smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331549 495143593 /nfs/dbraw/zinc/14/35/93/495143593.db2.gz YBXNWQZOPZIQOS-SFHVURJKSA-N 2 2 367.409 3.419 10 5 FGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331549 495143597 /nfs/dbraw/zinc/14/35/97/495143597.db2.gz YBXNWQZOPZIQOS-SFHVURJKSA-N 2 2 367.409 3.419 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489493 /nfs/dbraw/zinc/48/94/93/497489493.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489495 /nfs/dbraw/zinc/48/94/95/497489495.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489502 /nfs/dbraw/zinc/48/95/02/497489502.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465058 497489508 /nfs/dbraw/zinc/48/95/08/497489508.db2.gz UIPXRBXXFFLQGK-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872587 /nfs/dbraw/zinc/87/25/87/500872587.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 2 2 366.465 3.457 10 5 FGBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872589 /nfs/dbraw/zinc/87/25/89/500872589.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872591 /nfs/dbraw/zinc/87/25/91/500872591.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646240 500872593 /nfs/dbraw/zinc/87/25/93/500872593.db2.gz PDGWHUKLZHKIGG-NVAPOSRTSA-N 2 2 366.465 3.457 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699159 495652955 /nfs/dbraw/zinc/65/29/55/495652955.db2.gz UBTVNPIMDIPVMK-OAHLLOKOSA-N 2 2 374.441 3.078 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699159 495652961 /nfs/dbraw/zinc/65/29/61/495652961.db2.gz UBTVNPIMDIPVMK-OAHLLOKOSA-N 2 2 374.441 3.078 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000247806268 496917225 /nfs/dbraw/zinc/91/72/25/496917225.db2.gz STHPDQUPRCSCOZ-RHSMWYFYSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000247806268 496917229 /nfs/dbraw/zinc/91/72/29/496917229.db2.gz STHPDQUPRCSCOZ-RHSMWYFYSA-N 2 2 371.441 3.018 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490183 /nfs/dbraw/zinc/49/01/83/497490183.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490187 /nfs/dbraw/zinc/49/01/87/497490187.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490193 /nfs/dbraw/zinc/49/01/93/497490193.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465030 497490199 /nfs/dbraw/zinc/49/01/99/497490199.db2.gz LETNHBQMSYCHCJ-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640834 495960604 /nfs/dbraw/zinc/96/06/04/495960604.db2.gz GNDLNCHUWLPVBH-INIZCTEOSA-N 2 2 356.426 3.193 10 5 FGBELP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640834 495960610 /nfs/dbraw/zinc/96/06/10/495960610.db2.gz GNDLNCHUWLPVBH-INIZCTEOSA-N 2 2 356.426 3.193 10 5 FGBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498308 /nfs/dbraw/zinc/49/83/08/497498308.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 2 2 366.465 3.457 10 5 FGBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498312 /nfs/dbraw/zinc/49/83/12/497498312.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498316 /nfs/dbraw/zinc/49/83/16/497498316.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480580 497498321 /nfs/dbraw/zinc/49/83/21/497498321.db2.gz PDGWHUKLZHKIGG-MEQKGCOVSA-N 2 2 366.465 3.457 10 5 FGBELP Cc1cc(N(C)CC2CC[NH+](C)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301202391 497996787 /nfs/dbraw/zinc/99/67/87/497996787.db2.gz PZEFKSURGTYMHK-UHFFFAOYSA-N 2 2 355.442 3.138 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217426 495435294 /nfs/dbraw/zinc/43/52/94/495435294.db2.gz ACDGNGAFYCZDFQ-WMLDXEAASA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217426 495435297 /nfs/dbraw/zinc/43/52/97/495435297.db2.gz ACDGNGAFYCZDFQ-WMLDXEAASA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217575 495435943 /nfs/dbraw/zinc/43/59/43/495435943.db2.gz IBMQFOAYOJHYDW-QGZVFWFLSA-N 2 2 371.441 3.019 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217575 495435948 /nfs/dbraw/zinc/43/59/48/495435948.db2.gz IBMQFOAYOJHYDW-QGZVFWFLSA-N 2 2 371.441 3.019 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184207948 496286176 /nfs/dbraw/zinc/28/61/76/496286176.db2.gz NSKLDVRSYPUZFM-AWEZNQCLSA-N 2 2 362.405 3.339 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184207948 496286179 /nfs/dbraw/zinc/28/61/79/496286179.db2.gz NSKLDVRSYPUZFM-AWEZNQCLSA-N 2 2 362.405 3.339 10 5 FGBELP Cc1c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879514 /nfs/dbraw/zinc/87/95/14/496879514.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879516 /nfs/dbraw/zinc/87/95/16/496879516.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879517 /nfs/dbraw/zinc/87/95/17/496879517.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297329 496879519 /nfs/dbraw/zinc/87/95/19/496879519.db2.gz VSOBBJBKEHEZTH-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193916431 497519676 /nfs/dbraw/zinc/51/96/76/497519676.db2.gz PDUWRVKUKLQJOU-HNNXBMFYSA-N 2 2 359.386 3.099 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193916431 497519679 /nfs/dbraw/zinc/51/96/79/497519679.db2.gz PDUWRVKUKLQJOU-HNNXBMFYSA-N 2 2 359.386 3.099 10 5 FGBELP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792113 495949062 /nfs/dbraw/zinc/94/90/62/495949062.db2.gz LAGRPFCNAWRBHM-LEWJYISDSA-N 2 2 369.465 3.055 10 5 FGBELP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792113 495949066 /nfs/dbraw/zinc/94/90/66/495949066.db2.gz LAGRPFCNAWRBHM-LEWJYISDSA-N 2 2 369.465 3.055 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246907302 497819715 /nfs/dbraw/zinc/81/97/15/497819715.db2.gz ACDGNGAFYCZDFQ-PBHICJAKSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246907302 497819716 /nfs/dbraw/zinc/81/97/16/497819716.db2.gz ACDGNGAFYCZDFQ-PBHICJAKSA-N 2 2 371.441 3.018 10 5 FGBELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH+]1 ZINC000193855402 497503202 /nfs/dbraw/zinc/50/32/02/497503202.db2.gz IPXROLHHKIASHW-AWEZNQCLSA-N 2 2 371.397 3.140 10 5 FGBELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH+]1 ZINC000193855402 497503208 /nfs/dbraw/zinc/50/32/08/497503208.db2.gz IPXROLHHKIASHW-AWEZNQCLSA-N 2 2 371.397 3.140 10 5 FGBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000177034609 495892580 /nfs/dbraw/zinc/89/25/80/495892580.db2.gz MOUDHSOBAHLZSL-CYBMUJFWSA-N 2 2 353.382 3.065 10 5 FGBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000177034609 495892587 /nfs/dbraw/zinc/89/25/87/495892587.db2.gz MOUDHSOBAHLZSL-CYBMUJFWSA-N 2 2 353.382 3.065 10 5 FGBELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH+]1 ZINC000193855416 497502617 /nfs/dbraw/zinc/50/26/17/497502617.db2.gz IPXROLHHKIASHW-CQSZACIVSA-N 2 2 371.397 3.140 10 5 FGBELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH+]1 ZINC000193855416 497502623 /nfs/dbraw/zinc/50/26/23/497502623.db2.gz IPXROLHHKIASHW-CQSZACIVSA-N 2 2 371.397 3.140 10 5 FGBELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)[nH+]1 ZINC000177034860 495894605 /nfs/dbraw/zinc/89/46/05/495894605.db2.gz LQDCMKYYDPTLOL-CQSZACIVSA-N 2 2 367.409 3.373 10 5 FGBELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)[nH+]1 ZINC000177034860 495894609 /nfs/dbraw/zinc/89/46/09/495894609.db2.gz LQDCMKYYDPTLOL-CQSZACIVSA-N 2 2 367.409 3.373 10 5 FGBELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccc([N+](=O)[O-])c1 ZINC000180576820 496051910 /nfs/dbraw/zinc/05/19/10/496051910.db2.gz PCTOIKOWSNXNGM-DLBZAZTESA-N 2 2 370.457 3.136 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177058631 495906247 /nfs/dbraw/zinc/90/62/47/495906247.db2.gz ISRZOLQDTJRQBE-CQSZACIVSA-N 2 2 355.398 3.332 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177058631 495906251 /nfs/dbraw/zinc/90/62/51/495906251.db2.gz ISRZOLQDTJRQBE-CQSZACIVSA-N 2 2 355.398 3.332 10 5 FGBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872700 /nfs/dbraw/zinc/87/27/00/500872700.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 2 2 366.465 3.457 10 5 FGBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872703 /nfs/dbraw/zinc/87/27/03/500872703.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872706 /nfs/dbraw/zinc/87/27/06/500872706.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000434646241 500872708 /nfs/dbraw/zinc/87/27/08/500872708.db2.gz PDGWHUKLZHKIGG-ZXYDQQDNSA-N 2 2 366.465 3.457 10 5 FGBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000180567665 496047162 /nfs/dbraw/zinc/04/71/62/496047162.db2.gz QNKKQUGXHDLBQK-GJZGRUSLSA-N 2 2 370.457 3.055 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000122889759 495047255 /nfs/dbraw/zinc/04/72/55/495047255.db2.gz KZACBYKQTCCGDV-OAHLLOKOSA-N 2 2 374.441 3.208 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000122889759 495047261 /nfs/dbraw/zinc/04/72/61/495047261.db2.gz KZACBYKQTCCGDV-OAHLLOKOSA-N 2 2 374.441 3.208 10 5 FGBELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccc([N+](=O)[O-])c1 ZINC000180576856 496051967 /nfs/dbraw/zinc/05/19/67/496051967.db2.gz PCTOIKOWSNXNGM-IAGOWNOFSA-N 2 2 370.457 3.136 10 5 FGBELP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000184219651 496291151 /nfs/dbraw/zinc/29/11/51/496291151.db2.gz GQSDHOCLTFETAU-AWEZNQCLSA-N 2 2 374.416 3.380 10 5 FGBELP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000184219651 496291154 /nfs/dbraw/zinc/29/11/54/496291154.db2.gz GQSDHOCLTFETAU-AWEZNQCLSA-N 2 2 374.416 3.380 10 5 FGBELP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000184219666 496291969 /nfs/dbraw/zinc/29/19/69/496291969.db2.gz GQSDHOCLTFETAU-CQSZACIVSA-N 2 2 374.416 3.380 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258394 496865282 /nfs/dbraw/zinc/86/52/82/496865282.db2.gz GXZCSPSTHQEGQK-KRWDZBQOSA-N 2 2 374.510 3.356 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258394 496865288 /nfs/dbraw/zinc/86/52/88/496865288.db2.gz GXZCSPSTHQEGQK-KRWDZBQOSA-N 2 2 374.510 3.356 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258394 496865294 /nfs/dbraw/zinc/86/52/94/496865294.db2.gz GXZCSPSTHQEGQK-KRWDZBQOSA-N 2 2 374.510 3.356 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258394 496865296 /nfs/dbraw/zinc/86/52/96/496865296.db2.gz GXZCSPSTHQEGQK-KRWDZBQOSA-N 2 2 374.510 3.356 10 5 FGBELP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000184219610 496291027 /nfs/dbraw/zinc/29/10/27/496291027.db2.gz JMTDJPLASGGCMV-ZDUSSCGKSA-N 2 2 360.389 3.072 10 5 FGBELP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000184219610 496291030 /nfs/dbraw/zinc/29/10/30/496291030.db2.gz JMTDJPLASGGCMV-ZDUSSCGKSA-N 2 2 360.389 3.072 10 5 FGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331667 495143357 /nfs/dbraw/zinc/14/33/57/495143357.db2.gz YBXNWQZOPZIQOS-GOSISDBHSA-N 2 2 367.409 3.419 10 5 FGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119331667 495143358 /nfs/dbraw/zinc/14/33/58/495143358.db2.gz YBXNWQZOPZIQOS-GOSISDBHSA-N 2 2 367.409 3.419 10 5 FGBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000180567644 496047696 /nfs/dbraw/zinc/04/76/96/496047696.db2.gz QNKKQUGXHDLBQK-CABCVRRESA-N 2 2 370.457 3.055 10 5 FGBELP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301261455 498026546 /nfs/dbraw/zinc/02/65/46/498026546.db2.gz FJYNFDIRVVAHQJ-HNNXBMFYSA-N 2 2 355.442 3.138 10 5 FGBELP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301261455 498026551 /nfs/dbraw/zinc/02/65/51/498026551.db2.gz FJYNFDIRVVAHQJ-HNNXBMFYSA-N 2 2 355.442 3.138 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106216872 495434832 /nfs/dbraw/zinc/43/48/32/495434832.db2.gz WILDWVQPXAMHNH-GJZGRUSLSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106216872 495434836 /nfs/dbraw/zinc/43/48/36/495434836.db2.gz WILDWVQPXAMHNH-GJZGRUSLSA-N 2 2 371.441 3.018 10 5 FGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180133390 495873326 /nfs/dbraw/zinc/87/33/26/495873326.db2.gz HBFUACVUQIRGJN-OAHLLOKOSA-N 2 2 366.368 3.366 10 5 FGBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180133390 495873327 /nfs/dbraw/zinc/87/33/27/495873327.db2.gz HBFUACVUQIRGJN-OAHLLOKOSA-N 2 2 366.368 3.366 10 5 FGBELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493901 /nfs/dbraw/zinc/49/39/01/497493901.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493905 /nfs/dbraw/zinc/49/39/05/497493905.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493910 /nfs/dbraw/zinc/49/39/10/497493910.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474206 497493915 /nfs/dbraw/zinc/49/39/15/497493915.db2.gz VRRSGKBKWFJCSE-LJQANCHMSA-N 2 2 354.454 3.252 10 5 FGBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498199 /nfs/dbraw/zinc/49/81/99/497498199.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 2 2 366.465 3.457 10 5 FGBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498203 /nfs/dbraw/zinc/49/82/03/497498203.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498207 /nfs/dbraw/zinc/49/82/07/497498207.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 2 2 366.465 3.457 10 5 FGBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190480598 497498210 /nfs/dbraw/zinc/49/82/10/497498210.db2.gz PDGWHUKLZHKIGG-MTCRFPMVSA-N 2 2 366.465 3.457 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184207928 496286229 /nfs/dbraw/zinc/28/62/29/496286229.db2.gz NSKLDVRSYPUZFM-CQSZACIVSA-N 2 2 362.405 3.339 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184207928 496286232 /nfs/dbraw/zinc/28/62/32/496286232.db2.gz NSKLDVRSYPUZFM-CQSZACIVSA-N 2 2 362.405 3.339 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491746 /nfs/dbraw/zinc/49/17/46/497491746.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491749 /nfs/dbraw/zinc/49/17/49/497491749.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491753 /nfs/dbraw/zinc/49/17/53/497491753.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468293 497491756 /nfs/dbraw/zinc/49/17/56/497491756.db2.gz GUYRGIOYIAQVGU-OAHLLOKOSA-N 2 2 360.483 3.314 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217430 495436687 /nfs/dbraw/zinc/43/66/87/495436687.db2.gz ACDGNGAFYCZDFQ-YOEHRIQHSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217430 495436690 /nfs/dbraw/zinc/43/66/90/495436690.db2.gz ACDGNGAFYCZDFQ-YOEHRIQHSA-N 2 2 371.441 3.018 10 5 FGBELP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211195 495908915 /nfs/dbraw/zinc/90/89/15/495908915.db2.gz UFGFPXKEXVNICH-RTWAWAEBSA-N 2 2 369.465 3.121 10 5 FGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180133375 495873077 /nfs/dbraw/zinc/87/30/77/495873077.db2.gz HBFUACVUQIRGJN-HNNXBMFYSA-N 2 2 366.368 3.366 10 5 FGBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180133375 495873081 /nfs/dbraw/zinc/87/30/81/495873081.db2.gz HBFUACVUQIRGJN-HNNXBMFYSA-N 2 2 366.368 3.366 10 5 FGBELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494639 /nfs/dbraw/zinc/49/46/39/497494639.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 2 2 354.454 3.252 10 5 FGBELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494644 /nfs/dbraw/zinc/49/46/44/497494644.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 2 2 354.454 3.252 10 5 FGBELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494647 /nfs/dbraw/zinc/49/46/47/497494647.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 2 2 354.454 3.252 10 5 FGBELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000190474226 497494653 /nfs/dbraw/zinc/49/46/53/497494653.db2.gz VRRSGKBKWFJCSE-IBGZPJMESA-N 2 2 354.454 3.252 10 5 FGBELP Cc1c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879630 /nfs/dbraw/zinc/87/96/30/496879630.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879632 /nfs/dbraw/zinc/87/96/32/496879632.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879633 /nfs/dbraw/zinc/87/96/33/496879633.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000195297311 496879637 /nfs/dbraw/zinc/87/96/37/496879637.db2.gz VSOBBJBKEHEZTH-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193916406 497519433 /nfs/dbraw/zinc/51/94/33/497519433.db2.gz PDUWRVKUKLQJOU-OAHLLOKOSA-N 2 2 359.386 3.099 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193916406 497519440 /nfs/dbraw/zinc/51/94/40/497519440.db2.gz PDUWRVKUKLQJOU-OAHLLOKOSA-N 2 2 359.386 3.099 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217731 495436972 /nfs/dbraw/zinc/43/69/72/495436972.db2.gz GSCGERWIIYTGMI-OAHLLOKOSA-N 2 2 371.441 3.019 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217731 495436977 /nfs/dbraw/zinc/43/69/77/495436977.db2.gz GSCGERWIIYTGMI-OAHLLOKOSA-N 2 2 371.441 3.019 10 5 FGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252298 496308659 /nfs/dbraw/zinc/30/86/59/496308659.db2.gz QBANYQYCBGGFEA-OAHLLOKOSA-N 2 2 356.426 3.323 10 5 FGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175252298 496308664 /nfs/dbraw/zinc/30/86/64/496308664.db2.gz QBANYQYCBGGFEA-OAHLLOKOSA-N 2 2 356.426 3.323 10 5 FGBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000180566073 496046090 /nfs/dbraw/zinc/04/60/90/496046090.db2.gz KYRGDDJKLSWDRT-ZBFHGGJFSA-N 2 2 370.457 3.055 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000122889970 495047671 /nfs/dbraw/zinc/04/76/71/495047671.db2.gz KZACBYKQTCCGDV-HNNXBMFYSA-N 2 2 374.441 3.208 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000122889970 495047672 /nfs/dbraw/zinc/04/76/72/495047672.db2.gz KZACBYKQTCCGDV-HNNXBMFYSA-N 2 2 374.441 3.208 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106216870 495434596 /nfs/dbraw/zinc/43/45/96/495434596.db2.gz WILDWVQPXAMHNH-LSDHHAIUSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106216870 495434597 /nfs/dbraw/zinc/43/45/97/495434597.db2.gz WILDWVQPXAMHNH-LSDHHAIUSA-N 2 2 371.441 3.018 10 5 FGBELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccc([N+](=O)[O-])c1 ZINC000180576839 496052417 /nfs/dbraw/zinc/05/24/17/496052417.db2.gz PCTOIKOWSNXNGM-SJORKVTESA-N 2 2 370.457 3.136 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246907324 497819725 /nfs/dbraw/zinc/81/97/25/497819725.db2.gz ACDGNGAFYCZDFQ-RHSMWYFYSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246907324 497819726 /nfs/dbraw/zinc/81/97/26/497819726.db2.gz ACDGNGAFYCZDFQ-RHSMWYFYSA-N 2 2 371.441 3.018 10 5 FGBELP Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301237963 498015369 /nfs/dbraw/zinc/01/53/69/498015369.db2.gz MXTDIIKVMYQUNO-HNNXBMFYSA-N 2 2 364.409 3.467 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177058645 495905511 /nfs/dbraw/zinc/90/55/11/495905511.db2.gz ISRZOLQDTJRQBE-AWEZNQCLSA-N 2 2 355.398 3.332 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177058645 495905519 /nfs/dbraw/zinc/90/55/19/495905519.db2.gz ISRZOLQDTJRQBE-AWEZNQCLSA-N 2 2 355.398 3.332 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490127 /nfs/dbraw/zinc/49/01/27/497490127.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490133 /nfs/dbraw/zinc/49/01/33/497490133.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490139 /nfs/dbraw/zinc/49/01/39/497490139.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190465007 497490143 /nfs/dbraw/zinc/49/01/43/497490143.db2.gz LETNHBQMSYCHCJ-INIZCTEOSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301237965 498015519 /nfs/dbraw/zinc/01/55/19/498015519.db2.gz MXTDIIKVMYQUNO-OAHLLOKOSA-N 2 2 364.409 3.467 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217577 495436028 /nfs/dbraw/zinc/43/60/28/495436028.db2.gz IBMQFOAYOJHYDW-KRWDZBQOSA-N 2 2 371.441 3.019 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000106217577 495436032 /nfs/dbraw/zinc/43/60/32/495436032.db2.gz IBMQFOAYOJHYDW-KRWDZBQOSA-N 2 2 371.441 3.019 10 5 FGBELP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640838 495961117 /nfs/dbraw/zinc/96/11/17/495961117.db2.gz GNDLNCHUWLPVBH-MRXNPFEDSA-N 2 2 356.426 3.193 10 5 FGBELP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640838 495961122 /nfs/dbraw/zinc/96/11/22/495961122.db2.gz GNDLNCHUWLPVBH-MRXNPFEDSA-N 2 2 356.426 3.193 10 5 FGBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000180566130 496047865 /nfs/dbraw/zinc/04/78/65/496047865.db2.gz KYRGDDJKLSWDRT-GOEBONIOSA-N 2 2 370.457 3.055 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258406 496865097 /nfs/dbraw/zinc/86/50/97/496865097.db2.gz GXZCSPSTHQEGQK-QGZVFWFLSA-N 2 2 374.510 3.356 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258406 496865099 /nfs/dbraw/zinc/86/50/99/496865099.db2.gz GXZCSPSTHQEGQK-QGZVFWFLSA-N 2 2 374.510 3.356 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258406 496865103 /nfs/dbraw/zinc/86/51/03/496865103.db2.gz GXZCSPSTHQEGQK-QGZVFWFLSA-N 2 2 374.510 3.356 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000195258406 496865107 /nfs/dbraw/zinc/86/51/07/496865107.db2.gz GXZCSPSTHQEGQK-QGZVFWFLSA-N 2 2 374.510 3.356 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491572 /nfs/dbraw/zinc/49/15/72/497491572.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491578 /nfs/dbraw/zinc/49/15/78/497491578.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491582 /nfs/dbraw/zinc/49/15/82/497491582.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190468270 497491586 /nfs/dbraw/zinc/49/15/86/497491586.db2.gz GUYRGIOYIAQVGU-HNNXBMFYSA-N 2 2 360.483 3.314 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000106217564 495436578 /nfs/dbraw/zinc/43/65/78/495436578.db2.gz STHPDQUPRCSCOZ-YOEHRIQHSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000106217564 495436580 /nfs/dbraw/zinc/43/65/80/495436580.db2.gz STHPDQUPRCSCOZ-YOEHRIQHSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699167 495652827 /nfs/dbraw/zinc/65/28/27/495652827.db2.gz UBTVNPIMDIPVMK-HNNXBMFYSA-N 2 2 374.441 3.078 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173699167 495652831 /nfs/dbraw/zinc/65/28/31/495652831.db2.gz UBTVNPIMDIPVMK-HNNXBMFYSA-N 2 2 374.441 3.078 10 5 FGBELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1cccc([N+](=O)[O-])c1 ZINC000180576801 496052384 /nfs/dbraw/zinc/05/23/84/496052384.db2.gz PCTOIKOWSNXNGM-IRXDYDNUSA-N 2 2 370.457 3.136 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000106217561 495436601 /nfs/dbraw/zinc/43/66/01/495436601.db2.gz STHPDQUPRCSCOZ-WMLDXEAASA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000106217561 495436602 /nfs/dbraw/zinc/43/66/02/495436602.db2.gz STHPDQUPRCSCOZ-WMLDXEAASA-N 2 2 371.441 3.018 10 5 FGBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652544 495972035 /nfs/dbraw/zinc/97/20/35/495972035.db2.gz URVFJFUOGYXLQD-HNNXBMFYSA-N 2 2 356.426 3.241 10 5 FGBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652544 495972038 /nfs/dbraw/zinc/97/20/38/495972038.db2.gz URVFJFUOGYXLQD-HNNXBMFYSA-N 2 2 356.426 3.241 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212158 495432640 /nfs/dbraw/zinc/43/26/40/495432640.db2.gz APELAJDVJYCVHV-KRWDZBQOSA-N 2 2 358.442 3.460 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212158 495432644 /nfs/dbraw/zinc/43/26/44/495432644.db2.gz APELAJDVJYCVHV-KRWDZBQOSA-N 2 2 358.442 3.460 10 5 FGBELP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000177034593 495892687 /nfs/dbraw/zinc/89/26/87/495892687.db2.gz MOUDHSOBAHLZSL-ZDUSSCGKSA-N 2 2 353.382 3.065 10 5 FGBELP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nc2c1 ZINC000177034593 495892693 /nfs/dbraw/zinc/89/26/93/495892693.db2.gz MOUDHSOBAHLZSL-ZDUSSCGKSA-N 2 2 353.382 3.065 10 5 FGBELP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211214 495908767 /nfs/dbraw/zinc/90/87/67/495908767.db2.gz UFGFPXKEXVNICH-NHCUHLMSSA-N 2 2 369.465 3.121 10 5 FGBELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000180566096 496045925 /nfs/dbraw/zinc/04/59/25/496045925.db2.gz KYRGDDJKLSWDRT-HOCLYGCPSA-N 2 2 370.457 3.055 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247816477 496919056 /nfs/dbraw/zinc/91/90/56/496919056.db2.gz WILDWVQPXAMHNH-HUUCEWRRSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247816477 496919059 /nfs/dbraw/zinc/91/90/59/496919059.db2.gz WILDWVQPXAMHNH-HUUCEWRRSA-N 2 2 371.441 3.018 10 5 FGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175252321 496309097 /nfs/dbraw/zinc/30/90/97/496309097.db2.gz QBANYQYCBGGFEA-HNNXBMFYSA-N 2 2 356.426 3.323 10 5 FGBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175252321 496309101 /nfs/dbraw/zinc/30/91/01/496309101.db2.gz QBANYQYCBGGFEA-HNNXBMFYSA-N 2 2 356.426 3.323 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190492286 497503068 /nfs/dbraw/zinc/50/30/68/497503068.db2.gz YGBSMXVKFLGXFD-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190492286 497503073 /nfs/dbraw/zinc/50/30/73/497503073.db2.gz YGBSMXVKFLGXFD-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190492286 497503077 /nfs/dbraw/zinc/50/30/77/497503077.db2.gz YGBSMXVKFLGXFD-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190492286 497503084 /nfs/dbraw/zinc/50/30/84/497503084.db2.gz YGBSMXVKFLGXFD-GOSISDBHSA-N 2 2 354.454 3.252 10 5 FGBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000180567693 496047078 /nfs/dbraw/zinc/04/70/78/496047078.db2.gz QNKKQUGXHDLBQK-LSDHHAIUSA-N 2 2 370.457 3.055 10 5 FGBELP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211177 495908780 /nfs/dbraw/zinc/90/87/80/495908780.db2.gz UFGFPXKEXVNICH-LEWJYISDSA-N 2 2 369.465 3.121 10 5 FGBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000180566112 496046152 /nfs/dbraw/zinc/04/61/52/496046152.db2.gz KYRGDDJKLSWDRT-GDBMZVCRSA-N 2 2 370.457 3.055 10 5 FGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182752846 495689457 /nfs/dbraw/zinc/68/94/57/495689457.db2.gz ATDROERQADRBRZ-KRWDZBQOSA-N 2 2 371.485 3.257 10 5 FGBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182752846 495689461 /nfs/dbraw/zinc/68/94/61/495689461.db2.gz ATDROERQADRBRZ-KRWDZBQOSA-N 2 2 371.485 3.257 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000247806266 496917140 /nfs/dbraw/zinc/91/71/40/496917140.db2.gz STHPDQUPRCSCOZ-PBHICJAKSA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000247806266 496917142 /nfs/dbraw/zinc/91/71/42/496917142.db2.gz STHPDQUPRCSCOZ-PBHICJAKSA-N 2 2 371.441 3.018 10 5 FGBELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000180567678 496047376 /nfs/dbraw/zinc/04/73/76/496047376.db2.gz QNKKQUGXHDLBQK-HUUCEWRRSA-N 2 2 370.457 3.055 10 5 FGBELP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000184219594 496290671 /nfs/dbraw/zinc/29/06/71/496290671.db2.gz JMTDJPLASGGCMV-CYBMUJFWSA-N 2 2 360.389 3.072 10 5 FGBELP COc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000184219594 496290675 /nfs/dbraw/zinc/29/06/75/496290675.db2.gz JMTDJPLASGGCMV-CYBMUJFWSA-N 2 2 360.389 3.072 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216946 495435477 /nfs/dbraw/zinc/43/54/77/495435477.db2.gz FMIQKHVARRQQBE-INIZCTEOSA-N 2 2 372.425 3.057 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216946 495435483 /nfs/dbraw/zinc/43/54/83/495435483.db2.gz FMIQKHVARRQQBE-INIZCTEOSA-N 2 2 372.425 3.057 10 5 FGBELP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000180211165 495908671 /nfs/dbraw/zinc/90/86/71/495908671.db2.gz UFGFPXKEXVNICH-SFTDATJTSA-N 2 2 369.465 3.121 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216943 495434933 /nfs/dbraw/zinc/43/49/33/495434933.db2.gz FMIQKHVARRQQBE-MRXNPFEDSA-N 2 2 372.425 3.057 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000106216943 495434934 /nfs/dbraw/zinc/43/49/34/495434934.db2.gz FMIQKHVARRQQBE-MRXNPFEDSA-N 2 2 372.425 3.057 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217735 495436456 /nfs/dbraw/zinc/43/64/56/495436456.db2.gz GSCGERWIIYTGMI-HNNXBMFYSA-N 2 2 371.441 3.019 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000106217735 495436461 /nfs/dbraw/zinc/43/64/61/495436461.db2.gz GSCGERWIIYTGMI-HNNXBMFYSA-N 2 2 371.441 3.019 10 5 FGBELP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792035 495949285 /nfs/dbraw/zinc/94/92/85/495949285.db2.gz LAGRPFCNAWRBHM-SFTDATJTSA-N 2 2 369.465 3.055 10 5 FGBELP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000151792035 495949290 /nfs/dbraw/zinc/94/92/90/495949290.db2.gz LAGRPFCNAWRBHM-SFTDATJTSA-N 2 2 369.465 3.055 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247816474 496918487 /nfs/dbraw/zinc/91/84/87/496918487.db2.gz WILDWVQPXAMHNH-CABCVRRESA-N 2 2 371.441 3.018 10 5 FGBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000247816474 496918492 /nfs/dbraw/zinc/91/84/92/496918492.db2.gz WILDWVQPXAMHNH-CABCVRRESA-N 2 2 371.441 3.018 10 5 FGBELP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301261456 498025862 /nfs/dbraw/zinc/02/58/62/498025862.db2.gz FJYNFDIRVVAHQJ-OAHLLOKOSA-N 2 2 355.442 3.138 10 5 FGBELP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301261456 498025869 /nfs/dbraw/zinc/02/58/69/498025869.db2.gz FJYNFDIRVVAHQJ-OAHLLOKOSA-N 2 2 355.442 3.138 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212154 495433319 /nfs/dbraw/zinc/43/33/19/495433319.db2.gz APELAJDVJYCVHV-QGZVFWFLSA-N 2 2 358.442 3.460 10 5 FGBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212154 495433320 /nfs/dbraw/zinc/43/33/20/495433320.db2.gz APELAJDVJYCVHV-QGZVFWFLSA-N 2 2 358.442 3.460 10 5 FGBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652548 495972533 /nfs/dbraw/zinc/97/25/33/495972533.db2.gz URVFJFUOGYXLQD-OAHLLOKOSA-N 2 2 356.426 3.241 10 5 FGBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652548 495972541 /nfs/dbraw/zinc/97/25/41/495972541.db2.gz URVFJFUOGYXLQD-OAHLLOKOSA-N 2 2 356.426 3.241 10 5 FGBELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)[nH+]1 ZINC000177034845 495893191 /nfs/dbraw/zinc/89/31/91/495893191.db2.gz LQDCMKYYDPTLOL-AWEZNQCLSA-N 2 2 367.409 3.373 10 5 FGBELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)[nH+]1 ZINC000177034845 495893197 /nfs/dbraw/zinc/89/31/97/495893197.db2.gz LQDCMKYYDPTLOL-AWEZNQCLSA-N 2 2 367.409 3.373 10 5 FGBELP Cc1cc(N2CCC([NH2+]C3CC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301704414 498231969 /nfs/dbraw/zinc/23/19/69/498231969.db2.gz FUZCYGZZXNKLHN-UHFFFAOYSA-N 2 2 353.426 3.081 10 5 FGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182752830 495689336 /nfs/dbraw/zinc/68/93/36/495689336.db2.gz ATDROERQADRBRZ-QGZVFWFLSA-N 2 2 371.485 3.257 10 5 FGBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182752830 495689338 /nfs/dbraw/zinc/68/93/38/495689338.db2.gz ATDROERQADRBRZ-QGZVFWFLSA-N 2 2 371.485 3.257 10 5 FGBELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465084 497490270 /nfs/dbraw/zinc/49/02/70/497490270.db2.gz UIPXRBXXFFLQGK-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465084 497490275 /nfs/dbraw/zinc/49/02/75/497490275.db2.gz UIPXRBXXFFLQGK-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465084 497490279 /nfs/dbraw/zinc/49/02/79/497490279.db2.gz UIPXRBXXFFLQGK-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190465084 497490283 /nfs/dbraw/zinc/49/02/83/497490283.db2.gz UIPXRBXXFFLQGK-MRXNPFEDSA-N 2 2 360.483 3.314 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190492313 497502445 /nfs/dbraw/zinc/50/24/45/497502445.db2.gz YGBSMXVKFLGXFD-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190492313 497502450 /nfs/dbraw/zinc/50/24/50/497502450.db2.gz YGBSMXVKFLGXFD-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190492313 497502456 /nfs/dbraw/zinc/50/24/56/497502456.db2.gz YGBSMXVKFLGXFD-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190492313 497502462 /nfs/dbraw/zinc/50/24/62/497502462.db2.gz YGBSMXVKFLGXFD-SFHVURJKSA-N 2 2 354.454 3.252 10 5 FGBELP