTRXOVAHBW-AWEZNQCLSA-N 1 1 361.442 3.143 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121276647 494679891 /nfs/dbraw/zinc/67/98/91/494679891.db2.gz UDZDNAZIXXBNKH-RDTXWAMCSA-N 1 1 364.348 3.060 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121276647 494679894 /nfs/dbraw/zinc/67/98/94/494679894.db2.gz UDZDNAZIXXBNKH-RDTXWAMCSA-N 1 1 364.348 3.060 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175902540 496595374 /nfs/dbraw/zinc/59/53/74/496595374.db2.gz RKAGIGPQLPAQTN-DYVFJYSZSA-N 1 1 357.414 3.035 10 5 FGBEMO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000195500528 496940219 /nfs/dbraw/zinc/94/02/19/496940219.db2.gz MXZQMXCSSLJCGN-AWEZNQCLSA-N 1 1 371.441 3.018 10 5 FGBEMO O=C(c1ccccc1)c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248739841 497093907 /nfs/dbraw/zinc/09/39/07/497093907.db2.gz ALBFALRKRUBBTK-KRWDZBQOSA-N 1 1 351.406 3.110 10 5 FGBEMO Cn1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245767341 497534330 /nfs/dbraw/zinc/53/43/30/497534330.db2.gz RBJHHWXXLADBAO-PXNSSMCTSA-N 1 1 370.453 3.122 10 5 FGBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1CC ZINC000116871250 494864319 /nfs/dbraw/zinc/86/43/19/494864319.db2.gz STFONTWHCBMJNW-HNNXBMFYSA-N 1 1 358.442 3.080 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000122907973 495050717 /nfs/dbraw/zinc/05/07/17/495050717.db2.gz RZTYYLOQNBAIAM-AWEZNQCLSA-N 1 1 373.413 3.231 10 5 FGBEMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000124679926 495326577 /nfs/dbraw/zinc/32/65/77/495326577.db2.gz FGLYPGYMFXTWPU-WMZOPIPTSA-N 1 1 360.410 3.463 10 5 FGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000175199277 496287918 /nfs/dbraw/zinc/28/79/18/496287918.db2.gz TVSNXOCWVNIYTP-MRXNPFEDSA-N 1 1 373.457 3.114 10 5 FGBEMO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1F ZINC000184298861 496325291 /nfs/dbraw/zinc/32/52/91/496325291.db2.gz QCRJAFNKWROFSJ-LLVKDONJSA-N 1 1 362.357 3.365 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000153828448 496593401 /nfs/dbraw/zinc/59/34/01/496593401.db2.gz SKIJJMYIUNHNDS-HNNXBMFYSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000153828448 496593404 /nfs/dbraw/zinc/59/34/04/496593404.db2.gz SKIJJMYIUNHNDS-HNNXBMFYSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258394 496865277 /nfs/dbraw/zinc/86/52/77/496865277.db2.gz GXZCSPSTHQEGQK-KRWDZBQOSA-N 1 1 374.510 3.356 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000245791441 497538871 /nfs/dbraw/zinc/53/88/71/497538871.db2.gz WDSRGXLTHMBSDV-GUYCJALGSA-N 1 1 358.467 3.387 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)co2)cc1 ZINC000245848450 497550247 /nfs/dbraw/zinc/55/02/47/497550247.db2.gz IXIGUVHILRMBIP-HNAYVOBHSA-N 1 1 357.410 3.377 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)co2)cc1 ZINC000089910023 494399020 /nfs/dbraw/zinc/39/90/20/494399020.db2.gz IXIGUVHILRMBIP-DNVCBOLYSA-N 1 1 357.410 3.377 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)no1 ZINC000116275367 494750243 /nfs/dbraw/zinc/75/02/43/494750243.db2.gz PGFQYQAAISWYRK-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)no1 ZINC000116275367 494750256 /nfs/dbraw/zinc/75/02/56/494750256.db2.gz PGFQYQAAISWYRK-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO CCn1cc(C[N@H+]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000121613839 494820972 /nfs/dbraw/zinc/82/09/72/494820972.db2.gz ZDUVGUANFISVEF-VMPITWQZSA-N 1 1 369.469 3.032 10 5 FGBEMO CCn1cc(CN2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000121613839 494820975 /nfs/dbraw/zinc/82/09/75/494820975.db2.gz ZDUVGUANFISVEF-VMPITWQZSA-N 1 1 369.469 3.032 10 5 FGBEMO CCn1cc(CN2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000121613839 494820978 /nfs/dbraw/zinc/82/09/78/494820978.db2.gz ZDUVGUANFISVEF-VMPITWQZSA-N 1 1 369.469 3.032 10 5 FGBEMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000135234237 495266138 /nfs/dbraw/zinc/26/61/38/495266138.db2.gz QVUXQSCQDYOIDY-LJQANCHMSA-N 1 1 356.422 3.137 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000174199003 495860577 /nfs/dbraw/zinc/86/05/77/495860577.db2.gz WTKLFPIBOPOMOH-MRXNPFEDSA-N 1 1 356.426 3.393 10 5 FGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177013558 495883858 /nfs/dbraw/zinc/88/38/58/495883858.db2.gz BGRRRFIIPXQYMW-OAHLLOKOSA-N 1 1 374.466 3.275 10 5 FGBEMO CSc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000177215809 495981032 /nfs/dbraw/zinc/98/10/32/495981032.db2.gz KIJNNIWEXZXZNJ-AWEZNQCLSA-N 1 1 360.439 3.126 10 5 FGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000160783119 496040934 /nfs/dbraw/zinc/04/09/34/496040934.db2.gz JDUFGGVGSHSMRP-WFASDCNBSA-N 1 1 351.472 3.165 10 5 FGBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180842742 496167392 /nfs/dbraw/zinc/16/73/92/496167392.db2.gz CJMSPLQQXWUYTD-FUHWJXTLSA-N 1 1 356.426 3.308 10 5 FGBEMO COc1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000184219610 496291022 /nfs/dbraw/zinc/29/10/22/496291022.db2.gz JMTDJPLASGGCMV-ZDUSSCGKSA-N 1 1 360.389 3.072 10 5 FGBEMO COc1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000184219610 496291024 /nfs/dbraw/zinc/29/10/24/496291024.db2.gz JMTDJPLASGGCMV-ZDUSSCGKSA-N 1 1 360.389 3.072 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000191347088 496733600 /nfs/dbraw/zinc/73/36/00/496733600.db2.gz NNPQBZLMNJLPOR-OAHLLOKOSA-N 1 1 372.425 3.148 10 5 FGBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000248375351 496987225 /nfs/dbraw/zinc/98/72/25/496987225.db2.gz WONCKJHGPIPVGQ-WCQYABFASA-N 1 1 371.890 3.185 10 5 FGBEMO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000189099449 497008001 /nfs/dbraw/zinc/00/80/01/497008001.db2.gz PBNVISREZGYQDZ-NSHDSACASA-N 1 1 363.801 3.219 10 5 FGBEMO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000189099449 497008006 /nfs/dbraw/zinc/00/80/06/497008006.db2.gz PBNVISREZGYQDZ-NSHDSACASA-N 1 1 363.801 3.219 10 5 FGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000246371783 497711027 /nfs/dbraw/zinc/71/10/27/497711027.db2.gz YOQZZVSJJHGSDZ-YSIASYRMSA-N 1 1 356.422 3.216 10 5 FGBEMO NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000301116514 497957883 /nfs/dbraw/zinc/95/78/83/497957883.db2.gz UROUUEWBTMWSKI-KRWDZBQOSA-N 1 1 368.437 3.160 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)co2)cc1 ZINC000089910227 494398535 /nfs/dbraw/zinc/39/85/35/494398535.db2.gz FWPSJCGPFCHWRT-GOSISDBHSA-N 1 1 366.377 3.298 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)co2)cc1 ZINC000089910227 494398538 /nfs/dbraw/zinc/39/85/38/494398538.db2.gz FWPSJCGPFCHWRT-GOSISDBHSA-N 1 1 366.377 3.298 10 5 FGBEMO Cc1cc(N2CCC[N@H+](C3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080645855 494754793 /nfs/dbraw/zinc/75/47/93/494754793.db2.gz DHAHCFRYUJKXSO-UHFFFAOYSA-N 1 1 353.850 3.248 10 5 FGBEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331667 495143353 /nfs/dbraw/zinc/14/33/53/495143353.db2.gz YBXNWQZOPZIQOS-GOSISDBHSA-N 1 1 367.409 3.419 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106211666 495433503 /nfs/dbraw/zinc/43/35/03/495433503.db2.gz CSMFFCLSVLRZRD-YOEHRIQHSA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106211666 495433506 /nfs/dbraw/zinc/43/35/06/495433506.db2.gz CSMFFCLSVLRZRD-YOEHRIQHSA-N 1 1 371.441 3.109 10 5 FGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)o1 ZINC000179466713 495602679 /nfs/dbraw/zinc/60/26/79/495602679.db2.gz XGAROQYDGOEDKX-AWEZNQCLSA-N 1 1 353.382 3.283 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176789155 495784967 /nfs/dbraw/zinc/78/49/67/495784967.db2.gz BBZBCNASYXNWAY-CYBMUJFWSA-N 1 1 363.805 3.450 10 5 FGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000184841083 496552519 /nfs/dbraw/zinc/55/25/19/496552519.db2.gz FUGGWZDZFIRMMI-MJGOQNOKSA-N 1 1 370.453 3.360 10 5 FGBEMO Cc1ccc(N2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)nn1 ZINC000153791154 496580474 /nfs/dbraw/zinc/58/04/74/496580474.db2.gz XQJUNUYTSFGZCJ-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO Cc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)nn1 ZINC000153791154 496580479 /nfs/dbraw/zinc/58/04/79/496580479.db2.gz XQJUNUYTSFGZCJ-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000248460185 497018989 /nfs/dbraw/zinc/01/89/89/497018989.db2.gz OFFPNOJWKFATIF-HZPDHXFCSA-N 1 1 360.410 3.463 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000249270089 497184427 /nfs/dbraw/zinc/18/44/27/497184427.db2.gz APFCCRDKRXNUHB-JQWIXIFHSA-N 1 1 372.347 3.314 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255841484 497376290 /nfs/dbraw/zinc/37/62/90/497376290.db2.gz DTANYTCLKBFFFP-SKHCZCESSA-N 1 1 355.442 3.229 10 5 FGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](n4cncn4)C3)o2)c1 ZINC000179467749 495602302 /nfs/dbraw/zinc/60/23/02/495602302.db2.gz WMQKWGOVRRJHHT-MRXNPFEDSA-N 1 1 353.382 3.283 10 5 FGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177013521 495883899 /nfs/dbraw/zinc/88/38/99/495883899.db2.gz ZTRDNDHCLVMKGG-OAHLLOKOSA-N 1 1 374.466 3.275 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1N1CCOCC1 ZINC000180227948 495915330 /nfs/dbraw/zinc/91/53/30/495915330.db2.gz IOVULFYDTAXKFU-BEFAXECRSA-N 1 1 371.437 3.007 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1N1CCOCC1 ZINC000180229522 495916042 /nfs/dbraw/zinc/91/60/42/495916042.db2.gz FQMVPXFQHKUHRA-BEFAXECRSA-N 1 1 371.437 3.007 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)no1 ZINC000178011651 496285601 /nfs/dbraw/zinc/28/56/01/496285601.db2.gz MPACNHLHVQECKM-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)no1 ZINC000178011651 496285609 /nfs/dbraw/zinc/28/56/09/496285609.db2.gz MPACNHLHVQECKM-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301261455 498026539 /nfs/dbraw/zinc/02/65/39/498026539.db2.gz FJYNFDIRVVAHQJ-HNNXBMFYSA-N 1 1 355.442 3.138 10 5 FGBEMO CCCn1cc(CN2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000121664781 494833241 /nfs/dbraw/zinc/83/32/41/494833241.db2.gz HGICKEVKSHGAQT-UHFFFAOYSA-N 1 1 371.485 3.218 10 5 FGBEMO CCCn1cc(C[N@@H+]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000121664781 494833244 /nfs/dbraw/zinc/83/32/44/494833244.db2.gz HGICKEVKSHGAQT-UHFFFAOYSA-N 1 1 371.485 3.218 10 5 FGBEMO CCCn1cc(C[N@H+]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000121664781 494833247 /nfs/dbraw/zinc/83/32/47/494833247.db2.gz HGICKEVKSHGAQT-UHFFFAOYSA-N 1 1 371.485 3.218 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093437275 494891460 /nfs/dbraw/zinc/89/14/60/494891460.db2.gz WDSRGXLTHMBSDV-SUMWQHHRSA-N 1 1 358.467 3.387 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106211853 495433449 /nfs/dbraw/zinc/43/34/49/495433449.db2.gz HPHBCODOYPXTSF-KRWDZBQOSA-N 1 1 371.441 3.111 10 5 FGBEMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221943 495436365 /nfs/dbraw/zinc/43/63/65/495436365.db2.gz CDUKNWRHWBARSW-HOTGVXAUSA-N 1 1 371.441 3.072 10 5 FGBEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221943 495436369 /nfs/dbraw/zinc/43/63/69/495436369.db2.gz CDUKNWRHWBARSW-HOTGVXAUSA-N 1 1 371.441 3.072 10 5 FGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000176311345 495593758 /nfs/dbraw/zinc/59/37/58/495593758.db2.gz MECJSWYCOQCZRF-LBPRGKRZSA-N 1 1 372.372 3.144 10 5 FGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000176311329 495593963 /nfs/dbraw/zinc/59/39/63/495593963.db2.gz MECJSWYCOQCZRF-GFCCVEGCSA-N 1 1 372.372 3.144 10 5 FGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)o1 ZINC000179466725 495602845 /nfs/dbraw/zinc/60/28/45/495602845.db2.gz XGAROQYDGOEDKX-CQSZACIVSA-N 1 1 353.382 3.283 10 5 FGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000176975921 495865545 /nfs/dbraw/zinc/86/55/45/495865545.db2.gz KJGQQQMUGNREBJ-HIFRSBDPSA-N 1 1 351.472 3.018 10 5 FGBEMO CCc1nc(C2([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000174238382 495877829 /nfs/dbraw/zinc/87/78/29/495877829.db2.gz FMECLUMDLBQAAC-UHFFFAOYSA-N 1 1 360.414 3.368 10 5 FGBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247480624 496868707 /nfs/dbraw/zinc/86/87/07/496868707.db2.gz SPUISWUEWIDYBK-DOMZBBRYSA-N 1 1 372.450 3.027 10 5 FGBEMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1CC ZINC000110560697 494988449 /nfs/dbraw/zinc/98/84/49/494988449.db2.gz BIBOVDOQFZEQTM-OAHLLOKOSA-N 1 1 358.442 3.080 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106216872 495434829 /nfs/dbraw/zinc/43/48/29/495434829.db2.gz WILDWVQPXAMHNH-GJZGRUSLSA-N 1 1 371.441 3.018 10 5 FGBEMO CC[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000176695237 495751397 /nfs/dbraw/zinc/75/13/97/495751397.db2.gz CNRRAPINTNYPHE-ZWKOTPCHSA-N 1 1 371.441 3.425 10 5 FGBEMO CCOC(=O)c1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154933739 495776960 /nfs/dbraw/zinc/77/69/60/495776960.db2.gz MFPXTFWHKWAGHX-CQSZACIVSA-N 1 1 361.442 3.225 10 5 FGBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000183091472 495830598 /nfs/dbraw/zinc/83/05/98/495830598.db2.gz WONCKJHGPIPVGQ-YPMHNXCESA-N 1 1 371.890 3.185 10 5 FGBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000155375700 495938283 /nfs/dbraw/zinc/93/82/83/495938283.db2.gz GRLZMXFWUPARQB-DOMZBBRYSA-N 1 1 374.466 3.177 10 5 FGBEMO CSc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000177215823 495980606 /nfs/dbraw/zinc/98/06/06/495980606.db2.gz KIJNNIWEXZXZNJ-CQSZACIVSA-N 1 1 360.439 3.126 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000152346959 496123350 /nfs/dbraw/zinc/12/33/50/496123350.db2.gz LLRXAEACQNZYOP-YOEHRIQHSA-N 1 1 371.441 3.461 10 5 FGBEMO Cc1ccc(N2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nn1 ZINC000172179025 496197208 /nfs/dbraw/zinc/19/72/08/496197208.db2.gz DSJDRJONFHQVPE-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO Cc1ccc(N2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nn1 ZINC000172179025 496197214 /nfs/dbraw/zinc/19/72/14/496197214.db2.gz DSJDRJONFHQVPE-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175902523 496594932 /nfs/dbraw/zinc/59/49/32/496594932.db2.gz RKAGIGPQLPAQTN-SUMWQHHRSA-N 1 1 357.414 3.035 10 5 FGBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195511747 496947316 /nfs/dbraw/zinc/94/73/16/496947316.db2.gz OEJPFVZIJHLUPG-KRWDZBQOSA-N 1 1 355.442 3.292 10 5 FGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000195511747 496947321 /nfs/dbraw/zinc/94/73/21/496947321.db2.gz OEJPFVZIJHLUPG-KRWDZBQOSA-N 1 1 355.442 3.292 10 5 FGBEMO COc1ccc([C@@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@H+]2C)cc1 ZINC000301298624 498045610 /nfs/dbraw/zinc/04/56/10/498045610.db2.gz QDMMLHFOGQDMFY-HNAYVOBHSA-N 1 1 356.426 3.493 10 5 FGBEMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cc1C(F)(F)F ZINC000301739173 498245774 /nfs/dbraw/zinc/24/57/74/498245774.db2.gz WVHPSYKKXRFDID-UONOGXRCSA-N 1 1 373.375 3.039 10 5 FGBEMO CCc1nn(C)c(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000302192775 498436836 /nfs/dbraw/zinc/43/68/36/498436836.db2.gz WGANRVPJNYLNPT-LZLYRXPVSA-N 1 1 369.469 3.213 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000190447137 257368128 /nfs/dbraw/zinc/36/81/28/257368128.db2.gz MMVISQUSLICZLK-CQSZACIVSA-N 1 1 362.380 3.226 10 5 FGBEMO C[C@@H]1C[N@H+](CC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000091478904 494606408 /nfs/dbraw/zinc/60/64/08/494606408.db2.gz QIMILONIXKSLET-OKILXGFUSA-N 1 1 351.422 3.060 10 5 FGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000160011732 495863531 /nfs/dbraw/zinc/86/35/31/495863531.db2.gz TYXFPYDTBWXFKQ-CQSZACIVSA-N 1 1 351.472 3.263 10 5 FGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000172179386 496197620 /nfs/dbraw/zinc/19/76/20/496197620.db2.gz MHLVYCABRZYLGP-CQSZACIVSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000172179386 496197626 /nfs/dbraw/zinc/19/76/26/496197626.db2.gz MHLVYCABRZYLGP-CQSZACIVSA-N 1 1 363.849 3.369 10 5 FGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000175199255 496288055 /nfs/dbraw/zinc/28/80/55/496288055.db2.gz TVSNXOCWVNIYTP-INIZCTEOSA-N 1 1 373.457 3.114 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)no1 ZINC000182126792 496680236 /nfs/dbraw/zinc/68/02/36/496680236.db2.gz FRLHPXXLOKCILF-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)no1 ZINC000182126792 496680242 /nfs/dbraw/zinc/68/02/42/496680242.db2.gz FRLHPXXLOKCILF-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1N1CCOCC1 ZINC000245773650 497534845 /nfs/dbraw/zinc/53/48/45/497534845.db2.gz SIHMCSGYKNNGHN-DNVCBOLYSA-N 1 1 371.437 3.007 10 5 FGBEMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246894877 497819260 /nfs/dbraw/zinc/81/92/60/497819260.db2.gz XKJOSYYBBKILBD-KDOFPFPSSA-N 1 1 364.348 3.060 10 5 FGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246894877 497819261 /nfs/dbraw/zinc/81/92/61/497819261.db2.gz XKJOSYYBBKILBD-KDOFPFPSSA-N 1 1 364.348 3.060 10 5 FGBEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083704219 494031434 /nfs/dbraw/zinc/03/14/34/494031434.db2.gz KMXLGPWYBBTNGV-DGCLKSJQSA-N 1 1 354.248 3.420 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000121926324 494892065 /nfs/dbraw/zinc/89/20/65/494892065.db2.gz DTANYTCLKBFFFP-NADMHLTPSA-N 1 1 355.442 3.229 10 5 FGBEMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)C1 ZINC000120706239 495439680 /nfs/dbraw/zinc/43/96/80/495439680.db2.gz TXSFATMBODWCPT-GWCFXTLKSA-N 1 1 372.372 3.046 10 5 FGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000176975907 495866240 /nfs/dbraw/zinc/86/62/40/495866240.db2.gz KJGQQQMUGNREBJ-UKRRQHHQSA-N 1 1 351.472 3.018 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1N1CCOCC1 ZINC000180231256 495917009 /nfs/dbraw/zinc/91/70/09/495917009.db2.gz SIHMCSGYKNNGHN-BEFAXECRSA-N 1 1 371.437 3.007 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)no1 ZINC000182126769 496679964 /nfs/dbraw/zinc/67/99/64/496679964.db2.gz FRLHPXXLOKCILF-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)no1 ZINC000182126769 496679967 /nfs/dbraw/zinc/67/99/67/496679967.db2.gz FRLHPXXLOKCILF-LBPRGKRZSA-N 1 1 350.806 3.394 10 5 FGBEMO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176140089 496700636 /nfs/dbraw/zinc/70/06/36/496700636.db2.gz UCSBGIAOVPNJME-MAUKXSAKSA-N 1 1 362.474 3.466 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247582462 496893392 /nfs/dbraw/zinc/89/33/92/496893392.db2.gz IPPBTCDYZCDURK-PBHICJAKSA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247582462 496893399 /nfs/dbraw/zinc/89/33/99/496893399.db2.gz IPPBTCDYZCDURK-PBHICJAKSA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493884 /nfs/dbraw/zinc/49/38/84/497493884.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493888 /nfs/dbraw/zinc/49/38/88/497493888.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493896 /nfs/dbraw/zinc/49/38/96/497493896.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 1 1 354.454 3.252 10 5 FGBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498186 /nfs/dbraw/zinc/49/81/86/497498186.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498188 /nfs/dbraw/zinc/49/81/88/497498188.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 1 1 366.465 3.457 10 5 FGBEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498194 /nfs/dbraw/zinc/49/81/94/497498194.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 1 1 366.465 3.457 10 5 FGBEMO Cn1cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245767340 497533175 /nfs/dbraw/zinc/53/31/75/497533175.db2.gz RBJHHWXXLADBAO-FXAWDEMLSA-N 1 1 370.453 3.122 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191335983 497784161 /nfs/dbraw/zinc/78/41/61/497784161.db2.gz YVFYTJMAQZKOGH-HNNXBMFYSA-N 1 1 357.414 3.413 10 5 FGBEMO COC(=O)c1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301750943 498251751 /nfs/dbraw/zinc/25/17/51/498251751.db2.gz AXSPTTRXOVAHBW-CQSZACIVSA-N 1 1 361.442 3.143 10 5 FGBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979814 498354909 /nfs/dbraw/zinc/35/49/09/498354909.db2.gz AMIWWGHZNDRTCW-XIRDDKMYSA-N 1 1 352.438 3.372 10 5 FGBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000312974603 498762735 /nfs/dbraw/zinc/76/27/35/498762735.db2.gz KRZMCMUKPCKAMN-FGTMMUONSA-N 1 1 369.469 3.442 10 5 FGBEMO Cc1nc(C[NH+]2CCC(CNc3cc(CO)ccc3[N+](=O)[O-])CC2)oc1C ZINC000302075939 257383356 /nfs/dbraw/zinc/38/33/56/257383356.db2.gz XYWIBNHWBZSIRT-UHFFFAOYSA-N 1 1 374.441 3.016 10 5 FGBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000131979203 494790535 /nfs/dbraw/zinc/79/05/35/494790535.db2.gz NNDSMIOFPMRBQU-YGRLFVJLSA-N 1 1 359.348 3.072 10 5 FGBEMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000124680124 495326452 /nfs/dbraw/zinc/32/64/52/495326452.db2.gz FGLYPGYMFXTWPU-FUHWJXTLSA-N 1 1 360.410 3.463 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177191660 495968637 /nfs/dbraw/zinc/96/86/37/495968637.db2.gz SHIXCUAOBLQBLU-XJKSGUPXSA-N 1 1 374.466 3.272 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184207928 496286226 /nfs/dbraw/zinc/28/62/26/496286226.db2.gz NSKLDVRSYPUZFM-CQSZACIVSA-N 1 1 362.405 3.339 10 5 FGBEMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000153835489 496595725 /nfs/dbraw/zinc/59/57/25/496595725.db2.gz XYYMFXGYTOUHEO-HNNXBMFYSA-N 1 1 359.451 3.424 10 5 FGBEMO CN(c1cccnn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182135146 496683802 /nfs/dbraw/zinc/68/38/02/496683802.db2.gz LNNPTHKQPFWSPH-UHFFFAOYSA-N 1 1 361.833 3.139 10 5 FGBEMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000261405979 497409614 /nfs/dbraw/zinc/40/96/14/497409614.db2.gz OZZMGFFUMYLYRT-AWEZNQCLSA-N 1 1 360.458 3.163 10 5 FGBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491731 /nfs/dbraw/zinc/49/17/31/497491731.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491738 /nfs/dbraw/zinc/49/17/38/497491738.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491742 /nfs/dbraw/zinc/49/17/42/497491742.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 1 1 360.483 3.314 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1N1CCOCC1 ZINC000245708803 497510630 /nfs/dbraw/zinc/51/06/30/497510630.db2.gz FQMVPXFQHKUHRA-DNVCBOLYSA-N 1 1 371.437 3.007 10 5 FGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245764816 497532725 /nfs/dbraw/zinc/53/27/25/497532725.db2.gz JDUFGGVGSHSMRP-IUODEOHRSA-N 1 1 351.472 3.165 10 5 FGBEMO COc1ccc([C@H]2[C@@H](CNc3c([N+](=O)[O-])c(C)nn3C)CCC[N@H+]2C)cc1 ZINC000301308556 498050266 /nfs/dbraw/zinc/05/02/66/498050266.db2.gz WQZSQOYAGZSQBM-QAPCUYQASA-N 1 1 373.457 3.140 10 5 FGBEMO C[N+](C)([O-])CCCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21 ZINC000585668461 717184903 /nfs/dbraw/zinc/18/49/03/717184903.db2.gz KLRCAIAWGPKZPB-UHFFFAOYSA-N 1 1 355.418 3.376 10 5 FGBEMO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090560711 494482034 /nfs/dbraw/zinc/48/20/34/494482034.db2.gz UCSBGIAOVPNJME-QAPCUYQASA-N 1 1 362.474 3.466 10 5 FGBEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000131813641 494740789 /nfs/dbraw/zinc/74/07/89/494740789.db2.gz OFCXNOPZNOQHGW-SFHVURJKSA-N 1 1 366.425 3.066 10 5 FGBEMO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091978647 494741270 /nfs/dbraw/zinc/74/12/70/494741270.db2.gz IWQWYPNRARRQHT-ROUUACIJSA-N 1 1 356.426 3.139 10 5 FGBEMO Cn1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091978647 494741274 /nfs/dbraw/zinc/74/12/74/494741274.db2.gz IWQWYPNRARRQHT-ROUUACIJSA-N 1 1 356.426 3.139 10 5 FGBEMO Cc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)nn1 ZINC000116277771 494751106 /nfs/dbraw/zinc/75/11/06/494751106.db2.gz RGOITMASWALNOD-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO Cc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)nn1 ZINC000116277771 494751113 /nfs/dbraw/zinc/75/11/13/494751113.db2.gz RGOITMASWALNOD-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000132627724 494901810 /nfs/dbraw/zinc/90/18/10/494901810.db2.gz CUCZBGFCPCPGLB-AWEZNQCLSA-N 1 1 373.413 3.231 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113228634 495285836 /nfs/dbraw/zinc/28/58/36/495285836.db2.gz SPUISWUEWIDYBK-SWLSCSKDSA-N 1 1 372.450 3.027 10 5 FGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201621 495354235 /nfs/dbraw/zinc/35/42/35/495354235.db2.gz WJQRVPPRFMKLSF-KRWDZBQOSA-N 1 1 357.414 3.182 10 5 FGBEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000106225596 495438736 /nfs/dbraw/zinc/43/87/36/495438736.db2.gz BAEMELKQTMTQFY-KRWDZBQOSA-N 1 1 371.441 3.074 10 5 FGBEMO CCn1cc(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cn1 ZINC000195500433 496940851 /nfs/dbraw/zinc/94/08/51/496940851.db2.gz GTOWCDRYJXOGMC-UHFFFAOYSA-N 1 1 372.425 3.057 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059087 498389774 /nfs/dbraw/zinc/38/97/74/498389774.db2.gz RIGZKHAQQUXISX-QAPCUYQASA-N 1 1 355.438 3.410 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000252707569 713673731 /nfs/dbraw/zinc/67/37/31/713673731.db2.gz XNDBFRHJFMRQJJ-AAEUAGOBSA-N 1 1 354.248 3.026 10 5 FGBEMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160677 495421061 /nfs/dbraw/zinc/42/10/61/495421061.db2.gz KSTDJCKALXSWQK-QGZVFWFLSA-N 1 1 361.467 3.162 10 5 FGBEMO Cc1nc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000183224506 495887152 /nfs/dbraw/zinc/88/71/52/495887152.db2.gz NJYZTAMXMRFBOS-UHFFFAOYSA-N 1 1 360.483 3.376 10 5 FGBEMO Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000171648499 495969094 /nfs/dbraw/zinc/96/90/94/495969094.db2.gz UQIFYAOUWSRKEL-INIZCTEOSA-N 1 1 356.426 3.111 10 5 FGBEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000171648499 495969099 /nfs/dbraw/zinc/96/90/99/495969099.db2.gz UQIFYAOUWSRKEL-INIZCTEOSA-N 1 1 356.426 3.111 10 5 FGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000175174789 496278347 /nfs/dbraw/zinc/27/83/47/496278347.db2.gz FCHZLOKRCIAAJX-AWEZNQCLSA-N 1 1 360.414 3.140 10 5 FGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000175174789 496278352 /nfs/dbraw/zinc/27/83/52/496278352.db2.gz FCHZLOKRCIAAJX-AWEZNQCLSA-N 1 1 360.414 3.140 10 5 FGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000248393330 496992949 /nfs/dbraw/zinc/99/29/49/496992949.db2.gz LOCNYMMDKLAWEG-ZIFCJYIRSA-N 1 1 359.470 3.249 10 5 FGBEMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494629 /nfs/dbraw/zinc/49/46/29/497494629.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494632 /nfs/dbraw/zinc/49/46/32/497494632.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494636 /nfs/dbraw/zinc/49/46/36/497494636.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 1 1 354.454 3.252 10 5 FGBEMO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1N1CCOCC1 ZINC000245774307 497535663 /nfs/dbraw/zinc/53/56/63/497535663.db2.gz SIHMCSGYKNNGHN-HNAYVOBHSA-N 1 1 371.437 3.007 10 5 FGBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000246515603 497759565 /nfs/dbraw/zinc/75/95/65/497759565.db2.gz TXSFATMBODWCPT-GXFFZTMASA-N 1 1 372.372 3.046 10 5 FGBEMO Cc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000301276691 498033548 /nfs/dbraw/zinc/03/35/48/498033548.db2.gz IZPCZJBYNAUBCU-UHFFFAOYSA-N 1 1 357.370 3.287 10 5 FGBEMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000301655460 498208774 /nfs/dbraw/zinc/20/87/74/498208774.db2.gz HQOAVVFTFCFLHB-IINYFYTJSA-N 1 1 355.822 3.175 10 5 FGBEMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)cc1C(F)(F)F ZINC000301739171 498245669 /nfs/dbraw/zinc/24/56/69/498245669.db2.gz WVHPSYKKXRFDID-KBPBESRZSA-N 1 1 373.375 3.039 10 5 FGBEMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000050627928 493925464 /nfs/dbraw/zinc/92/54/64/493925464.db2.gz ZDLMJPHPGZHANK-HNNXBMFYSA-N 1 1 372.450 3.029 10 5 FGBEMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000050627928 493925468 /nfs/dbraw/zinc/92/54/68/493925468.db2.gz ZDLMJPHPGZHANK-HNNXBMFYSA-N 1 1 372.450 3.029 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127699457 494984310 /nfs/dbraw/zinc/98/43/10/494984310.db2.gz IAFYDLNCBQERSL-HNNXBMFYSA-N 1 1 357.414 3.413 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000152346868 496123135 /nfs/dbraw/zinc/12/31/35/496123135.db2.gz LLRXAEACQNZYOP-WMLDXEAASA-N 1 1 371.441 3.461 10 5 FGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152432951 496149791 /nfs/dbraw/zinc/14/97/91/496149791.db2.gz ZXBRICJDTHHNKS-GOSISDBHSA-N 1 1 374.485 3.389 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175902507 496595278 /nfs/dbraw/zinc/59/52/78/496595278.db2.gz RKAGIGPQLPAQTN-GUYCJALGSA-N 1 1 357.414 3.035 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247480629 496868904 /nfs/dbraw/zinc/86/89/04/496868904.db2.gz SPUISWUEWIDYBK-WFASDCNBSA-N 1 1 372.450 3.027 10 5 FGBEMO Cc1c(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879623 /nfs/dbraw/zinc/87/96/23/496879623.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879625 /nfs/dbraw/zinc/87/96/25/496879625.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 1 1 354.454 3.252 10 5 FGBEMO Cc1c(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879627 /nfs/dbraw/zinc/87/96/27/496879627.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 1 1 354.454 3.252 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193916406 497519427 /nfs/dbraw/zinc/51/94/27/497519427.db2.gz PDUWRVKUKLQJOU-OAHLLOKOSA-N 1 1 359.386 3.099 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)co2)cc1 ZINC000245848459 497550403 /nfs/dbraw/zinc/55/04/03/497550403.db2.gz IXIGUVHILRMBIP-KXBFYZLASA-N 1 1 357.410 3.377 10 5 FGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000302697418 498535495 /nfs/dbraw/zinc/53/54/95/498535495.db2.gz TXRMGITZVBHZEB-ZDUSSCGKSA-N 1 1 353.850 3.246 10 5 FGBEMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000050627924 493924968 /nfs/dbraw/zinc/92/49/68/493924968.db2.gz DWTOWQLSCDIMHD-HNNXBMFYSA-N 1 1 372.450 3.029 10 5 FGBEMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000050627924 493924973 /nfs/dbraw/zinc/92/49/73/493924973.db2.gz DWTOWQLSCDIMHD-HNNXBMFYSA-N 1 1 372.450 3.029 10 5 FGBEMO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000072867491 494272105 /nfs/dbraw/zinc/27/21/05/494272105.db2.gz BGSISSMVQAIVMX-VQIMIIECSA-N 1 1 369.421 3.121 10 5 FGBEMO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000072867491 494272107 /nfs/dbraw/zinc/27/21/07/494272107.db2.gz BGSISSMVQAIVMX-VQIMIIECSA-N 1 1 369.421 3.121 10 5 FGBEMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COCc1ccccc1 ZINC000066483805 494343342 /nfs/dbraw/zinc/34/33/42/494343342.db2.gz DUDSJENHKGFDRR-FQEVSTJZSA-N 1 1 358.438 3.383 10 5 FGBEMO O=C(c1ccccc1)c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000024659589 494651439 /nfs/dbraw/zinc/65/14/39/494651439.db2.gz ALBFALRKRUBBTK-QGZVFWFLSA-N 1 1 351.406 3.110 10 5 FGBEMO CCC[C@@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1cccc([N+](=O)[O-])c1 ZINC000125280585 495419054 /nfs/dbraw/zinc/41/90/54/495419054.db2.gz STXHHPJLQOZPJK-HZPDHXFCSA-N 1 1 359.430 3.299 10 5 FGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217731 495436969 /nfs/dbraw/zinc/43/69/69/495436969.db2.gz GSCGERWIIYTGMI-OAHLLOKOSA-N 1 1 371.441 3.019 10 5 FGBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000120706134 495439674 /nfs/dbraw/zinc/43/96/74/495439674.db2.gz TXSFATMBODWCPT-MFKMUULPSA-N 1 1 372.372 3.046 10 5 FGBEMO Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000171649430 495968401 /nfs/dbraw/zinc/96/84/01/495968401.db2.gz WDMQVMONJJEMQK-INIZCTEOSA-N 1 1 356.426 3.111 10 5 FGBEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000171649430 495968406 /nfs/dbraw/zinc/96/84/06/495968406.db2.gz WDMQVMONJJEMQK-INIZCTEOSA-N 1 1 356.426 3.111 10 5 FGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180842727 496167213 /nfs/dbraw/zinc/16/72/13/496167213.db2.gz CJMSPLQQXWUYTD-SJLPKXTDSA-N 1 1 356.426 3.308 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC000172177626 496196080 /nfs/dbraw/zinc/19/60/80/496196080.db2.gz NEFJPUWNLPDUII-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)no1 ZINC000172177626 496196087 /nfs/dbraw/zinc/19/60/87/496196087.db2.gz NEFJPUWNLPDUII-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000175252298 496308652 /nfs/dbraw/zinc/30/86/52/496308652.db2.gz QBANYQYCBGGFEA-OAHLLOKOSA-N 1 1 356.426 3.323 10 5 FGBEMO C[C@H]1C[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302016582 498369641 /nfs/dbraw/zinc/36/96/41/498369641.db2.gz CLSYWFJZIWQWLR-MAUKXSAKSA-N 1 1 355.438 3.410 10 5 FGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059085 498389669 /nfs/dbraw/zinc/38/96/69/498389669.db2.gz RIGZKHAQQUXISX-CRAIPNDOSA-N 1 1 355.438 3.410 10 5 FGBEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090687369 494493345 /nfs/dbraw/zinc/49/33/45/494493345.db2.gz FDPUERUDHMYVGZ-YJBOKZPZSA-N 1 1 362.474 3.419 10 5 FGBEMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000172897770 496481536 /nfs/dbraw/zinc/48/15/36/496481536.db2.gz NOBHWPIAEVNKDR-FQEVSTJZSA-N 1 1 367.449 3.308 10 5 FGBEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195379378 496906662 /nfs/dbraw/zinc/90/66/62/496906662.db2.gz ZEPMMVWRNSONKX-CQSZACIVSA-N 1 1 374.466 3.092 10 5 FGBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245457619 497416574 /nfs/dbraw/zinc/41/65/74/497416574.db2.gz CDBVQGXAECCDFV-CZUORRHYSA-N 1 1 359.430 3.122 10 5 FGBEMO COc1ccc([C@H]2[C@H](CNc3ncccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000301246632 498019390 /nfs/dbraw/zinc/01/93/90/498019390.db2.gz AWTWMMKQCIGLLR-YJBOKZPZSA-N 1 1 356.426 3.493 10 5 FGBEMO CC(C)C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301879478 498308482 /nfs/dbraw/zinc/30/84/82/498308482.db2.gz ZLJJTMVYSKJKDK-NSHDSACASA-N 1 1 357.252 3.285 10 5 FGBEMO Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133499611 495021391 /nfs/dbraw/zinc/02/13/91/495021391.db2.gz AKIMYVCIGZELQJ-ZFWWWQNUSA-N 1 1 353.426 3.397 10 5 FGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000119579757 495195119 /nfs/dbraw/zinc/19/51/19/495195119.db2.gz WTDGOBTYMZGJJV-OAHLLOKOSA-N 1 1 353.850 3.027 10 5 FGBEMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160642 495420896 /nfs/dbraw/zinc/42/08/96/495420896.db2.gz YMXVTVDYNIOQAY-CQSZACIVSA-N 1 1 367.496 3.223 10 5 FGBEMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160642 495420900 /nfs/dbraw/zinc/42/09/00/495420900.db2.gz YMXVTVDYNIOQAY-CQSZACIVSA-N 1 1 367.496 3.223 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175902557 496595459 /nfs/dbraw/zinc/59/54/59/496595459.db2.gz RKAGIGPQLPAQTN-CXAGYDPISA-N 1 1 357.414 3.035 10 5 FGBEMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246894906 497819221 /nfs/dbraw/zinc/81/92/21/497819221.db2.gz XKJOSYYBBKILBD-KSSFIOAISA-N 1 1 364.348 3.060 10 5 FGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246894906 497819222 /nfs/dbraw/zinc/81/92/22/497819222.db2.gz XKJOSYYBBKILBD-KSSFIOAISA-N 1 1 364.348 3.060 10 5 FGBEMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000050627926 493925495 /nfs/dbraw/zinc/92/54/95/493925495.db2.gz ZDLMJPHPGZHANK-OAHLLOKOSA-N 1 1 372.450 3.029 10 5 FGBEMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000050627926 493925497 /nfs/dbraw/zinc/92/54/97/493925497.db2.gz ZDLMJPHPGZHANK-OAHLLOKOSA-N 1 1 372.450 3.029 10 5 FGBEMO CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090611437 494486971 /nfs/dbraw/zinc/48/69/71/494486971.db2.gz JKIXXTCBDMIDAP-YJBOKZPZSA-N 1 1 362.474 3.323 10 5 FGBEMO 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APFCCRDKRXNUHB-PWSUYJOCSA-N 1 1 372.347 3.314 10 5 FGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255841538 497375702 /nfs/dbraw/zinc/37/57/02/497375702.db2.gz DTANYTCLKBFFFP-UXHZXRBQSA-N 1 1 355.442 3.229 10 5 FGBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490110 /nfs/dbraw/zinc/49/01/10/497490110.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490117 /nfs/dbraw/zinc/49/01/17/497490117.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490123 /nfs/dbraw/zinc/49/01/23/497490123.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 1 1 360.483 3.314 10 5 FGBEMO CCn1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000193850599 497501839 /nfs/dbraw/zinc/50/18/39/497501839.db2.gz PCANTSMYMCDZPC-UHFFFAOYSA-N 1 1 359.386 3.099 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)co2)cc1 ZINC000089910230 494398849 /nfs/dbraw/zinc/39/88/49/494398849.db2.gz FWPSJCGPFCHWRT-SFHVURJKSA-N 1 1 366.377 3.298 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)co2)cc1 ZINC000089910230 494398854 /nfs/dbraw/zinc/39/88/54/494398854.db2.gz FWPSJCGPFCHWRT-SFHVURJKSA-N 1 1 366.377 3.298 10 5 FGBEMO CC[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000090512354 494476594 /nfs/dbraw/zinc/47/65/94/494476594.db2.gz PEOMAMUVODHHFT-HOTGVXAUSA-N 1 1 360.414 3.241 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185462240 495585775 /nfs/dbraw/zinc/58/57/75/495585775.db2.gz PDTCVGGCHGHDRB-IUODEOHRSA-N 1 1 360.389 3.034 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000171403024 495857478 /nfs/dbraw/zinc/85/74/78/495857478.db2.gz TTXOGMZXFAXDQJ-OAHLLOKOSA-N 1 1 360.414 3.010 10 5 FGBEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000155375816 495938320 /nfs/dbraw/zinc/93/83/20/495938320.db2.gz GRLZMXFWUPARQB-WFASDCNBSA-N 1 1 374.466 3.177 10 5 FGBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160349202 495942211 /nfs/dbraw/zinc/94/22/11/495942211.db2.gz APFCCRDKRXNUHB-ZYHUDNBSSA-N 1 1 372.347 3.314 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)no1 ZINC000178011663 496285670 /nfs/dbraw/zinc/28/56/70/496285670.db2.gz MPACNHLHVQECKM-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)no1 ZINC000178011663 496285677 /nfs/dbraw/zinc/28/56/77/496285677.db2.gz MPACNHLHVQECKM-GFCCVEGCSA-N 1 1 350.806 3.394 10 5 FGBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173332459 496646804 /nfs/dbraw/zinc/64/68/04/496646804.db2.gz VCIGPRYLXKYJTJ-WCQYABFASA-N 1 1 352.822 3.339 10 5 FGBEMO CCOc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000190446584 497482332 /nfs/dbraw/zinc/48/23/32/497482332.db2.gz NGMOONLGHQPOPW-QGZVFWFLSA-N 1 1 370.453 3.347 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246818040 497813467 /nfs/dbraw/zinc/81/34/67/497813467.db2.gz UDZDNAZIXXBNKH-KDOFPFPSSA-N 1 1 364.348 3.060 10 5 FGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246818040 497813469 /nfs/dbraw/zinc/81/34/69/497813469.db2.gz UDZDNAZIXXBNKH-KDOFPFPSSA-N 1 1 364.348 3.060 10 5 FGBEMO Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301237965 498015518 /nfs/dbraw/zinc/01/55/18/498015518.db2.gz MXTDIIKVMYQUNO-OAHLLOKOSA-N 1 1 364.409 3.467 10 5 FGBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301979813 498354779 /nfs/dbraw/zinc/35/47/79/498354779.db2.gz AMIWWGHZNDRTCW-USXIJHARSA-N 1 1 352.438 3.372 10 5 FGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302059088 498389219 /nfs/dbraw/zinc/38/92/19/498389219.db2.gz RIGZKHAQQUXISX-YJBOKZPZSA-N 1 1 355.438 3.410 10 5 FGBEMO O=c1[nH]ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1[N+](=O)[O-] ZINC000596194572 506303309 /nfs/dbraw/zinc/30/33/09/506303309.db2.gz OXHPVUQYQQBYQS-OWCLPIDISA-N 1 1 354.410 3.018 10 5 FGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092811029 494755522 /nfs/dbraw/zinc/75/55/22/494755522.db2.gz JWADBMKGSJBXQD-UHFFFAOYSA-N 1 1 352.341 3.299 10 5 FGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000184841062 496552581 /nfs/dbraw/zinc/55/25/81/496552581.db2.gz FUGGWZDZFIRMMI-HKUYNNGSSA-N 1 1 370.453 3.360 10 5 FGBEMO NC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000301116519 497957965 /nfs/dbraw/zinc/95/79/65/497957965.db2.gz UROUUEWBTMWSKI-QGZVFWFLSA-N 1 1 368.437 3.160 10 5 FGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000245426026 713604880 /nfs/dbraw/zinc/60/48/80/713604880.db2.gz FLXZNPWBUZFBCH-STQMWFEESA-N 1 1 352.822 3.339 10 5 FGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)co2)cc1 ZINC000089910024 494398408 /nfs/dbraw/zinc/39/84/08/494398408.db2.gz IXIGUVHILRMBIP-BEFAXECRSA-N 1 1 357.410 3.377 10 5 FGBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162684 495422170 /nfs/dbraw/zinc/42/21/70/495422170.db2.gz NAZLUFFXFAVMLY-KRWDZBQOSA-N 1 1 361.467 3.162 10 5 FGBEMO CCc1nccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217577 495436024 /nfs/dbraw/zinc/43/60/24/495436024.db2.gz IBMQFOAYOJHYDW-KRWDZBQOSA-N 1 1 371.441 3.019 10 5 FGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177013574 495883591 /nfs/dbraw/zinc/88/35/91/495883591.db2.gz BGRRRFIIPXQYMW-HNNXBMFYSA-N 1 1 374.466 3.275 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000152347140 496123608 /nfs/dbraw/zinc/12/36/08/496123608.db2.gz LLRXAEACQNZYOP-PBHICJAKSA-N 1 1 371.441 3.461 10 5 FGBEMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195318513 496886803 /nfs/dbraw/zinc/88/68/03/496886803.db2.gz SSJFNCYABIUBJR-KRWDZBQOSA-N 1 1 366.421 3.259 10 5 FGBEMO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000248543527 497034601 /nfs/dbraw/zinc/03/46/01/497034601.db2.gz CMMIXDFDKAFAGZ-LSDHHAIUSA-N 1 1 373.428 3.474 10 5 FGBEMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1N1CCOCC1 ZINC000245708810 497510841 /nfs/dbraw/zinc/51/08/41/497510841.db2.gz FQMVPXFQHKUHRA-HNAYVOBHSA-N 1 1 371.437 3.007 10 5 FGBEMO C[C@@H]1C[N@H+](CCC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000301522936 498146876 /nfs/dbraw/zinc/14/68/76/498146876.db2.gz DXIPVRITWFNVKH-GASCZTMLSA-N 1 1 365.449 3.450 10 5 FGBEMO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301692715 498227370 /nfs/dbraw/zinc/22/73/70/498227370.db2.gz XIBBJRUKUGHGPH-UBHSHLNASA-N 1 1 366.259 3.278 10 5 FGBEMO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)ccc1Br ZINC000123021709 700699099 /nfs/dbraw/zinc/69/90/99/700699099.db2.gz KJJJJELWVOTMOF-CYBMUJFWSA-N 1 1 354.248 3.027 10 5 FGBEMO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000072867494 494271657 /nfs/dbraw/zinc/27/16/57/494271657.db2.gz BGSISSMVQAIVMX-APWZRJJASA-N 1 1 369.421 3.121 10 5 FGBEMO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000072867494 494271660 /nfs/dbraw/zinc/27/16/60/494271660.db2.gz BGSISSMVQAIVMX-APWZRJJASA-N 1 1 369.421 3.121 10 5 FGBEMO CC[C@H](NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000090553756 494481116 /nfs/dbraw/zinc/48/11/16/494481116.db2.gz XWTDDPMLIKBTIP-DYVFJYSZSA-N 1 1 359.430 3.186 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160349319 495942325 /nfs/dbraw/zinc/94/23/25/495942325.db2.gz APFCCRDKRXNUHB-CMPLNLGQSA-N 1 1 372.347 3.314 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000180344020 495959563 /nfs/dbraw/zinc/95/95/63/495959563.db2.gz NEUATHZKDWZBPO-AWEZNQCLSA-N 1 1 368.437 3.412 10 5 FGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171640838 495961112 /nfs/dbraw/zinc/96/11/12/495961112.db2.gz GNDLNCHUWLPVBH-MRXNPFEDSA-N 1 1 356.426 3.193 10 5 FGBEMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000182134719 496682664 /nfs/dbraw/zinc/68/26/64/496682664.db2.gz CLNXEUFGXNQNMX-HNNXBMFYSA-N 1 1 361.833 3.139 10 5 FGBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000182134719 496682673 /nfs/dbraw/zinc/68/26/73/496682673.db2.gz CLNXEUFGXNQNMX-HNNXBMFYSA-N 1 1 361.833 3.139 10 5 FGBEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258406 496865094 /nfs/dbraw/zinc/86/50/94/496865094.db2.gz GXZCSPSTHQEGQK-QGZVFWFLSA-N 1 1 374.510 3.356 10 5 FGBEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000247532328 496881771 /nfs/dbraw/zinc/88/17/71/496881771.db2.gz CDUKNWRHWBARSW-HZPDHXFCSA-N 1 1 371.441 3.072 10 5 FGBEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000247532328 496881775 /nfs/dbraw/zinc/88/17/75/496881775.db2.gz CDUKNWRHWBARSW-HZPDHXFCSA-N 1 1 371.441 3.072 10 5 FGBEMO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195318505 496886920 /nfs/dbraw/zinc/88/69/20/496886920.db2.gz SSJFNCYABIUBJR-QGZVFWFLSA-N 1 1 366.421 3.259 10 5 FGBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195511746 496947343 /nfs/dbraw/zinc/94/73/43/496947343.db2.gz OEJPFVZIJHLUPG-QGZVFWFLSA-N 1 1 355.442 3.292 10 5 FGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000195511746 496947347 /nfs/dbraw/zinc/94/73/47/496947347.db2.gz OEJPFVZIJHLUPG-QGZVFWFLSA-N 1 1 355.442 3.292 10 5 FGBEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190467545 497491177 /nfs/dbraw/zinc/49/11/77/497491177.db2.gz DOMBCRRTCWDBSG-CYBMUJFWSA-N 1 1 366.512 3.375 10 5 FGBEMO COc1ccc([C@@H]2[C@@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@H+]2C)cc1 ZINC000301298623 498046517 /nfs/dbraw/zinc/04/65/17/498046517.db2.gz QDMMLHFOGQDMFY-DNVCBOLYSA-N 1 1 356.426 3.493 10 5 FGBEMO CN(c1cc(CO)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302055001 498387268 /nfs/dbraw/zinc/38/72/68/498387268.db2.gz QGOGNHQSEYTHJA-GOSISDBHSA-N 1 1 355.438 3.188 10 5 FGBEMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160639 495421229 /nfs/dbraw/zinc/42/12/29/495421229.db2.gz YMXVTVDYNIOQAY-AWEZNQCLSA-N 1 1 367.496 3.223 10 5 FGBEMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160639 495421231 /nfs/dbraw/zinc/42/12/31/495421231.db2.gz YMXVTVDYNIOQAY-AWEZNQCLSA-N 1 1 367.496 3.223 10 5 FGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106211668 495433180 /nfs/dbraw/zinc/43/31/80/495433180.db2.gz CSMFFCLSVLRZRD-WMLDXEAASA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106211668 495433181 /nfs/dbraw/zinc/43/31/81/495433181.db2.gz CSMFFCLSVLRZRD-WMLDXEAASA-N 1 1 371.441 3.109 10 5 FGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152414207 496144017 /nfs/dbraw/zinc/14/40/17/496144017.db2.gz OXGYWTAQNNXYCQ-SFHVURJKSA-N 1 1 357.410 3.430 10 5 FGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152414207 496144022 /nfs/dbraw/zinc/14/40/22/496144022.db2.gz OXGYWTAQNNXYCQ-SFHVURJKSA-N 1 1 357.410 3.430 10 5 FGBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)nc2c1 ZINC000188157599 496704207 /nfs/dbraw/zinc/70/42/07/496704207.db2.gz DLDVEPWBCHGJJW-JSGCOSHPSA-N 1 1 359.407 3.005 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247537928 496882712 /nfs/dbraw/zinc/88/27/12/496882712.db2.gz CSMFFCLSVLRZRD-PBHICJAKSA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247537928 496882714 /nfs/dbraw/zinc/88/27/14/496882714.db2.gz CSMFFCLSVLRZRD-PBHICJAKSA-N 1 1 371.441 3.109 10 5 FGBEMO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000189099424 497008037 /nfs/dbraw/zinc/00/80/37/497008037.db2.gz PBNVISREZGYQDZ-LLVKDONJSA-N 1 1 363.801 3.219 10 5 FGBEMO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000189099424 497008042 /nfs/dbraw/zinc/00/80/42/497008042.db2.gz PBNVISREZGYQDZ-LLVKDONJSA-N 1 1 363.801 3.219 10 5 FGBEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491557 /nfs/dbraw/zinc/49/15/57/497491557.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491561 /nfs/dbraw/zinc/49/15/61/497491561.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 1 1 360.483 3.314 10 5 FGBEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491568 /nfs/dbraw/zinc/49/15/68/497491568.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 1 1 360.483 3.314 10 5 FGBEMO COc1ccc([C@@H]2[C@H](CNc3ncccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000301246628 498019297 /nfs/dbraw/zinc/01/92/97/498019297.db2.gz AWTWMMKQCIGLLR-MAUKXSAKSA-N 1 1 356.426 3.493 10 5 FGBEMO COc1ccc([C@H]2[C@@H](CNc3ccc([N+](=O)[O-])cn3)CCC[N@H+]2C)cc1 ZINC000301298622 498046641 /nfs/dbraw/zinc/04/66/41/498046641.db2.gz QDMMLHFOGQDMFY-BEFAXECRSA-N 1 1 356.426 3.493 10 5 FGBEMO COc1ccc([C@@H]2[C@@H](CNc3c([N+](=O)[O-])c(C)nn3C)CCC[N@H+]2C)cc1 ZINC000301308554 498050389 /nfs/dbraw/zinc/05/03/89/498050389.db2.gz WQZSQOYAGZSQBM-CRAIPNDOSA-N 1 1 373.457 3.140 10 5 FGBEMO CCc1nn(C)c(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301923530 498330584 /nfs/dbraw/zinc/33/05/84/498330584.db2.gz FUWCZWWKNATIMR-INIZCTEOSA-N 1 1 357.458 3.357 10 5 FGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000302697415 498535590 /nfs/dbraw/zinc/53/55/90/498535590.db2.gz TXRMGITZVBHZEB-CYBMUJFWSA-N 1 1 353.850 3.246 10 5 FGBEMO Cn1cc([C@H]2CC[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)cn1 ZINC000116257832 700591918 /nfs/dbraw/zinc/59/19/18/700591918.db2.gz KCABQNSDWLYAKJ-NSHDSACASA-N 1 1 359.411 3.052 10 5 FGBEMO Cn1cc([C@H]2CC[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)C2)cn1 ZINC000116257832 700591920 /nfs/dbraw/zinc/59/19/20/700591920.db2.gz KCABQNSDWLYAKJ-NSHDSACASA-N 1 1 359.411 3.052 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000311059594 713801521 /nfs/dbraw/zinc/80/15/21/713801521.db2.gz WQFCEHFEFQQMPW-ZDUSSCGKSA-N 1 1 361.829 3.499 10 5 FGBEMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000116277793 494751210 /nfs/dbraw/zinc/75/12/10/494751210.db2.gz DYBKGZDVGSWMGC-HNNXBMFYSA-N 1 1 361.833 3.139 10 5 FGBEMO O=C(CC[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129076211 495192676 /nfs/dbraw/zinc/19/26/76/495192676.db2.gz PGBNAMZOYFPUDH-INIZCTEOSA-N 1 1 361.377 3.013 10 5 FGBEMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160674 495420483 /nfs/dbraw/zinc/42/04/83/495420483.db2.gz KSTDJCKALXSWQK-KRWDZBQOSA-N 1 1 361.467 3.162 10 5 FGBEMO CCc1nccn1[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699167 495652822 /nfs/dbraw/zinc/65/28/22/495652822.db2.gz UBTVNPIMDIPVMK-HNNXBMFYSA-N 1 1 374.441 3.078 10 5 FGBEMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000183591079 496040298 /nfs/dbraw/zinc/04/02/98/496040298.db2.gz GAJDFUHEOGAHPW-INIZCTEOSA-N 1 1 369.425 3.166 10 5 FGBEMO CC[C@@H](NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000176056539 496664232 /nfs/dbraw/zinc/66/42/32/496664232.db2.gz XWTDDPMLIKBTIP-CXAGYDPISA-N 1 1 359.430 3.186 10 5 FGBEMO CCc1nn(C)c(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1[N+](=O)[O-] ZINC000302192774 498437007 /nfs/dbraw/zinc/43/70/07/498437007.db2.gz WGANRVPJNYLNPT-JFIYKMOQSA-N 1 1 369.469 3.213 10 5 FGBEMO O=c1[nH]ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000596194571 506303957 /nfs/dbraw/zinc/30/39/57/506303957.db2.gz OXHPVUQYQQBYQS-HRCADAONSA-N 1 1 354.410 3.018 10 5 FGBEMO CCn1cc(C2CC[NH+](Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)cn1 ZINC000092809238 494755143 /nfs/dbraw/zinc/75/51/43/494755143.db2.gz FIVJJKOGRMJQGV-UHFFFAOYSA-N 1 1 374.441 3.208 10 5 FGBEMO CC[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000123247133 495102969 /nfs/dbraw/zinc/10/29/69/495102969.db2.gz BIJBKTOJVJNBQM-QGZVFWFLSA-N 1 1 359.430 3.283 10 5 FGBEMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)cc1 ZINC000130897900 495463289 /nfs/dbraw/zinc/46/32/89/495463289.db2.gz WSKWCQABWHBRAS-FQEVSTJZSA-N 1 1 356.422 3.137 10 5 FGBEMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000173698262 495653369 /nfs/dbraw/zinc/65/33/69/495653369.db2.gz QVKFGTMPPOFUSX-INIZCTEOSA-N 1 1 374.441 3.170 10 5 FGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000246371771 497710798 /nfs/dbraw/zinc/71/07/98/497710798.db2.gz YOQZZVSJJHGSDZ-MISYRCLQSA-N 1 1 356.422 3.216 10 5 FGBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123020667 700699061 /nfs/dbraw/zinc/69/90/61/700699061.db2.gz JFRIZBLVIJZAEN-ZDUSSCGKSA-N 1 1 356.264 3.273 10 5 FGBEMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116294801 494753602 /nfs/dbraw/zinc/75/36/02/494753602.db2.gz SNAMRVRHSACKGW-OAHLLOKOSA-N 1 1 359.382 3.362 10 5 FGBEMO Cn1nccc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000092810606 494755887 /nfs/dbraw/zinc/75/58/87/494755887.db2.gz OKPXXMOSVSUCLZ-UHFFFAOYSA-N 1 1 366.368 3.309 10 5 FGBEMO CCc1nccn1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212158 495432636 /nfs/dbraw/zinc/43/26/36/495432636.db2.gz APELAJDVJYCVHV-KRWDZBQOSA-N 1 1 358.442 3.460 10 5 FGBEMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)nc2c1 ZINC000177034593 495892678 /nfs/dbraw/zinc/89/26/78/495892678.db2.gz MOUDHSOBAHLZSL-ZDUSSCGKSA-N 1 1 353.382 3.065 10 5 FGBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)nc2c1 ZINC000177034593 495892680 /nfs/dbraw/zinc/89/26/80/495892680.db2.gz MOUDHSOBAHLZSL-ZDUSSCGKSA-N 1 1 353.382 3.065 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000172515725 496323796 /nfs/dbraw/zinc/32/37/96/496323796.db2.gz ZTJNHCCWFPBJPI-CQSZACIVSA-N 1 1 362.817 3.484 10 5 FGBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000181248494 496327086 /nfs/dbraw/zinc/32/70/86/496327086.db2.gz DEALPLVFBHHNTO-ZDUSSCGKSA-N 1 1 351.472 3.309 10 5 FGBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000175344701 496348585 /nfs/dbraw/zinc/34/85/85/496348585.db2.gz DOTBUHFPBCQQGE-CYBMUJFWSA-N 1 1 373.400 3.121 10 5 FGBEMO O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195332995 496892661 /nfs/dbraw/zinc/89/26/61/496892661.db2.gz PHILOOVOADZHCC-MRXNPFEDSA-N 1 1 367.405 3.307 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247816477 496919053 /nfs/dbraw/zinc/91/90/53/496919053.db2.gz WILDWVQPXAMHNH-HUUCEWRRSA-N 1 1 371.441 3.018 10 5 FGBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000246112294 497625189 /nfs/dbraw/zinc/62/51/89/497625189.db2.gz NNDSMIOFPMRBQU-IINYFYTJSA-N 1 1 359.348 3.072 10 5 FGBEMO CCC[N@H+]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301403645 498094721 /nfs/dbraw/zinc/09/47/21/498094721.db2.gz SCVBDMSWYICGHL-UHFFFAOYSA-N 1 1 355.442 3.282 10 5 FGBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000252707570 713673720 /nfs/dbraw/zinc/67/37/20/713673720.db2.gz XNDBFRHJFMRQJJ-YPMHNXCESA-N 1 1 354.248 3.026 10 5 FGBEMO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000090592270 494485311 /nfs/dbraw/zinc/48/53/11/494485311.db2.gz MBXXMICNTUGGNK-KRWDZBQOSA-N 1 1 359.430 3.330 10 5 FGBEMO CCn1cc(C[N@@H+]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000112695461 495224243 /nfs/dbraw/zinc/22/42/43/495224243.db2.gz JCJCDACXGHLPJY-UHFFFAOYSA-N 1 1 363.849 3.177 10 5 FGBEMO CCn1cc(C[N@H+]2CCCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000112695461 495224247 /nfs/dbraw/zinc/22/42/47/495224247.db2.gz JCJCDACXGHLPJY-UHFFFAOYSA-N 1 1 363.849 3.177 10 5 FGBEMO CCOC(=O)c1cc(N2CCC[C@H](n3cc[nH+]c3CC)C2)ccc1[N+](=O)[O-] ZINC000125766412 495495362 /nfs/dbraw/zinc/49/53/62/495495362.db2.gz HJBVIPVZAZZWJL-HNNXBMFYSA-N 1 1 372.425 3.372 10 5 FGBEMO CCOC(=O)c1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154933632 495776615 /nfs/dbraw/zinc/77/66/15/495776615.db2.gz MFPXTFWHKWAGHX-AWEZNQCLSA-N 1 1 361.442 3.225 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177191651 495969061 /nfs/dbraw/zinc/96/90/61/495969061.db2.gz SHIXCUAOBLQBLU-BBRMVZONSA-N 1 1 374.466 3.272 10 5 FGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000248393326 496993126 /nfs/dbraw/zinc/99/31/26/496993126.db2.gz LOCNYMMDKLAWEG-LMMKCTJWSA-N 1 1 359.470 3.249 10 5 FGBEMO Cn1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245537343 497444059 /nfs/dbraw/zinc/44/40/59/497444059.db2.gz IWQWYPNRARRQHT-QZTJIDSGSA-N 1 1 356.426 3.139 10 5 FGBEMO Cn1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245537343 497444065 /nfs/dbraw/zinc/44/40/65/497444065.db2.gz IWQWYPNRARRQHT-QZTJIDSGSA-N 1 1 356.426 3.139 10 5 FGBEMO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245537341 497444722 /nfs/dbraw/zinc/44/47/22/497444722.db2.gz IWQWYPNRARRQHT-MSOLQXFVSA-N 1 1 356.426 3.139 10 5 FGBEMO Cn1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245537341 497444723 /nfs/dbraw/zinc/44/47/23/497444723.db2.gz IWQWYPNRARRQHT-MSOLQXFVSA-N 1 1 356.426 3.139 10 5 FGBEMO 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CC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000176365157 495621428 /nfs/dbraw/zinc/62/14/28/495621428.db2.gz OHRVACQVRQBZRG-YCXXCVGLSA-N 1 1 360.458 3.360 10 5 FGBEMO Cc1ccc(N2CCC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000182749090 495687490 /nfs/dbraw/zinc/68/74/90/495687490.db2.gz JQCVUEXRGKFICI-MRXNPFEDSA-N 1 1 355.442 3.275 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179721292 495704611 /nfs/dbraw/zinc/70/46/11/495704611.db2.gz KYTGWKURPLTVFT-AWEZNQCLSA-N 1 1 366.421 3.326 10 5 FGBEMO CC[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000176695189 495750208 /nfs/dbraw/zinc/75/02/08/495750208.db2.gz CNRRAPINTNYPHE-MSOLQXFVSA-N 1 1 371.441 3.425 10 5 FGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000184841043 496552242 /nfs/dbraw/zinc/55/22/42/496552242.db2.gz FUGGWZDZFIRMMI-IEBWSBKVSA-N 1 1 370.453 3.360 10 5 FGBEMO 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Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106211523 495433004 /nfs/dbraw/zinc/43/30/04/495433004.db2.gz IPPBTCDYZCDURK-YOEHRIQHSA-N 1 1 371.441 3.109 10 5 FGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505784 496944552 /nfs/dbraw/zinc/94/45/52/496944552.db2.gz LZLUMTONYFFGNE-GFCCVEGCSA-N 1 1 368.397 3.309 10 5 FGBEMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000261405980 497410040 /nfs/dbraw/zinc/41/00/40/497410040.db2.gz OZZMGFFUMYLYRT-CQSZACIVSA-N 1 1 360.458 3.163 10 5 FGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000245515871 497437689 /nfs/dbraw/zinc/43/76/89/497437689.db2.gz FADARTIZQMPRDF-RDJZCZTQSA-N 1 1 355.442 3.355 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191335966 497784107 /nfs/dbraw/zinc/78/41/07/497784107.db2.gz YVFYTJMAQZKOGH-OAHLLOKOSA-N 1 1 357.414 3.413 10 5 FGBEMO COc1ccc([C@H]2[C@H](CNc3c([N+](=O)[O-])c(C)nn3C)CCC[N@H+]2C)cc1 ZINC000301308557 498049664 /nfs/dbraw/zinc/04/96/64/498049664.db2.gz WQZSQOYAGZSQBM-YJBOKZPZSA-N 1 1 373.457 3.140 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123022264 700699157 /nfs/dbraw/zinc/69/91/57/700699157.db2.gz XNDBFRHJFMRQJJ-WCQYABFASA-N 1 1 354.248 3.026 10 5 FGBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000245426025 713604853 /nfs/dbraw/zinc/60/48/53/713604853.db2.gz FLXZNPWBUZFBCH-OLZOCXBDSA-N 1 1 352.822 3.339 10 5 FGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000182752846 495689453 /nfs/dbraw/zinc/68/94/53/495689453.db2.gz ATDROERQADRBRZ-KRWDZBQOSA-N 1 1 371.485 3.257 10 5 FGBEMO CC[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000175542147 496433802 /nfs/dbraw/zinc/43/38/02/496433802.db2.gz PEOMAMUVODHHFT-CVEARBPZSA-N 1 1 360.414 3.241 10 5 FGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185134477 496675435 /nfs/dbraw/zinc/67/54/35/496675435.db2.gz IJELPIFSPWEQKY-UKRRQHHQSA-N 1 1 351.422 3.074 10 5 FGBEMO [NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000019795695 211255110 /nfs/dbraw/zinc/25/51/10/211255110.db2.gz VIXRWWQMWKVJNM-CQSZACIVSA-N 1 1 352.177 3.448 10 5 FGBEMO Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000133499836 495021061 /nfs/dbraw/zinc/02/10/61/495021061.db2.gz AKIMYVCIGZELQJ-UKRRQHHQSA-N 1 1 353.426 3.397 10 5 FGBEMO CCOC(=O)c1cc(N2CCC[C@@H](n3cc[nH+]c3CC)C2)ccc1[N+](=O)[O-] ZINC000125766169 495495630 /nfs/dbraw/zinc/49/56/30/495495630.db2.gz HJBVIPVZAZZWJL-OAHLLOKOSA-N 1 1 372.425 3.372 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185462209 495585906 /nfs/dbraw/zinc/58/59/06/495585906.db2.gz PDTCVGGCHGHDRB-SWLSCSKDSA-N 1 1 360.389 3.034 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000174198992 495860825 /nfs/dbraw/zinc/86/08/25/495860825.db2.gz WTKLFPIBOPOMOH-INIZCTEOSA-N 1 1 356.426 3.393 10 5 FGBEMO CCn1cc(C2CC[NH+](Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000184193754 496280189 /nfs/dbraw/zinc/28/01/89/496280189.db2.gz IWQGDIFYFXYVGZ-UHFFFAOYSA-N 1 1 362.405 3.339 10 5 FGBEMO COc1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000184219594 496290664 /nfs/dbraw/zinc/29/06/64/496290664.db2.gz JMTDJPLASGGCMV-CYBMUJFWSA-N 1 1 360.389 3.072 10 5 FGBEMO COc1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000184219594 496290669 /nfs/dbraw/zinc/29/06/69/496290669.db2.gz JMTDJPLASGGCMV-CYBMUJFWSA-N 1 1 360.389 3.072 10 5 FGBEMO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000181786268 496543880 /nfs/dbraw/zinc/54/38/80/496543880.db2.gz SGZUFAVWAABKPN-LBPRGKRZSA-N 1 1 372.347 3.316 10 5 FGBEMO Cc1ccc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)nn1 ZINC000182134421 496682171 /nfs/dbraw/zinc/68/21/71/496682171.db2.gz SIPLGEASRDGGJL-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO Cc1ccc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)nn1 ZINC000182134421 496682176 /nfs/dbraw/zinc/68/21/76/496682176.db2.gz SIPLGEASRDGGJL-UHFFFAOYSA-N 1 1 361.833 3.059 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000116278479 494750604 /nfs/dbraw/zinc/75/06/04/494750604.db2.gz ABFPFZARIDIVQT-AWEZNQCLSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000116278479 494750611 /nfs/dbraw/zinc/75/06/11/494750611.db2.gz ABFPFZARIDIVQT-AWEZNQCLSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000121926173 494891911 /nfs/dbraw/zinc/89/19/11/494891911.db2.gz DTANYTCLKBFFFP-RCMYXZNBSA-N 1 1 355.442 3.229 10 5 FGBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093437274 494892045 /nfs/dbraw/zinc/89/20/45/494892045.db2.gz WDSRGXLTHMBSDV-CXAGYDPISA-N 1 1 358.467 3.387 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000109676660 494906379 /nfs/dbraw/zinc/90/63/79/494906379.db2.gz PYYFGLGEBTVMLJ-CYBMUJFWSA-N 1 1 362.817 3.484 10 5 FGBEMO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216946 495435463 /nfs/dbraw/zinc/43/54/63/495435463.db2.gz FMIQKHVARRQQBE-INIZCTEOSA-N 1 1 372.425 3.057 10 5 FGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216946 495435467 /nfs/dbraw/zinc/43/54/67/495435467.db2.gz FMIQKHVARRQQBE-INIZCTEOSA-N 1 1 372.425 3.057 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216946 495435473 /nfs/dbraw/zinc/43/54/73/495435473.db2.gz FMIQKHVARRQQBE-INIZCTEOSA-N 1 1 372.425 3.057 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000177191623 495968663 /nfs/dbraw/zinc/96/86/63/495968663.db2.gz SHIXCUAOBLQBLU-CJNGLKHVSA-N 1 1 374.466 3.272 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000172179387 496197112 /nfs/dbraw/zinc/19/71/12/496197112.db2.gz MHLVYCABRZYLGP-AWEZNQCLSA-N 1 1 363.849 3.369 10 5 FGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000172179387 496197116 /nfs/dbraw/zinc/19/71/16/496197116.db2.gz MHLVYCABRZYLGP-AWEZNQCLSA-N 1 1 363.849 3.369 10 5 FGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188100760 496683215 /nfs/dbraw/zinc/68/32/15/496683215.db2.gz SWLNZKKZMHRBGT-RDJZCZTQSA-N 1 1 362.451 3.263 10 5 FGBEMO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000195500203 496940172 /nfs/dbraw/zinc/94/01/72/496940172.db2.gz AJBBCQATZRAMDF-CQSZACIVSA-N 1 1 371.441 3.018 10 5 FGBEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301987808 498358021 /nfs/dbraw/zinc/35/80/21/498358021.db2.gz DPWPPWYIQRUQIH-ZDUSSCGKSA-N 1 1 367.409 3.176 10 5 FGBEMO C[C@@H]1C[C@@H](CNc2cc(CO)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302016583 498369151 /nfs/dbraw/zinc/36/91/51/498369151.db2.gz CLSYWFJZIWQWLR-QAPCUYQASA-N 1 1 355.438 3.410 10 5 FGBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000302759042 498562167 /nfs/dbraw/zinc/56/21/67/498562167.db2.gz JNDSPKLWNJDHQM-QGZVFWFLSA-N 1 1 353.422 3.356 10 5 FGBEMO Cc1cc(N2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)nc(C)[nH+]1 ZINC000302805178 498583544 /nfs/dbraw/zinc/58/35/44/498583544.db2.gz FLDJQCPPTBOIGG-UHFFFAOYSA-N 1 1 361.833 3.290 10 5 FGBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000172179047 705410039 /nfs/dbraw/zinc/41/00/39/705410039.db2.gz OCQYDBLMKPBJCU-HNNXBMFYSA-N 1 1 361.833 3.139 10 5 FGBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000172179047 705410041 /nfs/dbraw/zinc/41/00/41/705410041.db2.gz OCQYDBLMKPBJCU-HNNXBMFYSA-N 1 1 361.833 3.139 10 5 FGBEMO Cn1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092810660 494756068 /nfs/dbraw/zinc/75/60/68/494756068.db2.gz SPHPSVYXLKWECM-UHFFFAOYSA-N 1 1 366.425 3.098 10 5 FGBEMO CC(C)c1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000121573787 494807445 /nfs/dbraw/zinc/80/74/45/494807445.db2.gz VFZJGDFVEADQTA-UHFFFAOYSA-N 1 1 371.485 3.160 10 5 FGBEMO CC(C)c1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000121573787 494807449 /nfs/dbraw/zinc/80/74/49/494807449.db2.gz VFZJGDFVEADQTA-UHFFFAOYSA-N 1 1 371.485 3.160 10 5 FGBEMO CC(C)c1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000121573787 494807455 /nfs/dbraw/zinc/80/74/55/494807455.db2.gz VFZJGDFVEADQTA-UHFFFAOYSA-N 1 1 371.485 3.160 10 5 FGBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113227405 495285575 /nfs/dbraw/zinc/28/55/75/495285575.db2.gz VCOZNISCRFBPFB-SWLSCSKDSA-N 1 1 372.450 3.027 10 5 FGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000160782990 496040868 /nfs/dbraw/zinc/04/08/68/496040868.db2.gz JDUFGGVGSHSMRP-SWLSCSKDSA-N 1 1 351.472 3.165 10 5 FGBEMO CCc1csc([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000195379381 496905907 /nfs/dbraw/zinc/90/59/07/496905907.db2.gz ZEPMMVWRNSONKX-AWEZNQCLSA-N 1 1 374.466 3.092 10 5 FGBEMO COc1ccc([C@@H]2[C@@H](CNc3ncccc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000301246626 498019319 /nfs/dbraw/zinc/01/93/19/498019319.db2.gz AWTWMMKQCIGLLR-CRAIPNDOSA-N 1 1 356.426 3.493 10 5 FGBEMO CCc1cc(N2CC[C@H]([N@H+](C)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302747332 498556957 /nfs/dbraw/zinc/55/69/57/498556957.db2.gz FQRGIRKFOJQBKW-KRWDZBQOSA-N 1 1 355.442 3.145 10 5 FGBEMO Cn1nccc1C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089891963 494394859 /nfs/dbraw/zinc/39/48/59/494394859.db2.gz QAGJQKLXYPEAJD-UHFFFAOYSA-N 1 1 367.409 3.363 10 5 FGBEMO CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000133837709 495068265 /nfs/dbraw/zinc/06/82/65/495068265.db2.gz 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CSMFFCLSVLRZRD-RHSMWYFYSA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247537936 496882802 /nfs/dbraw/zinc/88/28/02/496882802.db2.gz CSMFFCLSVLRZRD-RHSMWYFYSA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247582469 496893461 /nfs/dbraw/zinc/89/34/61/496893461.db2.gz IPPBTCDYZCDURK-RHSMWYFYSA-N 1 1 371.441 3.109 10 5 FGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247582469 496893465 /nfs/dbraw/zinc/89/34/65/496893465.db2.gz IPPBTCDYZCDURK-RHSMWYFYSA-N 1 1 371.441 3.109 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247816474 496918480 /nfs/dbraw/zinc/91/84/80/496918480.db2.gz WILDWVQPXAMHNH-CABCVRRESA-N 1 1 371.441 3.018 10 5 FGBEMO CCn1cc(C[N@H+]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000255080699 497358066 /nfs/dbraw/zinc/35/80/66/497358066.db2.gz ZDUVGUANFISVEF-YVMONPNESA-N 1 1 369.469 3.032 10 5 FGBEMO CCn1cc(CN2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000255080699 497358068 /nfs/dbraw/zinc/35/80/68/497358068.db2.gz ZDUVGUANFISVEF-YVMONPNESA-N 1 1 369.469 3.032 10 5 FGBEMO CCn1cc(CN2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000255080699 497358071 /nfs/dbraw/zinc/35/80/71/497358071.db2.gz ZDUVGUANFISVEF-YVMONPNESA-N 1 1 369.469 3.032 10 5 FGBEMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1N1CCOCC1 ZINC000245724694 497517267 /nfs/dbraw/zinc/51/72/67/497517267.db2.gz IOVULFYDTAXKFU-HNAYVOBHSA-N 1 1 371.437 3.007 10 5 FGBEMO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301261456 498025855 /nfs/dbraw/zinc/02/58/55/498025855.db2.gz FJYNFDIRVVAHQJ-OAHLLOKOSA-N 1 1 355.442 3.138 10 5 FGBEMO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301692716 498227360 /nfs/dbraw/zinc/22/73/60/498227360.db2.gz XIBBJRUKUGHGPH-YUTCNCBUSA-N 1 1 366.259 3.278 10 5 FGBEMO 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CC[C@H](NC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000090553757 494481708 /nfs/dbraw/zinc/48/17/08/494481708.db2.gz XWTDDPMLIKBTIP-GUYCJALGSA-N 1 1 359.430 3.186 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000109678317 494905802 /nfs/dbraw/zinc/90/58/02/494905802.db2.gz TZFKQWXRDFUOJV-OAHLLOKOSA-N 1 1 371.441 3.019 10 5 FGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202622 495353592 /nfs/dbraw/zinc/35/35/92/495353592.db2.gz RTXHIXIVDQMCHC-QGZVFWFLSA-N 1 1 357.414 3.182 10 5 FGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212154 495433317 /nfs/dbraw/zinc/43/33/17/495433317.db2.gz APELAJDVJYCVHV-QGZVFWFLSA-N 1 1 358.442 3.460 10 5 FGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177058418 495905721 /nfs/dbraw/zinc/90/57/21/495905721.db2.gz UMGYTURPKZHUGH-OAHLLOKOSA-N 1 1 355.398 3.423 10 5 FGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177058418 495905725 /nfs/dbraw/zinc/90/57/25/495905725.db2.gz UMGYTURPKZHUGH-OAHLLOKOSA-N 1 1 355.398 3.423 10 5 FGBEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177706660 496165805 /nfs/dbraw/zinc/16/58/05/496165805.db2.gz CDBVQGXAECCDFV-XJKSGUPXSA-N 1 1 359.430 3.122 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185257996 496719526 /nfs/dbraw/zinc/71/95/26/496719526.db2.gz TVLVAJQGLMLHBD-ZFWWWQNUSA-N 1 1 374.416 3.460 10 5 FGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000246371803 497710879 /nfs/dbraw/zinc/71/08/79/497710879.db2.gz YOQZZVSJJHGSDZ-YZGWKJHDSA-N 1 1 356.422 3.216 10 5 FGBEMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000246577065 497780580 /nfs/dbraw/zinc/78/05/80/497780580.db2.gz FGLYPGYMFXTWPU-SJLPKXTDSA-N 1 1 360.410 3.463 10 5 FGBEMO Cc1cc(N2CC[N@H+](C)C[C@@H]2C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301390853 498089455 /nfs/dbraw/zinc/08/94/55/498089455.db2.gz ZLSSENKCTDYMIF-QGZVFWFLSA-N 1 1 355.442 3.137 10 5 FGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000110585875 494991820 /nfs/dbraw/zinc/99/18/20/494991820.db2.gz NYXZITUJFSHYTN-CQSZACIVSA-N 1 1 369.425 3.080 10 5 FGBEMO Cn1cc([C@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000128364370 495085745 /nfs/dbraw/zinc/08/57/45/495085745.db2.gz MSBMVPIKTCXTDS-AWEZNQCLSA-N 1 1 369.450 3.441 10 5 FGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080129 495410419 /nfs/dbraw/zinc/41/04/19/495410419.db2.gz XLIYHJOKPOYNJO-UHFFFAOYSA-N 1 1 371.441 3.249 10 5 FGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136958019 495412458 /nfs/dbraw/zinc/41/24/58/495412458.db2.gz MNPIHDPYPOYXPO-LBPRGKRZSA-N 1 1 362.817 3.484 10 5 FGBEMO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000141155026 495502625 /nfs/dbraw/zinc/50/26/25/495502625.db2.gz CZLFYOSDGDJMGI-UHFFFAOYSA-N 1 1 358.398 3.200 10 5 FGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182749239 495687199 /nfs/dbraw/zinc/68/71/99/495687199.db2.gz FADARTIZQMPRDF-NVXWUHKLSA-N 1 1 355.442 3.355 10 5 FGBEMO Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000171648762 495968234 /nfs/dbraw/zinc/96/82/34/495968234.db2.gz KVTZWZZIOHHRBK-MRXNPFEDSA-N 1 1 356.426 3.111 10 5 FGBEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000171648762 495968237 /nfs/dbraw/zinc/96/82/37/495968237.db2.gz KVTZWZZIOHHRBK-MRXNPFEDSA-N 1 1 356.426 3.111 10 5 FGBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000195171254 496840468 /nfs/dbraw/zinc/84/04/68/496840468.db2.gz QEJJQOSJONGEDJ-QGZVFWFLSA-N 1 1 368.437 3.083 10 5 FGBEMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301178566 497984837 /nfs/dbraw/zinc/98/48/37/497984837.db2.gz GXKBFURFHJSABY-LOWQCSRCSA-N 1 1 359.426 3.210 10 5 FGBEMO CCC[N@H+]1CCCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301273328 498031989 /nfs/dbraw/zinc/03/19/89/498031989.db2.gz KHOTUZABSJZORI-UHFFFAOYSA-N 1 1 355.442 3.282 10 5 FGBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000312974606 498766596 /nfs/dbraw/zinc/76/65/96/498766596.db2.gz KRZMCMUKPCKAMN-KZNAEPCWSA-N 1 1 369.469 3.442 10 5 FGBEMO Cn1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093585045 494901996 /nfs/dbraw/zinc/90/19/96/494901996.db2.gz RBJHHWXXLADBAO-YLJYHZDGSA-N 1 1 370.453 3.122 10 5 FGBEMO Cc1nc(CN2CCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000127954570 495022266 /nfs/dbraw/zinc/02/22/66/495022266.db2.gz CWXFWYZGJYEFHD-UHFFFAOYSA-N 1 1 373.457 3.118 10 5 FGBEMO Cc1nc(CN2CCC[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000127954570 495022267 /nfs/dbraw/zinc/02/22/67/495022267.db2.gz CWXFWYZGJYEFHD-UHFFFAOYSA-N 1 1 373.457 3.118 10 5 FGBEMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1N1CCOCC1 ZINC000180229535 495916542 /nfs/dbraw/zinc/91/65/42/495916542.db2.gz FQMVPXFQHKUHRA-KXBFYZLASA-N 1 1 371.437 3.007 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175148807 496267782 /nfs/dbraw/zinc/26/77/82/496267782.db2.gz MAOBKQDRGHSRGJ-ZDUSSCGKSA-N 1 1 363.805 3.450 10 5 FGBEMO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000195500216 496940086 /nfs/dbraw/zinc/94/00/86/496940086.db2.gz SQICNLLLENQZFB-CQSZACIVSA-N 1 1 371.441 3.018 10 5 FGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271313929 497317335 /nfs/dbraw/zinc/31/73/35/497317335.db2.gz JFQKEUUEAUOJIG-ZDUSSCGKSA-N 1 1 352.341 3.370 10 5 FGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271313925 497317727 /nfs/dbraw/zinc/31/77/27/497317727.db2.gz JFQKEUUEAUOJIG-CYBMUJFWSA-N 1 1 352.341 3.370 10 5 FGBEMO CN(c1cc(CO)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302055002 498386351 /nfs/dbraw/zinc/38/63/51/498386351.db2.gz QGOGNHQSEYTHJA-SFHVURJKSA-N 1 1 355.438 3.188 10 5 FGBEMO CCc1cc(N2CC[C@@H]([N@H+](C)CC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302747333 498556805 /nfs/dbraw/zinc/55/68/05/498556805.db2.gz FQRGIRKFOJQBKW-QGZVFWFLSA-N 1 1 355.442 3.145 10 5 FGBEMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000180721501 705754739 /nfs/dbraw/zinc/75/47/39/705754739.db2.gz JURGLFYFZKXLOW-SECBINFHSA-N 1 1 351.765 3.337 10 5 FGBEMO CC(=O)c1ccc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000190446893 257368351 /nfs/dbraw/zinc/36/83/51/257368351.db2.gz WLXIIXZEBWFVJR-KRWDZBQOSA-N 1 1 368.437 3.151 10 5 FGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](n4cncn4)C3)o2)c1 ZINC000179467733 495602814 /nfs/dbraw/zinc/60/28/14/495602814.db2.gz WMQKWGOVRRJHHT-INIZCTEOSA-N 1 1 353.382 3.283 10 5 FGBEMO Cc1ccc(N2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 ZINC000182749109 495687683 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