smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164719243 720214871 /nfs/dbraw/zinc/21/48/71/720214871.db2.gz PIOXEWCTJUHBTE-SFHVURJKSA-N 1 1 377.445 0.963 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164719243 720214880 /nfs/dbraw/zinc/21/48/80/720214880.db2.gz PIOXEWCTJUHBTE-SFHVURJKSA-N 1 1 377.445 0.963 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164720325 720216141 /nfs/dbraw/zinc/21/61/41/720216141.db2.gz YKDKECKUJAXMJA-SFHVURJKSA-N 1 1 377.445 0.963 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164720325 720216147 /nfs/dbraw/zinc/21/61/47/720216147.db2.gz YKDKECKUJAXMJA-SFHVURJKSA-N 1 1 377.445 0.963 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001164720703 720260015 /nfs/dbraw/zinc/26/00/15/720260015.db2.gz ZXGCMOHBNUFUKE-QGZVFWFLSA-N 1 1 378.433 0.237 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001164720703 720260019 /nfs/dbraw/zinc/26/00/19/720260019.db2.gz ZXGCMOHBNUFUKE-QGZVFWFLSA-N 1 1 378.433 0.237 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164720523 720279809 /nfs/dbraw/zinc/27/98/09/720279809.db2.gz AJJNTNZWNHPRIL-QGZVFWFLSA-N 1 1 378.433 0.237 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164720523 720279829 /nfs/dbraw/zinc/27/98/29/720279829.db2.gz AJJNTNZWNHPRIL-QGZVFWFLSA-N 1 1 378.433 0.237 20 5 GCBDMO O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164741773 720807614 /nfs/dbraw/zinc/80/76/14/720807614.db2.gz BXOWNMFOQPWXNQ-KGLIPLIRSA-N 1 1 398.427 0.204 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164864631 720890690 /nfs/dbraw/zinc/89/06/90/720890690.db2.gz WEFKGXMJQRBZOM-CZUORRHYSA-N 1 1 394.428 0.950 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164864633 720891081 /nfs/dbraw/zinc/89/10/81/720891081.db2.gz WEFKGXMJQRBZOM-XJKSGUPXSA-N 1 1 394.428 0.950 20 5 GCBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1 ZINC001164876066 721261823 /nfs/dbraw/zinc/26/18/23/721261823.db2.gz NKCXQHOQYCGEBI-UHFFFAOYSA-N 1 1 377.445 0.997 20 5 GCBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cccc([N+](=O)[O-])n3)CC2)C1 ZINC001164869005 721265002 /nfs/dbraw/zinc/26/50/02/721265002.db2.gz IWDJSPYMRVBYKU-UHFFFAOYSA-N 1 1 377.445 0.997 20 5 GCBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892834 721382777 /nfs/dbraw/zinc/38/27/77/721382777.db2.gz TVFPNKRSNMOVOP-HKUYNNGSSA-N 1 1 391.472 0.994 20 5 GCBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825934753 947378370 /nfs/dbraw/zinc/37/83/70/947378370.db2.gz RNMSKOICWPTFMV-ZDUSSCGKSA-N 1 1 387.404 0.678 20 5 GCBDMO CCn1cc(S(=O)(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000432291936 530189661 /nfs/dbraw/zinc/18/96/61/530189661.db2.gz PGDPXZHHVJXXKL-LBPRGKRZSA-N 1 1 375.451 0.590 20 5 GCBDMO NC(=O)[C@@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000566418574 530379329 /nfs/dbraw/zinc/37/93/29/530379329.db2.gz HEIPYAYVJLDVAG-GFCCVEGCSA-N 1 1 391.165 0.933 20 5 GCBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1Cl ZINC000265282506 530527261 /nfs/dbraw/zinc/52/72/61/530527261.db2.gz XRSSLBFQQNPLHK-UKRRQHHQSA-N 1 1 389.861 0.836 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000545160340 530653116 /nfs/dbraw/zinc/65/31/16/530653116.db2.gz QBPNZEBIVRCWSV-LBPRGKRZSA-N 1 1 394.247 0.702 20 5 GCBDMO CCn1cc(S(=O)(=O)N2CCC([N@@H+](C)CCCO)CC2)c([N+](=O)[O-])n1 ZINC000533174689 530900946 /nfs/dbraw/zinc/90/09/46/530900946.db2.gz APNBDPSVWILWIM-UHFFFAOYSA-N 1 1 375.451 0.279 20 5 GCBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275671508 530909532 /nfs/dbraw/zinc/90/95/32/530909532.db2.gz OLQYTIBVRRHAGM-UHFFFAOYSA-N 1 1 375.403 0.223 20 5 GCBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275671508 530909534 /nfs/dbraw/zinc/90/95/34/530909534.db2.gz OLQYTIBVRRHAGM-UHFFFAOYSA-N 1 1 375.403 0.223 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823651918 599568377 /nfs/dbraw/zinc/56/83/77/599568377.db2.gz RLVRIPVBCSKFMZ-INIZCTEOSA-N 1 1 384.400 0.997 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1-c1nn[nH]n1 ZINC000826500411 607589404 /nfs/dbraw/zinc/58/94/04/607589404.db2.gz XQSDBCSSCAQEAP-MNOVXSKESA-N 1 1 393.429 0.680 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1-c1nn[nH]n1 ZINC000826500411 607589406 /nfs/dbraw/zinc/58/94/06/607589406.db2.gz XQSDBCSSCAQEAP-MNOVXSKESA-N 1 1 393.429 0.680 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1-c1nn[nH]n1 ZINC000826500412 607589680 /nfs/dbraw/zinc/58/96/80/607589680.db2.gz XQSDBCSSCAQEAP-QWRGUYRKSA-N 1 1 393.429 0.680 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1-c1nn[nH]n1 ZINC000826500412 607589681 /nfs/dbraw/zinc/58/96/81/607589681.db2.gz XQSDBCSSCAQEAP-QWRGUYRKSA-N 1 1 393.429 0.680 20 5 GCBDMO C[NH+]1CCC(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826021676 607602921 /nfs/dbraw/zinc/60/29/21/607602921.db2.gz CNWRQKQOMBPCTH-UHFFFAOYSA-N 1 1 395.445 0.785 20 5 GCBDMO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825068561 607608484 /nfs/dbraw/zinc/60/84/84/607608484.db2.gz TZGLQLKFLAXNGM-JTQLQIEISA-N 1 1 383.434 0.784 20 5 GCBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825068561 607608485 /nfs/dbraw/zinc/60/84/85/607608485.db2.gz TZGLQLKFLAXNGM-JTQLQIEISA-N 1 1 383.434 0.784 20 5 GCBDMO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825391192 607656505 /nfs/dbraw/zinc/65/65/05/607656505.db2.gz WHMILLHCMOHEIQ-NSHDSACASA-N 1 1 395.445 0.737 20 5 GCBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825391192 607656507 /nfs/dbraw/zinc/65/65/07/607656507.db2.gz WHMILLHCMOHEIQ-NSHDSACASA-N 1 1 395.445 0.737 20 5 GCBDMO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825860015 607662268 /nfs/dbraw/zinc/66/22/68/607662268.db2.gz KFNVCCMJYWKHFN-UHFFFAOYSA-N 1 1 383.434 0.737 20 5 GCBDMO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825121715 607665786 /nfs/dbraw/zinc/66/57/86/607665786.db2.gz UQFMIOATCBQGPC-NSHDSACASA-N 1 1 395.445 0.928 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000822860320 606707385 /nfs/dbraw/zinc/70/73/85/606707385.db2.gz RGNPENRLUHUJLT-JTQLQIEISA-N 1 1 375.393 0.169 20 5 GCBDMO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000820767067 606736428 /nfs/dbraw/zinc/73/64/28/606736428.db2.gz FTAGTFZXUHPHDH-KOLCDFICSA-N 1 1 381.418 0.346 20 5 GCBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821622311 607125972 /nfs/dbraw/zinc/12/59/72/607125972.db2.gz YTWXVLSBMIUPIK-VIFPVBQESA-N 1 1 388.417 0.864 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826390423 607838471 /nfs/dbraw/zinc/83/84/71/607838471.db2.gz ZHLOYFFZGBTRBG-HNNXBMFYSA-N 1 1 386.416 0.693 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000826389519 608436220 /nfs/dbraw/zinc/43/62/20/608436220.db2.gz AELLZGXWUSXQOH-LBPRGKRZSA-N 1 1 387.404 0.088 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839430 640762259 /nfs/dbraw/zinc/76/22/59/640762259.db2.gz TWTUJVBCILLYKR-GFCCVEGCSA-N 1 1 390.487 0.877 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839430 640762263 /nfs/dbraw/zinc/76/22/63/640762263.db2.gz TWTUJVBCILLYKR-GFCCVEGCSA-N 1 1 390.487 0.877 20 5 GCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768863447 640763426 /nfs/dbraw/zinc/76/34/26/640763426.db2.gz VYTUIIZMLORANO-GFCCVEGCSA-N 1 1 388.471 0.583 20 5 GCBDMO COc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000106267797 1192363036 /nfs/dbraw/zinc/36/30/36/1192363036.db2.gz XXPUULZYPQAGNG-UHFFFAOYSA-N 1 1 386.474 0.909 20 5 GCBDMO Cc1c(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000585690255 1192370657 /nfs/dbraw/zinc/37/06/57/1192370657.db2.gz NOCBTSHQICOCOS-MRXNPFEDSA-N 1 1 392.456 0.992 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279006234 1192434294 /nfs/dbraw/zinc/43/42/94/1192434294.db2.gz DLDVAQSTEJLQDP-KRWDZBQOSA-N 1 1 375.385 0.906 20 5 GCBDMO COCC(COC)[NH+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570908023 1192438638 /nfs/dbraw/zinc/43/86/38/1192438638.db2.gz ODQHDGCNRHWARB-UHFFFAOYSA-N 1 1 396.444 0.962 20 5 GCBDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279585782 1192559912 /nfs/dbraw/zinc/55/99/12/1192559912.db2.gz CXWDYYAOSSYXSU-QRTARXTBSA-N 1 1 395.439 0.430 20 5 GCBDMO CCc1ccc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000573487842 1192904941 /nfs/dbraw/zinc/90/49/41/1192904941.db2.gz HKVBLKHHKRDDTM-CQSZACIVSA-N 1 1 396.469 0.742 20 5 GCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274514176 1184083471 /nfs/dbraw/zinc/08/34/71/1184083471.db2.gz YJASUHGDAKRESG-OAHLLOKOSA-N 1 1 391.472 0.857 20 5 GCBDMO Cc1c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274973001 1184443544 /nfs/dbraw/zinc/44/35/44/1184443544.db2.gz IOPJIHDDRRQAJV-LBPRGKRZSA-N 1 1 391.384 0.848 20 5 GCBDMO CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)CC1 ZINC000888997534 1184496835 /nfs/dbraw/zinc/49/68/35/1184496835.db2.gz GCDOBHPSKRNJDJ-UHFFFAOYSA-N 1 1 391.428 0.026 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275424418 1184663251 /nfs/dbraw/zinc/66/32/51/1184663251.db2.gz DHRRGBZEVPYRAX-GFCCVEGCSA-N 1 1 386.474 0.784 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275458353 1184675737 /nfs/dbraw/zinc/67/57/37/1184675737.db2.gz PDIBOKMZCWRDNJ-AWEZNQCLSA-N 1 1 392.456 0.937 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275528237 1184699217 /nfs/dbraw/zinc/69/92/17/1184699217.db2.gz FHKLDNFQASOKMX-AWEZNQCLSA-N 1 1 392.456 0.937 20 5 GCBDMO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599622472 1184777399 /nfs/dbraw/zinc/77/73/99/1184777399.db2.gz KGHIZZDLAIYEMU-MRXNPFEDSA-N 1 1 394.428 0.005 20 5 GCBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H](O)CN1CCOCC1 ZINC000275653372 1184866174 /nfs/dbraw/zinc/86/61/74/1184866174.db2.gz UKHGCOWEBYGIIG-CQSZACIVSA-N 1 1 384.408 0.687 20 5 GCBDMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001648908374 1184978240 /nfs/dbraw/zinc/97/82/40/1184978240.db2.gz GHUBKGCPUYJOGA-APPDUMDISA-N 1 1 379.369 0.279 20 5 GCBDMO O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001648908374 1184978244 /nfs/dbraw/zinc/97/82/44/1184978244.db2.gz GHUBKGCPUYJOGA-APPDUMDISA-N 1 1 379.369 0.279 20 5 GCBDMO NC(=O)c1ccc(SCC(=O)NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275812641 1185136863 /nfs/dbraw/zinc/13/68/63/1185136863.db2.gz JATKDMKKZOEKCK-UHFFFAOYSA-N 1 1 382.442 0.624 20 5 GCBDMO NC(=O)c1ccc(SCC(=O)NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275812641 1185136866 /nfs/dbraw/zinc/13/68/66/1185136866.db2.gz JATKDMKKZOEKCK-UHFFFAOYSA-N 1 1 382.442 0.624 20 5 GCBDMO COc1cc(OCC(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000261655901 1185224473 /nfs/dbraw/zinc/22/44/73/1185224473.db2.gz DSVVSIIZKYKGAC-CQSZACIVSA-N 1 1 375.385 0.889 20 5 GCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261741567 1185248959 /nfs/dbraw/zinc/24/89/59/1185248959.db2.gz NXCLQJMPSIBSGQ-OAHLLOKOSA-N 1 1 386.412 0.621 20 5 GCBDMO NC(=O)c1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000261784972 1185258032 /nfs/dbraw/zinc/25/80/32/1185258032.db2.gz HTDOVQTXYMZSEZ-CZUORRHYSA-N 1 1 389.456 0.774 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000274221994 1185310726 /nfs/dbraw/zinc/31/07/26/1185310726.db2.gz CPLGICFDEXKNOQ-UHFFFAOYSA-N 1 1 391.428 0.477 20 5 GCBDMO COC(=O)COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262113451 1185372561 /nfs/dbraw/zinc/37/25/61/1185372561.db2.gz KTXVVNOFZYLWTF-HNNXBMFYSA-N 1 1 378.429 0.626 20 5 GCBDMO COc1ccc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000275996879 1185397328 /nfs/dbraw/zinc/39/73/28/1185397328.db2.gz VRVVPMIKDBOIHA-UHFFFAOYSA-N 1 1 376.373 0.658 20 5 GCBDMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000477068840 1185600304 /nfs/dbraw/zinc/60/03/04/1185600304.db2.gz PUUJKDXHZQDVQG-ZDUSSCGKSA-N 1 1 387.462 0.432 20 5 GCBDMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000477068840 1185600309 /nfs/dbraw/zinc/60/03/09/1185600309.db2.gz PUUJKDXHZQDVQG-ZDUSSCGKSA-N 1 1 387.462 0.432 20 5 GCBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)CO ZINC000276244481 1185706309 /nfs/dbraw/zinc/70/63/09/1185706309.db2.gz VDUSVGXQMCVCAL-GJZGRUSLSA-N 1 1 380.445 0.307 20 5 GCBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610733309 1185837007 /nfs/dbraw/zinc/83/70/07/1185837007.db2.gz MMSDYOFKOJWFKJ-MRXNPFEDSA-N 1 1 376.413 0.648 20 5 GCBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000276823733 1186092416 /nfs/dbraw/zinc/09/24/16/1186092416.db2.gz NRSLKUARULDPSR-UHFFFAOYSA-N 1 1 390.418 0.976 20 5 GCBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000276823733 1186092421 /nfs/dbraw/zinc/09/24/21/1186092421.db2.gz NRSLKUARULDPSR-UHFFFAOYSA-N 1 1 390.418 0.976 20 5 GCBDMO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535710626 1186203344 /nfs/dbraw/zinc/20/33/44/1186203344.db2.gz UXAFSQSLPAMJCO-UONOGXRCSA-N 1 1 383.474 0.636 20 5 GCBDMO CCOc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000276986011 1186216490 /nfs/dbraw/zinc/21/64/90/1186216490.db2.gz ZDRULXJMBRUICT-HOCLYGCPSA-N 1 1 399.469 0.581 20 5 GCBDMO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000277026140 1186230231 /nfs/dbraw/zinc/23/02/31/1186230231.db2.gz IDJYNQQNRCUHOO-CYBMUJFWSA-N 1 1 384.458 0.830 20 5 GCBDMO Cc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000277026140 1186230236 /nfs/dbraw/zinc/23/02/36/1186230236.db2.gz IDJYNQQNRCUHOO-CYBMUJFWSA-N 1 1 384.458 0.830 20 5 GCBDMO C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610900558 1186254576 /nfs/dbraw/zinc/25/45/76/1186254576.db2.gz AMKOEWXAMWEDEY-MFKMUULPSA-N 1 1 382.442 0.621 20 5 GCBDMO C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610900558 1186254584 /nfs/dbraw/zinc/25/45/84/1186254584.db2.gz AMKOEWXAMWEDEY-MFKMUULPSA-N 1 1 382.442 0.621 20 5 GCBDMO C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610900556 1186254901 /nfs/dbraw/zinc/25/49/01/1186254901.db2.gz AMKOEWXAMWEDEY-GWCFXTLKSA-N 1 1 382.442 0.621 20 5 GCBDMO C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610900556 1186254906 /nfs/dbraw/zinc/25/49/06/1186254906.db2.gz AMKOEWXAMWEDEY-GWCFXTLKSA-N 1 1 382.442 0.621 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000610901014 1186255022 /nfs/dbraw/zinc/25/50/22/1186255022.db2.gz WMMRYYKCOZMDDY-IAQYHMDHSA-N 1 1 378.385 0.156 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000610901014 1186255027 /nfs/dbraw/zinc/25/50/27/1186255027.db2.gz WMMRYYKCOZMDDY-IAQYHMDHSA-N 1 1 378.385 0.156 20 5 GCBDMO COc1ccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000262493347 1186301645 /nfs/dbraw/zinc/30/16/45/1186301645.db2.gz GRVKRSPOEIEEGK-LBPRGKRZSA-N 1 1 398.441 0.188 20 5 GCBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262562095 1186305397 /nfs/dbraw/zinc/30/53/97/1186305397.db2.gz YYUANNXUYSEPIU-CQSZACIVSA-N 1 1 396.469 0.797 20 5 GCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383491 1186325416 /nfs/dbraw/zinc/32/54/16/1186325416.db2.gz QDYYMSJFTLOUFA-OAHLLOKOSA-N 1 1 375.429 0.995 20 5 GCBDMO Cn1cc([C@@H]2C[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]2CO)cn1 ZINC000277626886 1186541299 /nfs/dbraw/zinc/54/12/99/1186541299.db2.gz AXVGLIHBSYBUHV-RDJZCZTQSA-N 1 1 385.424 0.925 20 5 GCBDMO Cn1cc([C@@H]2C[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]2CO)cn1 ZINC000277626886 1186541304 /nfs/dbraw/zinc/54/13/04/1186541304.db2.gz AXVGLIHBSYBUHV-RDJZCZTQSA-N 1 1 385.424 0.925 20 5 GCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001648917232 1186639624 /nfs/dbraw/zinc/63/96/24/1186639624.db2.gz CRDRTOBIAUUESL-MAZHCROVSA-N 1 1 396.469 0.720 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000611896606 1186660732 /nfs/dbraw/zinc/66/07/32/1186660732.db2.gz WOMJRCKQKSUOHI-ZFWWWQNUSA-N 1 1 392.412 0.600 20 5 GCBDMO C[C@@H]1C[N@@H+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278472324 1186955129 /nfs/dbraw/zinc/95/51/29/1186955129.db2.gz JXNBBPCDJWLGAK-CQSZACIVSA-N 1 1 378.429 0.942 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000411761620 1187511485 /nfs/dbraw/zinc/51/14/85/1187511485.db2.gz SCEYNWOKDSYEFH-ZDUSSCGKSA-N 1 1 392.412 0.713 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000411761620 1187511487 /nfs/dbraw/zinc/51/14/87/1187511487.db2.gz SCEYNWOKDSYEFH-ZDUSSCGKSA-N 1 1 392.412 0.713 20 5 GCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000365339269 1187515820 /nfs/dbraw/zinc/51/58/20/1187515820.db2.gz KMMMPYYWEVOGFI-INIZCTEOSA-N 1 1 375.429 0.772 20 5 GCBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000612566746 1187526783 /nfs/dbraw/zinc/52/67/83/1187526783.db2.gz HZJQLZAJESHBLQ-UHFFFAOYSA-N 1 1 394.428 0.848 20 5 GCBDMO CC(C)(CNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000376034958 1187555306 /nfs/dbraw/zinc/55/53/06/1187555306.db2.gz OPGLISUMCJODAP-UHFFFAOYSA-N 1 1 394.476 0.655 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262829 1187732931 /nfs/dbraw/zinc/73/29/31/1187732931.db2.gz BACDBJNOGXCUFF-LSDHHAIUSA-N 1 1 376.413 0.612 20 5 GCBDMO C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174719610 1187762402 /nfs/dbraw/zinc/76/24/02/1187762402.db2.gz LFPGMNBWZADCKF-RDJZCZTQSA-N 1 1 394.476 0.171 20 5 GCBDMO CC[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000472601716 1187863366 /nfs/dbraw/zinc/86/33/66/1187863366.db2.gz SSKDHRMTRWASIS-FZMZJTMJSA-N 1 1 382.392 0.976 20 5 GCBDMO CC[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000472601716 1187863367 /nfs/dbraw/zinc/86/33/67/1187863367.db2.gz SSKDHRMTRWASIS-FZMZJTMJSA-N 1 1 382.392 0.976 20 5 GCBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000189443796 1187942018 /nfs/dbraw/zinc/94/20/18/1187942018.db2.gz YASOGWSAYRGZDD-ZDUSSCGKSA-N 1 1 385.490 0.928 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NCCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000290324923 1188107159 /nfs/dbraw/zinc/10/71/59/1188107159.db2.gz AAZYFPNYMUVEHA-UHFFFAOYSA-N 1 1 379.461 0.633 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NCCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000290324923 1188107163 /nfs/dbraw/zinc/10/71/63/1188107163.db2.gz AAZYFPNYMUVEHA-UHFFFAOYSA-N 1 1 379.461 0.633 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000415602999 1188120253 /nfs/dbraw/zinc/12/02/53/1188120253.db2.gz LLGAUNPBEJWYRY-CQSZACIVSA-N 1 1 389.412 0.265 20 5 GCBDMO COCC(COC)[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000412433680 1189604270 /nfs/dbraw/zinc/60/42/70/1189604270.db2.gz DIPQERWYTYNZQV-UHFFFAOYSA-N 1 1 380.445 0.837 20 5 GCBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053218985 1189624652 /nfs/dbraw/zinc/62/46/52/1189624652.db2.gz DCNBVAPDLLFMJM-CQSZACIVSA-N 1 1 384.458 0.988 20 5 GCBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053218985 1189624655 /nfs/dbraw/zinc/62/46/55/1189624655.db2.gz DCNBVAPDLLFMJM-CQSZACIVSA-N 1 1 384.458 0.988 20 5 GCBDMO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482621 1189669642 /nfs/dbraw/zinc/66/96/42/1189669642.db2.gz VQHAPFLHBMIIHJ-PBHICJAKSA-N 1 1 380.401 0.301 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136679 1193723927 /nfs/dbraw/zinc/72/39/27/1193723927.db2.gz YMTVFJQXBRTQJM-UHFFFAOYSA-N 1 1 387.400 0.116 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000419353072 1193852058 /nfs/dbraw/zinc/85/20/58/1193852058.db2.gz JFZVOHZMKFVLQV-HNNXBMFYSA-N 1 1 392.412 0.985 20 5 GCBDMO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000266020546 1193919528 /nfs/dbraw/zinc/91/95/28/1193919528.db2.gz XCDHKASUULFQON-GFCCVEGCSA-N 1 1 399.473 0.597 20 5 GCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000509919056 1193925277 /nfs/dbraw/zinc/92/52/77/1193925277.db2.gz WOSSFDOQGDLANU-ZDUSSCGKSA-N 1 1 392.412 0.547 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000509921897 1193925879 /nfs/dbraw/zinc/92/58/79/1193925879.db2.gz CTRJERRBBWPANF-UONOGXRCSA-N 1 1 378.429 0.940 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000502025965 1194257027 /nfs/dbraw/zinc/25/70/27/1194257027.db2.gz GQQPIKOVPCJZFJ-VXGBXAGGSA-N 1 1 380.401 0.649 20 5 GCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000366709184 1194269062 /nfs/dbraw/zinc/26/90/62/1194269062.db2.gz IUMGOMDONOBYTC-INIZCTEOSA-N 1 1 396.469 0.663 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000413500276 1194276083 /nfs/dbraw/zinc/27/60/83/1194276083.db2.gz OBBYVTMWDZJPSP-LLVKDONJSA-N 1 1 386.430 0.044 20 5 GCBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972717 1194280022 /nfs/dbraw/zinc/28/00/22/1194280022.db2.gz LALCNMAEWCCGMR-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413893807 1194357326 /nfs/dbraw/zinc/35/73/26/1194357326.db2.gz BMAAAILVPHCTBU-QWHCGFSZSA-N 1 1 396.448 0.390 20 5 GCBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502815574 1194358965 /nfs/dbraw/zinc/35/89/65/1194358965.db2.gz VLRRIGROTCIMNR-CYBMUJFWSA-N 1 1 399.473 0.609 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413916649 1194360309 /nfs/dbraw/zinc/36/03/09/1194360309.db2.gz JBRFGXUQZLTIPM-JSGCOSHPSA-N 1 1 392.412 0.276 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@H+](C)C1 ZINC000413919551 1194360496 /nfs/dbraw/zinc/36/04/96/1194360496.db2.gz MQADUUZQFDGRJE-GFCCVEGCSA-N 1 1 388.384 0.352 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+](C)C1 ZINC000413919551 1194360500 /nfs/dbraw/zinc/36/05/00/1194360500.db2.gz MQADUUZQFDGRJE-GFCCVEGCSA-N 1 1 388.384 0.352 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000413923594 1194362854 /nfs/dbraw/zinc/36/28/54/1194362854.db2.gz RJSONZHHKHJTKN-CQSZACIVSA-N 1 1 392.412 0.196 20 5 GCBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421971336 1194376230 /nfs/dbraw/zinc/37/62/30/1194376230.db2.gz APJSXLUVMIVPIH-WFASDCNBSA-N 1 1 384.458 0.529 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422938351 1194709944 /nfs/dbraw/zinc/70/99/44/1194709944.db2.gz PLBNRGYVYLGIOK-CVEARBPZSA-N 1 1 384.458 0.230 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422984778 1194715609 /nfs/dbraw/zinc/71/56/09/1194715609.db2.gz ZDZZNAMZLHCFCJ-GDBMZVCRSA-N 1 1 384.458 0.230 20 5 GCBDMO [NH3+]C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN(Cc2ccccc2)CC1 ZINC000424016416 1194799108 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ZINC001169024928 1201931473 /nfs/dbraw/zinc/93/14/73/1201931473.db2.gz HVQYNVVJBRYILZ-VYDXJSESSA-N 1 1 399.455 0.980 20 5 GCBDMO Cn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001169025448 1201931580 /nfs/dbraw/zinc/93/15/80/1201931580.db2.gz JAUCMGDSEWAJQB-USACIQFYSA-N 1 1 377.445 0.827 20 5 GCBDMO C[N@@H+]1CCc2c(NCCN3CCN(S(C)(=O)=O)CC3)ccc([N+](=O)[O-])c2C1 ZINC001169345051 1201942495 /nfs/dbraw/zinc/94/24/95/1201942495.db2.gz NZVYZVOPIYHCJG-UHFFFAOYSA-N 1 1 397.501 0.572 20 5 GCBDMO C[N@H+]1CCc2c(NCCN3CCN(S(C)(=O)=O)CC3)ccc([N+](=O)[O-])c2C1 ZINC001169345051 1201942496 /nfs/dbraw/zinc/94/24/96/1201942496.db2.gz NZVYZVOPIYHCJG-UHFFFAOYSA-N 1 1 397.501 0.572 20 5 GCBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000768761065 1202030706 /nfs/dbraw/zinc/03/07/06/1202030706.db2.gz ZDSFSYBZIFPXAZ-UHFFFAOYSA-N 1 1 384.356 0.435 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000771759117 1202160808 /nfs/dbraw/zinc/16/08/08/1202160808.db2.gz KXYQQGUJOVUPPB-ZBEGNZNMSA-N 1 1 381.385 0.630 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000771759117 1202160810 /nfs/dbraw/zinc/16/08/10/1202160810.db2.gz KXYQQGUJOVUPPB-ZBEGNZNMSA-N 1 1 381.385 0.630 20 5 GCBDMO O=C1OCCN1c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000788876241 1205431342 /nfs/dbraw/zinc/43/13/42/1205431342.db2.gz RSYCWVFVOKZFBI-UHFFFAOYSA-N 1 1 384.414 0.926 20 5 GCBDMO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000790871071 1205471674 /nfs/dbraw/zinc/47/16/74/1205471674.db2.gz LQRHASCCSMGUFN-CQSZACIVSA-N 1 1 388.402 0.465 20 5 GCBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CC[C@H](CC(N)=O)C2)C1=O ZINC000808230465 1205603904 /nfs/dbraw/zinc/60/39/04/1205603904.db2.gz ZLJMFCQVAWWWKK-DIFFPNOSSA-N 1 1 375.385 0.517 20 5 GCBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CC[C@H](CC(N)=O)C2)C1=O ZINC000808230465 1205603905 /nfs/dbraw/zinc/60/39/05/1205603905.db2.gz ZLJMFCQVAWWWKK-DIFFPNOSSA-N 1 1 375.385 0.517 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000808270080 1205604459 /nfs/dbraw/zinc/60/44/59/1205604459.db2.gz RJFLPWSXSWUOIO-ZDUSSCGKSA-N 1 1 379.417 0.086 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1=O ZINC000808269612 1205604563 /nfs/dbraw/zinc/60/45/63/1205604563.db2.gz KRLOLGYWOJHLEX-LBPRGKRZSA-N 1 1 379.417 0.086 20 5 GCBDMO C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001134144497 1205688261 /nfs/dbraw/zinc/68/82/61/1205688261.db2.gz PJGSYZAPRMUXSN-DZGCQCFKSA-N 1 1 382.442 0.568 20 5 GCBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001134144498 1205688279 /nfs/dbraw/zinc/68/82/79/1205688279.db2.gz PJGSYZAPRMUXSN-HIFRSBDPSA-N 1 1 382.442 0.568 20 5 GCBDMO O=C1CN(C2C[NH+](C3CCN(c4c(F)cc([N+](=O)[O-])cc4F)CC3)C2)CCN1 ZINC001173018622 1205718286 /nfs/dbraw/zinc/71/82/86/1205718286.db2.gz XMSUMHJJIDGAMS-UHFFFAOYSA-N 1 1 395.410 0.958 20 5 GCBDMO COc1ccc(NC(=O)CC[N@@H+](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001175783476 1205741077 /nfs/dbraw/zinc/74/10/77/1205741077.db2.gz SMZACDHKOMDTTF-UHFFFAOYSA-N 1 1 380.401 0.898 20 5 GCBDMO C[C@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC001175890763 1205741640 /nfs/dbraw/zinc/74/16/40/1205741640.db2.gz PQZQZROLBCROBF-LBPRGKRZSA-N 1 1 384.458 0.786 20 5 GCBDMO O=Cc1ccc(OCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c([N+](=O)[O-])c1 ZINC001181413397 1205842873 /nfs/dbraw/zinc/84/28/73/1205842873.db2.gz NRGGXGGWKBOXMZ-KBXCAEBGSA-N 1 1 393.396 0.128 20 5 GCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164684426 719702935 /nfs/dbraw/zinc/70/29/35/719702935.db2.gz PNPADZPQEVILDI-UHFFFAOYSA-N 1 1 391.428 0.957 20 5 GCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2 ZINC001164685491 719717681 /nfs/dbraw/zinc/71/76/81/719717681.db2.gz LQWAARVAFDETPJ-UHFFFAOYSA-N 1 1 378.433 0.883 20 5 GCBDMO O=[N+]([O-])c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164741768 720807286 /nfs/dbraw/zinc/80/72/86/720807286.db2.gz BXOWNMFOQPWXNQ-KBPBESRZSA-N 1 1 398.427 0.204 20 5 GCBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3N)CC2)C1 ZINC001164872746 721283417 /nfs/dbraw/zinc/28/34/17/721283417.db2.gz FKANBRSMOJNERV-UHFFFAOYSA-N 1 1 392.460 0.579 20 5 GCBDMO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599108942 530160202 /nfs/dbraw/zinc/16/02/02/530160202.db2.gz WTDCPVGWABXIFS-SECBINFHSA-N 1 1 394.247 0.932 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264608763 530373131 /nfs/dbraw/zinc/37/31/31/530373131.db2.gz OXFHQQBSVKWZKQ-GFCCVEGCSA-N 1 1 390.849 0.866 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264608763 530373133 /nfs/dbraw/zinc/37/31/33/530373133.db2.gz OXFHQQBSVKWZKQ-GFCCVEGCSA-N 1 1 390.849 0.866 20 5 GCBDMO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000594844970 530887651 /nfs/dbraw/zinc/88/76/51/530887651.db2.gz WPMSDARAXZPCDC-UHFFFAOYSA-N 1 1 378.476 0.605 20 5 GCBDMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000025326903 210480574 /nfs/dbraw/zinc/48/05/74/210480574.db2.gz NAIFRHHIWGOYTH-UHFFFAOYSA-N 1 1 396.469 0.770 20 5 GCBDMO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000824429832 607606803 /nfs/dbraw/zinc/60/68/03/607606803.db2.gz ZEXCUSCQJORZOB-VIFPVBQESA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[N@@H+](C)C1CC1 ZINC000824429832 607606804 /nfs/dbraw/zinc/60/68/04/607606804.db2.gz ZEXCUSCQJORZOB-VIFPVBQESA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824886408 607645098 /nfs/dbraw/zinc/64/50/98/607645098.db2.gz YMMDJWCULYBFGU-QWRGUYRKSA-N 1 1 395.445 0.878 20 5 GCBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@H+]1C ZINC000824886408 607645100 /nfs/dbraw/zinc/64/51/00/607645100.db2.gz YMMDJWCULYBFGU-QWRGUYRKSA-N 1 1 395.445 0.878 20 5 GCBDMO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825391191 607656350 /nfs/dbraw/zinc/65/63/50/607656350.db2.gz WHMILLHCMOHEIQ-LLVKDONJSA-N 1 1 395.445 0.737 20 5 GCBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825391191 607656352 /nfs/dbraw/zinc/65/63/52/607656352.db2.gz WHMILLHCMOHEIQ-LLVKDONJSA-N 1 1 395.445 0.737 20 5 GCBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750943 606734268 /nfs/dbraw/zinc/73/42/68/606734268.db2.gz DOHGJNSWTFHZRM-WDEREUQCSA-N 1 1 395.445 0.736 20 5 GCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750943 606734270 /nfs/dbraw/zinc/73/42/70/606734270.db2.gz DOHGJNSWTFHZRM-WDEREUQCSA-N 1 1 395.445 0.736 20 5 GCBDMO C[N@@H+](CCO)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000899736615 639273666 /nfs/dbraw/zinc/27/36/66/639273666.db2.gz MUBFYEMBQZAXEE-UHFFFAOYSA-N 1 1 393.181 0.853 20 5 GCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842858394 642354538 /nfs/dbraw/zinc/35/45/38/642354538.db2.gz CACKEBUPKHNXMP-NSHDSACASA-N 1 1 377.806 0.774 20 5 GCBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)ccc1Br ZINC000858628164 642962918 /nfs/dbraw/zinc/96/29/18/642962918.db2.gz KSHUEIMDYGQCIF-QMMMGPOBSA-N 1 1 380.220 0.624 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000104732609 1192186362 /nfs/dbraw/zinc/18/63/62/1192186362.db2.gz LARIQANQYHGGGM-ZDUSSCGKSA-N 1 1 384.458 0.804 20 5 GCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000569047895 1192357767 /nfs/dbraw/zinc/35/77/67/1192357767.db2.gz NOQUMMYCPOWHKV-CQSZACIVSA-N 1 1 395.460 0.792 20 5 GCBDMO CN(CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)CC[NH+](C)C ZINC000569047895 1192357773 /nfs/dbraw/zinc/35/77/73/1192357773.db2.gz NOQUMMYCPOWHKV-CQSZACIVSA-N 1 1 395.460 0.792 20 5 GCBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000585725615 1192399016 /nfs/dbraw/zinc/39/90/16/1192399016.db2.gz YSEMJUVPZVLILR-ZFWWWQNUSA-N 1 1 390.444 0.698 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279101873 1192467048 /nfs/dbraw/zinc/46/70/48/1192467048.db2.gz QZRQFLYGGUVZPB-KRWDZBQOSA-N 1 1 391.384 0.606 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000432528355 1192523628 /nfs/dbraw/zinc/52/36/28/1192523628.db2.gz VGCFFIMRLOWLBJ-UHFFFAOYSA-N 1 1 380.445 0.723 20 5 GCBDMO CN(C)c1cc(F)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000279342911 1192526322 /nfs/dbraw/zinc/52/63/22/1192526322.db2.gz DRMCVTHCKVOHLM-UHFFFAOYSA-N 1 1 381.408 0.694 20 5 GCBDMO Nc1c(C(=O)NCCCCN2CC[NH+](CCO)CC2)cc(F)cc1[N+](=O)[O-] ZINC000432532270 1192536942 /nfs/dbraw/zinc/53/69/42/1192536942.db2.gz VQXRPGGDRMPTEG-UHFFFAOYSA-N 1 1 383.424 0.436 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)C1 ZINC000153843975 1184084232 /nfs/dbraw/zinc/08/42/32/1184084232.db2.gz GIMMESIDIXMRNL-AWEZNQCLSA-N 1 1 386.412 0.945 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C1 ZINC000153843975 1184084238 /nfs/dbraw/zinc/08/42/38/1184084238.db2.gz GIMMESIDIXMRNL-AWEZNQCLSA-N 1 1 386.412 0.945 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C1 ZINC000153843975 1184084245 /nfs/dbraw/zinc/08/42/45/1184084245.db2.gz GIMMESIDIXMRNL-AWEZNQCLSA-N 1 1 386.412 0.945 20 5 GCBDMO COCCC[N@@H+](C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000610208123 1184278279 /nfs/dbraw/zinc/27/82/79/1184278279.db2.gz FDJGGODMNPXNLN-UHFFFAOYSA-N 1 1 380.401 0.405 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000127082755 1184374718 /nfs/dbraw/zinc/37/47/18/1184374718.db2.gz SZRZKCOAYMAFDL-IAGOWNOFSA-N 1 1 386.408 0.508 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275016842 1184456174 /nfs/dbraw/zinc/45/61/74/1184456174.db2.gz KWCRWJFSWVKJKI-LBPRGKRZSA-N 1 1 380.401 0.000 20 5 GCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000458008098 1184463615 /nfs/dbraw/zinc/46/36/15/1184463615.db2.gz DWPWFEAHGBHFQB-DOMZBBRYSA-N 1 1 397.457 0.219 20 5 GCBDMO CCc1[nH]nc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110740 1184517905 /nfs/dbraw/zinc/51/79/05/1184517905.db2.gz KNJCNEQBSPZXHV-LLVKDONJSA-N 1 1 387.462 0.461 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275424422 1184663132 /nfs/dbraw/zinc/66/31/32/1184663132.db2.gz DHRRGBZEVPYRAX-LBPRGKRZSA-N 1 1 386.474 0.784 20 5 GCBDMO COc1cc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c([N+](=O)[O-])cc1F ZINC001648908706 1184978810 /nfs/dbraw/zinc/97/88/10/1184978810.db2.gz REDASYGKZXGNOD-APPDUMDISA-N 1 1 383.376 0.698 20 5 GCBDMO COc1cc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c([N+](=O)[O-])cc1F ZINC001648908706 1184978813 /nfs/dbraw/zinc/97/88/13/1184978813.db2.gz REDASYGKZXGNOD-APPDUMDISA-N 1 1 383.376 0.698 20 5 GCBDMO Nc1nccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000548059446 1185055207 /nfs/dbraw/zinc/05/52/07/1185055207.db2.gz YBJBHYORBDIIFD-UHFFFAOYSA-N 1 1 398.423 0.646 20 5 GCBDMO C[C@@](O)(CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000610403105 1185122734 /nfs/dbraw/zinc/12/27/34/1185122734.db2.gz QLHUBWGNIFDMBU-QGZVFWFLSA-N 1 1 382.417 0.356 20 5 GCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000119301449 1185314636 /nfs/dbraw/zinc/31/46/36/1185314636.db2.gz LILXPVWGAYTHHW-WBVHZDCISA-N 1 1 388.428 0.726 20 5 GCBDMO COCC[N@H+]1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048426847 1185649648 /nfs/dbraw/zinc/64/96/48/1185649648.db2.gz SJROQLGOCGMRRH-AWEZNQCLSA-N 1 1 378.429 0.894 20 5 GCBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000276301837 1185724675 /nfs/dbraw/zinc/72/46/75/1185724675.db2.gz DBDWFDHBHRVBPT-LLVKDONJSA-N 1 1 387.414 0.380 20 5 GCBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000276301837 1185724679 /nfs/dbraw/zinc/72/46/79/1185724679.db2.gz DBDWFDHBHRVBPT-LLVKDONJSA-N 1 1 387.414 0.380 20 5 GCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274559595 1185733874 /nfs/dbraw/zinc/73/38/74/1185733874.db2.gz ZUJMOTROXWVART-UHFFFAOYSA-N 1 1 399.473 0.609 20 5 GCBDMO C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000247474211 1186123158 /nfs/dbraw/zinc/12/31/58/1186123158.db2.gz JNBFZWKBOYWNMU-RVKKMQEKSA-N 1 1 381.477 0.973 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000610901015 1186254685 /nfs/dbraw/zinc/25/46/85/1186254685.db2.gz WMMRYYKCOZMDDY-NHYWBVRUSA-N 1 1 378.385 0.156 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000610901015 1186254689 /nfs/dbraw/zinc/25/46/89/1186254689.db2.gz WMMRYYKCOZMDDY-NHYWBVRUSA-N 1 1 378.385 0.156 20 5 GCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262527880 1186303569 /nfs/dbraw/zinc/30/35/69/1186303569.db2.gz OCACTMPZRVBMFH-CYBMUJFWSA-N 1 1 382.442 0.488 20 5 GCBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262557775 1186305555 /nfs/dbraw/zinc/30/55/55/1186305555.db2.gz XEJJYOHYELZDEY-HNNXBMFYSA-N 1 1 396.469 0.742 20 5 GCBDMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000431333571 1186367036 /nfs/dbraw/zinc/36/70/36/1186367036.db2.gz ROQAHTAVIIBCEW-UHFFFAOYSA-N 1 1 393.444 0.614 20 5 GCBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157648242 1186367842 /nfs/dbraw/zinc/36/78/42/1186367842.db2.gz CDCWELHUIKTWCS-ZDUSSCGKSA-N 1 1 378.393 0.602 20 5 GCBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157648242 1186367847 /nfs/dbraw/zinc/36/78/47/1186367847.db2.gz CDCWELHUIKTWCS-ZDUSSCGKSA-N 1 1 378.393 0.602 20 5 GCBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157648242 1186367851 /nfs/dbraw/zinc/36/78/51/1186367851.db2.gz CDCWELHUIKTWCS-ZDUSSCGKSA-N 1 1 378.393 0.602 20 5 GCBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157648242 1186367855 /nfs/dbraw/zinc/36/78/55/1186367855.db2.gz CDCWELHUIKTWCS-ZDUSSCGKSA-N 1 1 378.393 0.602 20 5 GCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000119782357 1186400507 /nfs/dbraw/zinc/40/05/07/1186400507.db2.gz LRPBTMSVFXPNKN-UHFFFAOYSA-N 1 1 377.445 0.989 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000263663326 1186456472 /nfs/dbraw/zinc/45/64/72/1186456472.db2.gz DZHWBODEROXXCO-CQSZACIVSA-N 1 1 399.473 0.597 20 5 GCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001648917231 1186640153 /nfs/dbraw/zinc/64/01/53/1186640153.db2.gz CRDRTOBIAUUESL-APHBMKBZSA-N 1 1 396.469 0.720 20 5 GCBDMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000582802530 1186684856 /nfs/dbraw/zinc/68/48/56/1186684856.db2.gz FHBUBFKGFVPOKG-HNNXBMFYSA-N 1 1 391.472 0.925 20 5 GCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612566791 1186725871 /nfs/dbraw/zinc/72/58/71/1186725871.db2.gz XVZFEVAGEXOSPK-UHFFFAOYSA-N 1 1 378.385 0.212 20 5 GCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268266 1186863653 /nfs/dbraw/zinc/86/36/53/1186863653.db2.gz IVMWNBFGZGJFCA-ARFHVFGLSA-N 1 1 384.429 0.680 20 5 GCBDMO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278667038 1187012105 /nfs/dbraw/zinc/01/21/05/1187012105.db2.gz BHSQPZJJCQZQCU-CQSZACIVSA-N 1 1 398.423 0.993 20 5 GCBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000364498497 1187445965 /nfs/dbraw/zinc/44/59/65/1187445965.db2.gz FQRMMZJHSXYMCW-KFWWJZLASA-N 1 1 378.429 0.857 20 5 GCBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CCN2C1=O ZINC000375859144 1187454378 /nfs/dbraw/zinc/45/43/78/1187454378.db2.gz INLLXCTZDBUSTN-AWEZNQCLSA-N 1 1 376.369 0.930 20 5 GCBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CCN2C1=O ZINC000375859144 1187454380 /nfs/dbraw/zinc/45/43/80/1187454380.db2.gz INLLXCTZDBUSTN-AWEZNQCLSA-N 1 1 376.369 0.930 20 5 GCBDMO COC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411911341 1187530832 /nfs/dbraw/zinc/53/08/32/1187530832.db2.gz HETRFRNONCFYNF-ZDUSSCGKSA-N 1 1 394.428 0.969 20 5 GCBDMO COC(=O)[C@H]1CN(C)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411911341 1187530834 /nfs/dbraw/zinc/53/08/34/1187530834.db2.gz HETRFRNONCFYNF-ZDUSSCGKSA-N 1 1 394.428 0.969 20 5 GCBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000411911341 1187530837 /nfs/dbraw/zinc/53/08/37/1187530837.db2.gz HETRFRNONCFYNF-ZDUSSCGKSA-N 1 1 394.428 0.969 20 5 GCBDMO COC(=O)[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)C1 ZINC000411921427 1187532715 /nfs/dbraw/zinc/53/27/15/1187532715.db2.gz SKOMHCNHSBBLQK-AWEZNQCLSA-N 1 1 376.413 0.521 20 5 GCBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000580430785 1187682917 /nfs/dbraw/zinc/68/29/17/1187682917.db2.gz WQVPOKZWRXOSLC-HNNXBMFYSA-N 1 1 396.469 0.363 20 5 GCBDMO C[NH+]1CCN(C(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000180593124 1187850529 /nfs/dbraw/zinc/85/05/29/1187850529.db2.gz WKQRGORXIDFKPP-UHFFFAOYSA-N 1 1 375.429 0.127 20 5 GCBDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472621315 1187923793 /nfs/dbraw/zinc/92/37/93/1187923793.db2.gz WZWUCQFJJTVJQB-UHFFFAOYSA-N 1 1 382.392 0.978 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000104069819 1189442059 /nfs/dbraw/zinc/44/20/59/1189442059.db2.gz KQVMBTQXHACPJD-INIZCTEOSA-N 1 1 375.429 0.947 20 5 GCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378445165 1189510023 /nfs/dbraw/zinc/51/00/23/1189510023.db2.gz SIZORVMRMPJGOI-UHFFFAOYSA-N 1 1 399.469 0.751 20 5 GCBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC(=O)NCC(F)(F)F ZINC000365867495 1189610752 /nfs/dbraw/zinc/61/07/52/1189610752.db2.gz ZGKFAVBMZXLCSU-UHFFFAOYSA-N 1 1 378.311 0.816 20 5 GCBDMO C[NH+]1CCC(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000412460867 1189628493 /nfs/dbraw/zinc/62/84/93/1189628493.db2.gz HYKMHPUQUFGTOV-UHFFFAOYSA-N 1 1 378.429 0.827 20 5 GCBDMO CC[C@@H](C(=O)OC)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000511608076 1189628931 /nfs/dbraw/zinc/62/89/31/1189628931.db2.gz BEKLVFMDMUSMBJ-WBVHZDCISA-N 1 1 381.429 0.904 20 5 GCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417238739 1189635195 /nfs/dbraw/zinc/63/51/95/1189635195.db2.gz YZLPXAJANIEUNG-INIZCTEOSA-N 1 1 375.429 0.743 20 5 GCBDMO COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482628 1189669501 /nfs/dbraw/zinc/66/95/01/1189669501.db2.gz VQHAPFLHBMIIHJ-WMLDXEAASA-N 1 1 380.401 0.301 20 5 GCBDMO Cc1c(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000584862832 1189696150 /nfs/dbraw/zinc/69/61/50/1189696150.db2.gz KKCKPCXQDHVJJL-OAHLLOKOSA-N 1 1 390.440 0.700 20 5 GCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000549544258 1190034529 /nfs/dbraw/zinc/03/45/29/1190034529.db2.gz DGQFXRZWJXEYBP-OAHLLOKOSA-N 1 1 392.437 0.687 20 5 GCBDMO C[C@](O)(CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000433377879 1193821103 /nfs/dbraw/zinc/82/11/03/1193821103.db2.gz OLUAHBNMJYFKGL-SFHVURJKSA-N 1 1 378.429 0.982 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419350692 1193845875 /nfs/dbraw/zinc/84/58/75/1193845875.db2.gz WUXUIMPKJNBTPI-ZFWWWQNUSA-N 1 1 381.385 0.088 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419350692 1193845880 /nfs/dbraw/zinc/84/58/80/1193845880.db2.gz WUXUIMPKJNBTPI-ZFWWWQNUSA-N 1 1 381.385 0.088 20 5 GCBDMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000513103864 1193883463 /nfs/dbraw/zinc/88/34/63/1193883463.db2.gz ZOAAHKLMJIUVFK-BETUJISGSA-N 1 1 384.458 0.814 20 5 GCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000509919054 1193925301 /nfs/dbraw/zinc/92/53/01/1193925301.db2.gz WOSSFDOQGDLANU-CYBMUJFWSA-N 1 1 392.412 0.547 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CCCN3CCOCC3)CC2)c1 ZINC000182950481 1193965733 /nfs/dbraw/zinc/96/57/33/1193965733.db2.gz ZOBGZOSKMKOFTA-SFHVURJKSA-N 1 1 381.477 0.977 20 5 GCBDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000280519945 1194003182 /nfs/dbraw/zinc/00/31/82/1194003182.db2.gz DUUDMDLEETXGFF-GOSISDBHSA-N 1 1 375.429 0.441 20 5 GCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1F ZINC000413439426 1194261295 /nfs/dbraw/zinc/26/12/95/1194261295.db2.gz NPJLQWUJQXCOER-UHFFFAOYSA-N 1 1 382.392 0.565 20 5 GCBDMO COCC(COC)[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000413471598 1194268723 /nfs/dbraw/zinc/26/87/23/1194268723.db2.gz IWGHMURJCHARMM-UHFFFAOYSA-N 1 1 388.446 0.026 20 5 GCBDMO C[N@@H+](CCCN1CCOCC1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420970317 1194279171 /nfs/dbraw/zinc/27/91/71/1194279171.db2.gz FFYDHHKKEBLPQH-UHFFFAOYSA-N 1 1 386.474 0.527 20 5 GCBDMO CN(CCC[NH+]1CCOCC1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420970317 1194279175 /nfs/dbraw/zinc/27/91/75/1194279175.db2.gz FFYDHHKKEBLPQH-UHFFFAOYSA-N 1 1 386.474 0.527 20 5 GCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCNC(=O)CC1 ZINC000420969104 1194279282 /nfs/dbraw/zinc/27/92/82/1194279282.db2.gz AYFGGFXCONBXLV-CYBMUJFWSA-N 1 1 384.458 0.721 20 5 GCBDMO CCOC(=O)[C@@](C)(O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972282 1194280149 /nfs/dbraw/zinc/28/01/49/1194280149.db2.gz KCRUKDBDWXAZKL-HNNXBMFYSA-N 1 1 389.430 0.119 20 5 GCBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972282 1194280153 /nfs/dbraw/zinc/28/01/53/1194280153.db2.gz KCRUKDBDWXAZKL-HNNXBMFYSA-N 1 1 389.430 0.119 20 5 GCBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366799449 1194301469 /nfs/dbraw/zinc/30/14/69/1194301469.db2.gz GXPXKBZETYPWRL-ZFWWWQNUSA-N 1 1 378.385 0.521 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413898737 1194356934 /nfs/dbraw/zinc/35/69/34/1194356934.db2.gz IYCKXRTTWOVTIX-LBPRGKRZSA-N 1 1 381.385 0.789 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413898737 1194356942 /nfs/dbraw/zinc/35/69/42/1194356942.db2.gz IYCKXRTTWOVTIX-LBPRGKRZSA-N 1 1 381.385 0.789 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413914224 1194359794 /nfs/dbraw/zinc/35/97/94/1194359794.db2.gz GGFFCSBLZAXZDF-CYBMUJFWSA-N 1 1 388.384 0.352 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413914224 1194359799 /nfs/dbraw/zinc/35/97/99/1194359799.db2.gz GGFFCSBLZAXZDF-CYBMUJFWSA-N 1 1 388.384 0.352 20 5 GCBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000503188087 1194404377 /nfs/dbraw/zinc/40/43/77/1194404377.db2.gz GKUWPQPSVKXXBH-OAHLLOKOSA-N 1 1 384.458 0.864 20 5 GCBDMO C[C@@H]1[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[N@H+]1C ZINC000422425275 1194637896 /nfs/dbraw/zinc/63/78/96/1194637896.db2.gz MBNVJDGDZPUYLI-ZIAGYGMSSA-N 1 1 390.444 0.237 20 5 GCBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975711 1194880978 /nfs/dbraw/zinc/88/09/78/1194880978.db2.gz FVDUXUFPNPBSRV-UONOGXRCSA-N 1 1 396.444 0.555 20 5 GCBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975711 1194880980 /nfs/dbraw/zinc/88/09/80/1194880980.db2.gz FVDUXUFPNPBSRV-UONOGXRCSA-N 1 1 396.444 0.555 20 5 GCBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000505637211 1194904218 /nfs/dbraw/zinc/90/42/18/1194904218.db2.gz RWLGLXIOLGMLHC-MRXNPFEDSA-N 1 1 382.442 0.800 20 5 GCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000515283713 1194964423 /nfs/dbraw/zinc/96/44/23/1194964423.db2.gz IYUROUUBAOTWLL-ZDUSSCGKSA-N 1 1 390.396 0.702 20 5 GCBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000515433364 1194975601 /nfs/dbraw/zinc/97/56/01/1194975601.db2.gz SDWQFUODTNWGMD-UHFFFAOYSA-N 1 1 384.458 0.816 20 5 GCBDMO CCC[N@@H+](C)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000517347545 1195174443 /nfs/dbraw/zinc/17/44/43/1195174443.db2.gz DHUCJIMZJFRLMY-UHFFFAOYSA-N 1 1 398.485 0.989 20 5 GCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517953810 1195232152 /nfs/dbraw/zinc/23/21/52/1195232152.db2.gz VGJJNCMPOFQANL-AWEZNQCLSA-N 1 1 384.458 0.864 20 5 GCBDMO C[N@H+]1CCC[C@H](CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000518137503 1195251571 /nfs/dbraw/zinc/25/15/71/1195251571.db2.gz HFIOSHZQRCITKC-GFCCVEGCSA-N 1 1 399.473 0.502 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518307136 1195278118 /nfs/dbraw/zinc/27/81/18/1195278118.db2.gz OZTNHCUDMHETFF-OAHLLOKOSA-N 1 1 379.417 0.613 20 5 GCBDMO NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000550166922 1195451945 /nfs/dbraw/zinc/45/19/45/1195451945.db2.gz NBFLDYDJEBJEIQ-LBPRGKRZSA-N 1 1 398.441 0.037 20 5 GCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000426957867 1195495264 /nfs/dbraw/zinc/49/52/64/1195495264.db2.gz ZKGHAOJTHIALFH-SFHVURJKSA-N 1 1 388.428 0.728 20 5 GCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000519851917 1195577940 /nfs/dbraw/zinc/57/79/40/1195577940.db2.gz SCKOXRCCDSQHED-UHFFFAOYSA-N 1 1 386.412 0.674 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+](C)C1 ZINC000840499182 1196141604 /nfs/dbraw/zinc/14/16/04/1196141604.db2.gz ODEHWIGPSWZLNN-NSHDSACASA-N 1 1 382.392 0.977 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+](C)C1 ZINC000840499182 1196141607 /nfs/dbraw/zinc/14/16/07/1196141607.db2.gz ODEHWIGPSWZLNN-NSHDSACASA-N 1 1 382.392 0.977 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000474784088 1196149413 /nfs/dbraw/zinc/14/94/13/1196149413.db2.gz OCNNGPVHPSJQBQ-HIFRSBDPSA-N 1 1 395.508 0.969 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000280957265 1196268672 /nfs/dbraw/zinc/26/86/72/1196268672.db2.gz KKTULWVZXARURC-UHFFFAOYSA-N 1 1 391.428 0.911 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000280957265 1196268676 /nfs/dbraw/zinc/26/86/76/1196268676.db2.gz KKTULWVZXARURC-UHFFFAOYSA-N 1 1 391.428 0.911 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000281639488 1196317136 /nfs/dbraw/zinc/31/71/36/1196317136.db2.gz QOBDTTDKYBXENH-QWHCGFSZSA-N 1 1 394.428 0.247 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000281734322 1196327844 /nfs/dbraw/zinc/32/78/44/1196327844.db2.gz UCBWTPZUJLMBOJ-UHFFFAOYSA-N 1 1 393.444 0.686 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000281750648 1196330178 /nfs/dbraw/zinc/33/01/78/1196330178.db2.gz VXSZZUFDANVQFL-ZDUSSCGKSA-N 1 1 379.417 0.294 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000522829639 1196349117 /nfs/dbraw/zinc/34/91/17/1196349117.db2.gz OUTSPPDBTWCPSI-ZDUSSCGKSA-N 1 1 391.428 0.545 20 5 GCBDMO CN(CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000268226902 1196443680 /nfs/dbraw/zinc/44/36/80/1196443680.db2.gz ROKDSDPPZXRSOR-CQSZACIVSA-N 1 1 398.485 0.608 20 5 GCBDMO C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000523170542 1196499197 /nfs/dbraw/zinc/49/91/97/1196499197.db2.gz SIIQVCHQJNOCDK-CYBMUJFWSA-N 1 1 392.412 0.405 20 5 GCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000523596054 1196537142 /nfs/dbraw/zinc/53/71/42/1196537142.db2.gz SKPPFRVTPRFWBY-CYBMUJFWSA-N 1 1 385.446 0.267 20 5 GCBDMO C[C@](O)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000467499213 1196569584 /nfs/dbraw/zinc/56/95/84/1196569584.db2.gz PRYXVCBEWCXKGI-SFHVURJKSA-N 1 1 378.429 0.982 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000524419898 1196594411 /nfs/dbraw/zinc/59/44/11/1196594411.db2.gz FZWUCBPEOXEVNO-LBPRGKRZSA-N 1 1 392.412 0.683 20 5 GCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524720831 1196619004 /nfs/dbraw/zinc/61/90/04/1196619004.db2.gz CTGCXVALSKLONO-CYBMUJFWSA-N 1 1 384.458 0.721 20 5 GCBDMO CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000525106751 1196648859 /nfs/dbraw/zinc/64/88/59/1196648859.db2.gz VWLUEOODWYNZIH-CQSZACIVSA-N 1 1 384.458 0.816 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000525335261 1196670770 /nfs/dbraw/zinc/67/07/70/1196670770.db2.gz SEJIIJDRJRAELE-OAHLLOKOSA-N 1 1 395.508 0.971 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000429709129 1196694546 /nfs/dbraw/zinc/69/45/46/1196694546.db2.gz OXOYTYDJCGQJBF-UHFFFAOYSA-N 1 1 398.485 0.623 20 5 GCBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000525960520 1196729956 /nfs/dbraw/zinc/72/99/56/1196729956.db2.gz MCADDBLUHZCRGK-ZDUSSCGKSA-N 1 1 385.490 0.928 20 5 GCBDMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000145569118 1196818967 /nfs/dbraw/zinc/81/89/67/1196818967.db2.gz KTEYBKAPZACJJN-HLLBOEOZSA-N 1 1 379.461 0.582 20 5 GCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000026256326 1196842674 /nfs/dbraw/zinc/84/26/74/1196842674.db2.gz KYZKVIZXIDWWQH-UHFFFAOYSA-N 1 1 377.445 0.938 20 5 GCBDMO Cc1nc(N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450327837 1196924191 /nfs/dbraw/zinc/92/41/91/1196924191.db2.gz NCCMIYXNZWIDAU-UHFFFAOYSA-N 1 1 391.476 0.368 20 5 GCBDMO Cc1nc(N2C[C@H]3CC[NH+](C)[C@H]3C2)nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450779174 1196954458 /nfs/dbraw/zinc/95/44/58/1196954458.db2.gz NAPSXDJVCXHUKY-JJXSEGSLSA-N 1 1 387.488 0.974 20 5 GCBDMO Cc1nc(N2C[C@H]3CC[NH+](C)[C@H]3C2)nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450779174 1196954461 /nfs/dbraw/zinc/95/44/61/1196954461.db2.gz NAPSXDJVCXHUKY-JJXSEGSLSA-N 1 1 387.488 0.974 20 5 GCBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000530768392 1197015123 /nfs/dbraw/zinc/01/51/23/1197015123.db2.gz AVTUCASSLRGAEP-ZDUSSCGKSA-N 1 1 399.473 0.514 20 5 GCBDMO NC(=O)c1ccc(SCC(=O)NC[C@@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000452350869 1197053253 /nfs/dbraw/zinc/05/32/53/1197053253.db2.gz OZRFQATVZRUJED-ZDUSSCGKSA-N 1 1 396.469 0.749 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452383102 1197055957 /nfs/dbraw/zinc/05/59/57/1197055957.db2.gz OFFMNHPYASVXRM-ZIAGYGMSSA-N 1 1 382.465 0.790 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452366654 1197056534 /nfs/dbraw/zinc/05/65/34/1197056534.db2.gz OWZXLFLEDJKDKS-UONOGXRCSA-N 1 1 382.465 0.790 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452379263 1197058506 /nfs/dbraw/zinc/05/85/06/1197058506.db2.gz ZITZDOJJSXFMIM-ZDUSSCGKSA-N 1 1 392.412 0.283 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452785945 1197081291 /nfs/dbraw/zinc/08/12/91/1197081291.db2.gz WANLRCXMTKFQCJ-XJKSGUPXSA-N 1 1 378.429 0.676 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452785944 1197081369 /nfs/dbraw/zinc/08/13/69/1197081369.db2.gz WANLRCXMTKFQCJ-CZUORRHYSA-N 1 1 378.429 0.676 20 5 GCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000532275297 1197133789 /nfs/dbraw/zinc/13/37/89/1197133789.db2.gz BAGYRYHEPAIBLT-UHFFFAOYSA-N 1 1 387.444 0.913 20 5 GCBDMO COC(=O)COc1ccc(C[NH+]2CCC([C@@H](O)C(=O)OC)CC2)cc1[N+](=O)[O-] ZINC000475699625 1197153055 /nfs/dbraw/zinc/15/30/55/1197153055.db2.gz LSYBUARFSAJWAW-QGZVFWFLSA-N 1 1 396.396 0.893 20 5 GCBDMO COc1ccc(NC(=O)CC[NH+]2CCN(CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000026256296 1197333208 /nfs/dbraw/zinc/33/32/08/1197333208.db2.gz FAKGCFUGEIRTDE-UHFFFAOYSA-N 1 1 393.444 0.638 20 5 GCBDMO 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C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000056028196 1199929534 /nfs/dbraw/zinc/92/95/34/1199929534.db2.gz SRQUEFFLCXWSIT-UHFFFAOYSA-N 1 1 386.412 0.747 20 5 GCBDMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000056197289 1199931664 /nfs/dbraw/zinc/93/16/64/1199931664.db2.gz NAHSIUQWSWLGHM-UWVGGRQHSA-N 1 1 375.385 0.496 20 5 GCBDMO COCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265913649 1200334149 /nfs/dbraw/zinc/33/41/49/1200334149.db2.gz LEFDFLXNTFNUBU-UHFFFAOYSA-N 1 1 393.444 0.640 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245923340 1200382775 /nfs/dbraw/zinc/38/27/75/1200382775.db2.gz SZRZKCOAYMAFDL-IRXDYDNUSA-N 1 1 386.408 0.508 20 5 GCBDMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041719834 1200391428 /nfs/dbraw/zinc/39/14/28/1200391428.db2.gz XJHJIIQAYDDCSG-UHFFFAOYSA-N 1 1 377.445 0.986 20 5 GCBDMO 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CC[N@H+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088406 1201214916 /nfs/dbraw/zinc/21/49/16/1201214916.db2.gz UCOKFZRLCPOQSI-ZDUSSCGKSA-N 1 1 384.458 0.768 20 5 GCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000611147068 1201219484 /nfs/dbraw/zinc/21/94/84/1201219484.db2.gz TYRVVQJPDGQXKB-QGZVFWFLSA-N 1 1 391.472 0.843 20 5 GCBDMO CC(C)(CO)[NH+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000611165940 1201221241 /nfs/dbraw/zinc/22/12/41/1201221241.db2.gz LGVYDTFWNQPDPE-UHFFFAOYSA-N 1 1 396.469 0.701 20 5 GCBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000611177029 1201222089 /nfs/dbraw/zinc/22/20/89/1201222089.db2.gz ZVAFQAGXJKMWDV-UHFFFAOYSA-N 1 1 391.472 0.774 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000611242486 1201226147 /nfs/dbraw/zinc/22/61/47/1201226147.db2.gz GLJLNDZYBGJWCW-AWEZNQCLSA-N 1 1 397.457 0.161 20 5 GCBDMO 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C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001181440782 1205844786 /nfs/dbraw/zinc/84/47/86/1205844786.db2.gz DOLGJQHYDCXYHC-IMJJTQAJSA-N 1 1 375.429 0.850 20 5 GCBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164864627 720891017 /nfs/dbraw/zinc/89/10/17/720891017.db2.gz WEFKGXMJQRBZOM-BBRMVZONSA-N 1 1 394.428 0.950 20 5 GCBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892836 721382362 /nfs/dbraw/zinc/38/23/62/721382362.db2.gz TVFPNKRSNMOVOP-MJGOQNOKSA-N 1 1 391.472 0.994 20 5 GCBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc([N+](=O)[O-])c(N)n2)CC3)CC1 ZINC001164997649 722235085 /nfs/dbraw/zinc/23/50/85/722235085.db2.gz SXTPAJIWLCRKGP-UHFFFAOYSA-N 1 1 384.444 0.719 20 5 GCBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934295 947374305 /nfs/dbraw/zinc/37/43/05/947374305.db2.gz LYBUXLKROZLICK-CYBMUJFWSA-N 1 1 387.404 0.678 20 5 GCBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000599104514 530159369 /nfs/dbraw/zinc/15/93/69/530159369.db2.gz COGNQKZPUATLIE-VIFPVBQESA-N 1 1 380.220 0.624 20 5 GCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580647556 530324569 /nfs/dbraw/zinc/32/45/69/530324569.db2.gz UMSYYJWZRFUREZ-SNVBAGLBSA-N 1 1 383.352 0.104 20 5 GCBDMO Cc1c(C(=O)NCC[NH+]2CCSCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266844330 530554121 /nfs/dbraw/zinc/55/41/21/530554121.db2.gz OYIXALAGPCMSFW-UHFFFAOYSA-N 1 1 388.471 0.329 20 5 GCBDMO CCn1cc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000533174090 530900202 /nfs/dbraw/zinc/90/02/02/530900202.db2.gz IRFMJNZSUFOGIU-GFCCVEGCSA-N 1 1 375.451 0.326 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1-c1nn[nH]n1 ZINC000826500413 607589620 /nfs/dbraw/zinc/58/96/20/607589620.db2.gz XQSDBCSSCAQEAP-WDEREUQCSA-N 1 1 393.429 0.680 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1-c1nn[nH]n1 ZINC000826500413 607589621 /nfs/dbraw/zinc/58/96/21/607589621.db2.gz XQSDBCSSCAQEAP-WDEREUQCSA-N 1 1 393.429 0.680 20 5 GCBDMO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825452455 607603032 /nfs/dbraw/zinc/60/30/32/607603032.db2.gz OQMUMAOBEYBVON-NSHDSACASA-N 1 1 395.445 0.785 20 5 GCBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825452455 607603033 /nfs/dbraw/zinc/60/30/33/607603033.db2.gz OQMUMAOBEYBVON-NSHDSACASA-N 1 1 395.445 0.785 20 5 GCBDMO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825068563 607608517 /nfs/dbraw/zinc/60/85/17/607608517.db2.gz TZGLQLKFLAXNGM-SNVBAGLBSA-N 1 1 383.434 0.784 20 5 GCBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825068563 607608520 /nfs/dbraw/zinc/60/85/20/607608520.db2.gz TZGLQLKFLAXNGM-SNVBAGLBSA-N 1 1 383.434 0.784 20 5 GCBDMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824978648 607653558 /nfs/dbraw/zinc/65/35/58/607653558.db2.gz WYFIFWOYWFWNSO-MNOVXSKESA-N 1 1 395.445 0.782 20 5 GCBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824978648 607653559 /nfs/dbraw/zinc/65/35/59/607653559.db2.gz WYFIFWOYWFWNSO-MNOVXSKESA-N 1 1 395.445 0.782 20 5 GCBDMO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825121714 607665775 /nfs/dbraw/zinc/66/57/75/607665775.db2.gz UQFMIOATCBQGPC-LLVKDONJSA-N 1 1 395.445 0.928 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821575611 606706935 /nfs/dbraw/zinc/70/69/35/606706935.db2.gz IXDLYVKMPMLNNX-LBPRGKRZSA-N 1 1 389.420 0.525 20 5 GCBDMO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821268056 606736316 /nfs/dbraw/zinc/73/63/16/606736316.db2.gz SAGXLEJYNLNKJT-NSHDSACASA-N 1 1 395.445 0.880 20 5 GCBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821268056 606736317 /nfs/dbraw/zinc/73/63/17/606736317.db2.gz SAGXLEJYNLNKJT-NSHDSACASA-N 1 1 395.445 0.880 20 5 GCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821623190 607034757 /nfs/dbraw/zinc/03/47/57/607034757.db2.gz FTTQJUDAHMYWSZ-CQSZACIVSA-N 1 1 386.416 0.518 20 5 GCBDMO CC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821255399 607153923 /nfs/dbraw/zinc/15/39/23/607153923.db2.gz ZTMVUVXFDGPIKB-UHFFFAOYSA-N 1 1 381.418 0.538 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768831132 640761624 /nfs/dbraw/zinc/76/16/24/640761624.db2.gz AIUJUOZMPQRKMF-GFCCVEGCSA-N 1 1 388.471 0.759 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768831132 640761630 /nfs/dbraw/zinc/76/16/30/640761630.db2.gz AIUJUOZMPQRKMF-GFCCVEGCSA-N 1 1 388.471 0.759 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768839104 640762166 /nfs/dbraw/zinc/76/21/66/640762166.db2.gz NNYHWUAXWKBABB-SNVBAGLBSA-N 1 1 376.460 0.522 20 5 GCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849453229 642661743 /nfs/dbraw/zinc/66/17/43/642661743.db2.gz ZSUQRUALFOVPPR-UHFFFAOYSA-N 1 1 376.410 0.374 20 5 GCBDMO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000858628000 642962956 /nfs/dbraw/zinc/96/29/56/642962956.db2.gz IFVDWTZWINCCHA-SECBINFHSA-N 1 1 380.220 0.624 20 5 GCBDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000053837175 1192260875 /nfs/dbraw/zinc/26/08/75/1192260875.db2.gz UCPAULAAGWFCEF-UHFFFAOYSA-N 1 1 396.448 0.850 20 5 GCBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H](C[NH+]4CCOCC4)C3)cc2n(C)c1=O ZINC000585707409 1192393823 /nfs/dbraw/zinc/39/38/23/1192393823.db2.gz RVFAVSXQVVDIJH-CYBMUJFWSA-N 1 1 375.429 0.944 20 5 GCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512133068 1192466756 /nfs/dbraw/zinc/46/67/56/1192466756.db2.gz XPEFYLVCKGJUQJ-NWDGAFQWSA-N 1 1 399.473 0.595 20 5 GCBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000279145342 1192473474 /nfs/dbraw/zinc/47/34/74/1192473474.db2.gz YALPPJACZNDMAB-QGZVFWFLSA-N 1 1 375.385 0.906 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279173963 1192478767 /nfs/dbraw/zinc/47/87/67/1192478767.db2.gz HJKYPACOOZBRNE-UHFFFAOYSA-N 1 1 381.408 0.740 20 5 GCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000571126905 1192478819 /nfs/dbraw/zinc/47/88/19/1192478819.db2.gz JETAFZBEJHEKHB-UHFFFAOYSA-N 1 1 387.400 0.069 20 5 GCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000274541005 1184092290 /nfs/dbraw/zinc/09/22/90/1184092290.db2.gz FBMRQXUIEJZOOV-UHFFFAOYSA-N 1 1 399.473 0.597 20 5 GCBDMO NC(=O)NC(=O)CCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274830760 1184396627 /nfs/dbraw/zinc/39/66/27/1184396627.db2.gz MFGROGMTIMLDQB-UHFFFAOYSA-N 1 1 389.416 0.958 20 5 GCBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000274954263 1184438533 /nfs/dbraw/zinc/43/85/33/1184438533.db2.gz FFAKPXZDVJRPBW-LBPRGKRZSA-N 1 1 380.376 0.536 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000359961398 1184504603 /nfs/dbraw/zinc/50/46/03/1184504603.db2.gz SCCNAMVQPUJBJB-MRXNPFEDSA-N 1 1 396.469 0.839 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000359961398 1184504608 /nfs/dbraw/zinc/50/46/08/1184504608.db2.gz SCCNAMVQPUJBJB-MRXNPFEDSA-N 1 1 396.469 0.839 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000175532700 1184594116 /nfs/dbraw/zinc/59/41/16/1184594116.db2.gz CDJBHPAYAHLAEE-ZDUSSCGKSA-N 1 1 389.441 0.979 20 5 GCBDMO CN(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccccc1[N+](=O)[O-] ZINC001648908304 1184974288 /nfs/dbraw/zinc/97/42/88/1184974288.db2.gz BXQCFMJXGRKXCB-KBXCAEBGSA-N 1 1 378.429 0.373 20 5 GCBDMO [NH3+]Cc1nc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])no1 ZINC000579469257 1185099514 /nfs/dbraw/zinc/09/95/14/1185099514.db2.gz WWFCKZWDAVXFOQ-UHFFFAOYSA-N 1 1 399.385 0.036 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000261810611 1185262131 /nfs/dbraw/zinc/26/21/31/1185262131.db2.gz WSFGETCLCBDNFG-WFASDCNBSA-N 1 1 386.412 0.620 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000276020566 1185484853 /nfs/dbraw/zinc/48/48/53/1185484853.db2.gz YEFZGSSBCXXUFE-UHFFFAOYSA-N 1 1 376.373 0.658 20 5 GCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581184824 1185526054 /nfs/dbraw/zinc/52/60/54/1185526054.db2.gz XTPGKHWVSQOJGX-HNNXBMFYSA-N 1 1 390.444 0.191 20 5 GCBDMO C[C@@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000610209716 1185554550 /nfs/dbraw/zinc/55/45/50/1185554550.db2.gz XYFHJBQWRADENG-CHWSQXEVSA-N 1 1 384.458 0.814 20 5 GCBDMO NC(=O)c1ccc(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000430617864 1185786874 /nfs/dbraw/zinc/78/68/74/1185786874.db2.gz PQHYNEFQVAWCNB-OAHLLOKOSA-N 1 1 375.429 0.338 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276773177 1186041136 /nfs/dbraw/zinc/04/11/36/1186041136.db2.gz YPKNKADCBCZFPC-KGLIPLIRSA-N 1 1 378.429 0.547 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000610900621 1186254216 /nfs/dbraw/zinc/25/42/16/1186254216.db2.gz CHKLTDFLOOTRMU-IINYFYTJSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000610900621 1186254222 /nfs/dbraw/zinc/25/42/22/1186254222.db2.gz CHKLTDFLOOTRMU-IINYFYTJSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000610912371 1186259204 /nfs/dbraw/zinc/25/92/04/1186259204.db2.gz AZVROCAFJMKFID-GXFFZTMASA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000610912371 1186259209 /nfs/dbraw/zinc/25/92/09/1186259209.db2.gz AZVROCAFJMKFID-GXFFZTMASA-N 1 1 376.369 0.026 20 5 GCBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176267303 1186259975 /nfs/dbraw/zinc/25/99/75/1186259975.db2.gz WUEYQEYHVGFGIL-UHFFFAOYSA-N 1 1 392.420 0.992 20 5 GCBDMO CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176267303 1186259979 /nfs/dbraw/zinc/25/99/79/1186259979.db2.gz WUEYQEYHVGFGIL-UHFFFAOYSA-N 1 1 392.420 0.992 20 5 GCBDMO CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176267303 1186259985 /nfs/dbraw/zinc/25/99/85/1186259985.db2.gz WUEYQEYHVGFGIL-UHFFFAOYSA-N 1 1 392.420 0.992 20 5 GCBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000262492040 1186301430 /nfs/dbraw/zinc/30/14/30/1186301430.db2.gz GILOCHOJMKQXTR-LLVKDONJSA-N 1 1 386.405 0.319 20 5 GCBDMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262496279 1186301868 /nfs/dbraw/zinc/30/18/68/1186301868.db2.gz HBZFAKKSQUVPPR-CYBMUJFWSA-N 1 1 399.407 0.885 20 5 GCBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000262492041 1186302447 /nfs/dbraw/zinc/30/24/47/1186302447.db2.gz GILOCHOJMKQXTR-NSHDSACASA-N 1 1 386.405 0.319 20 5 GCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262521121 1186303094 /nfs/dbraw/zinc/30/30/94/1186303094.db2.gz MGYFVOGMJRAAKN-AWEZNQCLSA-N 1 1 382.442 0.488 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262532082 1186304566 /nfs/dbraw/zinc/30/45/66/1186304566.db2.gz PGSTWPJCBVIGQF-ZDUSSCGKSA-N 1 1 398.441 0.188 20 5 GCBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000262556630 1186305499 /nfs/dbraw/zinc/30/54/99/1186305499.db2.gz WTGSAZOCRJMYIN-CYBMUJFWSA-N 1 1 382.442 0.488 20 5 GCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1C ZINC000563153140 1186312513 /nfs/dbraw/zinc/31/25/13/1186312513.db2.gz IWOQRQACBYMLDA-KGLIPLIRSA-N 1 1 390.440 0.393 20 5 GCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1C ZINC000563153140 1186312518 /nfs/dbraw/zinc/31/25/18/1186312518.db2.gz IWOQRQACBYMLDA-KGLIPLIRSA-N 1 1 390.440 0.393 20 5 GCBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551497950 1186422680 /nfs/dbraw/zinc/42/26/80/1186422680.db2.gz IOSNWLQKUSIZAE-GJZGRUSLSA-N 1 1 390.444 0.698 20 5 GCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000511100814 1186499920 /nfs/dbraw/zinc/49/99/20/1186499920.db2.gz XKIAPJSQZFFKAE-AWEZNQCLSA-N 1 1 393.444 0.621 20 5 GCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000127879270 1186567314 /nfs/dbraw/zinc/56/73/14/1186567314.db2.gz OGYNPZASLPRRKM-IYBDPMFKSA-N 1 1 391.472 0.774 20 5 GCBDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] ZINC000178691062 1186710067 /nfs/dbraw/zinc/71/00/67/1186710067.db2.gz JXNGCDIVBIFHRY-GHMZBOCLSA-N 1 1 389.412 0.805 20 5 GCBDMO Cc1[nH+]ccn1CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000052297885 1186834875 /nfs/dbraw/zinc/83/48/75/1186834875.db2.gz GKNKFDTUHKIRBT-UHFFFAOYSA-N 1 1 396.429 0.377 20 5 GCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388878 1186925420 /nfs/dbraw/zinc/92/54/20/1186925420.db2.gz VBIFQMCUSOAQNO-QILLFSRXSA-N 1 1 384.429 0.680 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000611896603 1187095150 /nfs/dbraw/zinc/09/51/50/1187095150.db2.gz WOMJRCKQKSUOHI-DZGCQCFKSA-N 1 1 392.412 0.600 20 5 GCBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)OCCO2 ZINC000364032875 1187415117 /nfs/dbraw/zinc/41/51/17/1187415117.db2.gz JKWRUUWYZZPKBB-RYUDHWBXSA-N 1 1 399.425 0.508 20 5 GCBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)OCCO2 ZINC000364032875 1187415119 /nfs/dbraw/zinc/41/51/19/1187415119.db2.gz JKWRUUWYZZPKBB-RYUDHWBXSA-N 1 1 399.425 0.508 20 5 GCBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000410472744 1187424642 /nfs/dbraw/zinc/42/46/42/1187424642.db2.gz IEAGFNFWPZHTCY-OAHLLOKOSA-N 1 1 389.456 0.796 20 5 GCBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000410472743 1187424783 /nfs/dbraw/zinc/42/47/83/1187424783.db2.gz IEAGFNFWPZHTCY-HNNXBMFYSA-N 1 1 389.456 0.796 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364424317 1187441870 /nfs/dbraw/zinc/44/18/70/1187441870.db2.gz AKKLULKIHOSYPO-AWEZNQCLSA-N 1 1 382.442 0.698 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364424317 1187441874 /nfs/dbraw/zinc/44/18/74/1187441874.db2.gz AKKLULKIHOSYPO-AWEZNQCLSA-N 1 1 382.442 0.698 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@H+](C)C1 ZINC000411757342 1187511656 /nfs/dbraw/zinc/51/16/56/1187511656.db2.gz KZCJUJRRESEWLR-LBPRGKRZSA-N 1 1 378.385 0.405 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000411757342 1187511660 /nfs/dbraw/zinc/51/16/60/1187511660.db2.gz KZCJUJRRESEWLR-LBPRGKRZSA-N 1 1 378.385 0.405 20 5 GCBDMO COCC(COC)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411856367 1187525244 /nfs/dbraw/zinc/52/52/44/1187525244.db2.gz HBCXPWJCZSYUFP-UHFFFAOYSA-N 1 1 380.445 0.837 20 5 GCBDMO COCC(COC)[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000411862416 1187527941 /nfs/dbraw/zinc/52/79/41/1187527941.db2.gz PFMXFNMKGGJYQQ-UHFFFAOYSA-N 1 1 392.456 0.763 20 5 GCBDMO COC(=O)[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)C1 ZINC000411922818 1187532355 /nfs/dbraw/zinc/53/23/55/1187532355.db2.gz VCZKWFNEKMNLPY-CYBMUJFWSA-N 1 1 392.412 0.929 20 5 GCBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000411922818 1187532359 /nfs/dbraw/zinc/53/23/59/1187532359.db2.gz VCZKWFNEKMNLPY-CYBMUJFWSA-N 1 1 392.412 0.929 20 5 GCBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000411922818 1187532363 /nfs/dbraw/zinc/53/23/63/1187532363.db2.gz VCZKWFNEKMNLPY-CYBMUJFWSA-N 1 1 392.412 0.929 20 5 GCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000365450827 1187532557 /nfs/dbraw/zinc/53/25/57/1187532557.db2.gz XOWOQSOZYJQPIL-HNNXBMFYSA-N 1 1 382.442 0.522 20 5 GCBDMO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000376109194 1187608926 /nfs/dbraw/zinc/60/89/26/1187608926.db2.gz DRICVFSYARUQFI-INIZCTEOSA-N 1 1 392.456 0.805 20 5 GCBDMO CC[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000066373511 1187673851 /nfs/dbraw/zinc/67/38/51/1187673851.db2.gz HDTZLZHGYUQZMD-UHFFFAOYSA-N 1 1 385.490 0.895 20 5 GCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174769685 1187763820 /nfs/dbraw/zinc/76/38/20/1187763820.db2.gz LUXMYMRFIPXXAW-AWEZNQCLSA-N 1 1 377.445 0.923 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472599305 1187858497 /nfs/dbraw/zinc/85/84/97/1187858497.db2.gz NJICQTKKAIQCST-CYBMUJFWSA-N 1 1 381.364 0.128 20 5 GCBDMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000472603727 1187874456 /nfs/dbraw/zinc/87/44/56/1187874456.db2.gz XWIUVTJDWMPLDJ-GFCCVEGCSA-N 1 1 381.408 0.672 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189764191 1187958735 /nfs/dbraw/zinc/95/87/35/1187958735.db2.gz WNUJGCSVZUBUTA-UHFFFAOYSA-N 1 1 377.445 0.938 20 5 GCBDMO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000178953229 1187971006 /nfs/dbraw/zinc/97/10/06/1187971006.db2.gz WINHZGJQBUAKEA-OAHLLOKOSA-N 1 1 384.502 0.940 20 5 GCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415480603 1188090066 /nfs/dbraw/zinc/09/00/66/1188090066.db2.gz HTPKTDGSORLKIQ-UHFFFAOYSA-N 1 1 397.457 0.663 20 5 GCBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1F ZINC000412191682 1188102471 /nfs/dbraw/zinc/10/24/71/1188102471.db2.gz KLINYYKQRODWDG-UHFFFAOYSA-N 1 1 396.419 0.908 20 5 GCBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000415605522 1188122422 /nfs/dbraw/zinc/12/24/22/1188122422.db2.gz OGIFOQWGZWBUIC-CYBMUJFWSA-N 1 1 393.375 0.095 20 5 GCBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415629358 1188129309 /nfs/dbraw/zinc/12/93/09/1188129309.db2.gz HUJGTTPYFLCTLN-UHFFFAOYSA-N 1 1 387.393 0.185 20 5 GCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000377797323 1188138561 /nfs/dbraw/zinc/13/85/61/1188138561.db2.gz UUKHOWRKRPLDIR-QGZVFWFLSA-N 1 1 391.472 0.843 20 5 GCBDMO CNc1nccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539397 1188159091 /nfs/dbraw/zinc/15/90/91/1188159091.db2.gz QVJNPQZSBYJFOZ-CABCVRRESA-N 1 1 385.424 1.397 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N(C)CCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000290620908 1189424512 /nfs/dbraw/zinc/42/45/12/1189424512.db2.gz KYTVXEHVGVYLDS-UHFFFAOYSA-N 1 1 393.488 0.975 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N(C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000290620908 1189424515 /nfs/dbraw/zinc/42/45/15/1189424515.db2.gz KYTVXEHVGVYLDS-UHFFFAOYSA-N 1 1 393.488 0.975 20 5 GCBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264456956 1189457354 /nfs/dbraw/zinc/45/73/54/1189457354.db2.gz QYACOUJXNYBOOF-CQSZACIVSA-N 1 1 377.445 0.467 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416298585 1189484582 /nfs/dbraw/zinc/48/45/82/1189484582.db2.gz QZRUFPADRQZFJA-MJBXVCDLSA-N 1 1 378.429 0.627 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416298585 1189484586 /nfs/dbraw/zinc/48/45/86/1189484586.db2.gz QZRUFPADRQZFJA-MJBXVCDLSA-N 1 1 378.429 0.627 20 5 GCBDMO C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417125257 1189619852 /nfs/dbraw/zinc/61/98/52/1189619852.db2.gz BFUQEEJZDHLYOO-GFCCVEGCSA-N 1 1 397.457 0.285 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000365884817 1189627616 /nfs/dbraw/zinc/62/76/16/1189627616.db2.gz OKZBWQKEHGNMOA-UHFFFAOYSA-N 1 1 393.448 0.302 20 5 GCBDMO CC[C@H](C(=O)OC)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000511608068 1189628896 /nfs/dbraw/zinc/62/88/96/1189628896.db2.gz BEKLVFMDMUSMBJ-DOTOQJQBSA-N 1 1 381.429 0.904 20 5 GCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417767309 1189703951 /nfs/dbraw/zinc/70/39/51/1189703951.db2.gz QHJOLWKBTYNVAZ-OAHLLOKOSA-N 1 1 375.429 0.743 20 5 GCBDMO C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418238586 1189741048 /nfs/dbraw/zinc/74/10/48/1189741048.db2.gz XMYOYRUVRJAFLO-LBPRGKRZSA-N 1 1 397.457 0.285 20 5 GCBDMO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000106041548 1189842837 /nfs/dbraw/zinc/84/28/37/1189842837.db2.gz ZJPLPNRBUPWBFN-UHFFFAOYSA-N 1 1 393.444 0.498 20 5 GCBDMO CN(C)c1[nH+]cc(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1C ZINC000509910518 1193924071 /nfs/dbraw/zinc/92/40/71/1193924071.db2.gz QYTDDZQORRYMLA-UHFFFAOYSA-N 1 1 388.384 0.436 20 5 GCBDMO CN(CC(=O)NCC[N@@H+]1CC=CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000280355117 1193990152 /nfs/dbraw/zinc/99/01/52/1193990152.db2.gz XONSUXKLCSKSGR-UHFFFAOYSA-N 1 1 382.442 0.593 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413893806 1194357048 /nfs/dbraw/zinc/35/70/48/1194357048.db2.gz BMAAAILVPHCTBU-OLZOCXBDSA-N 1 1 396.448 0.390 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413916643 1194360285 /nfs/dbraw/zinc/36/02/85/1194360285.db2.gz JBRFGXUQZLTIPM-GXTWGEPZSA-N 1 1 392.412 0.276 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+](C)C1 ZINC000413916115 1194360564 /nfs/dbraw/zinc/36/05/64/1194360564.db2.gz IPEIOTLIWPYOSI-NSHDSACASA-N 1 1 379.369 0.543 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+](C)C1 ZINC000413916115 1194360569 /nfs/dbraw/zinc/36/05/69/1194360569.db2.gz IPEIOTLIWPYOSI-NSHDSACASA-N 1 1 379.369 0.543 20 5 GCBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000413975858 1194369208 /nfs/dbraw/zinc/36/92/08/1194369208.db2.gz GKIHNLDKDZFYOF-HZPDHXFCSA-N 1 1 388.428 0.840 20 5 GCBDMO Cc1[nH+]ccn1CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421977292 1194375290 /nfs/dbraw/zinc/37/52/90/1194375290.db2.gz GBJPFQXETMQYOY-UHFFFAOYSA-N 1 1 381.414 0.537 20 5 GCBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421971329 1194375970 /nfs/dbraw/zinc/37/59/70/1194375970.db2.gz APJSXLUVMIVPIH-IUODEOHRSA-N 1 1 384.458 0.529 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422150832 1194400645 /nfs/dbraw/zinc/40/06/45/1194400645.db2.gz CCVWZDYEUKTFET-CQSZACIVSA-N 1 1 399.473 0.609 20 5 GCBDMO CCN1CCC([N@@H+]2CCCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000422193606 1194454030 /nfs/dbraw/zinc/45/40/30/1194454030.db2.gz SBGDCIKXCXSUCU-UHFFFAOYSA-N 1 1 393.492 0.993 20 5 GCBDMO CCN1CCC([N@H+]2CCCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000422193606 1194454031 /nfs/dbraw/zinc/45/40/31/1194454031.db2.gz SBGDCIKXCXSUCU-UHFFFAOYSA-N 1 1 393.492 0.993 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000422312980 1194610712 /nfs/dbraw/zinc/61/07/12/1194610712.db2.gz CGRUBJHDCJRFRS-UONOGXRCSA-N 1 1 390.444 0.237 20 5 GCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513802160 1194738520 /nfs/dbraw/zinc/73/85/20/1194738520.db2.gz IZOTXQAGHSLLHU-UHFFFAOYSA-N 1 1 393.425 0.694 20 5 GCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425057023 1194836764 /nfs/dbraw/zinc/83/67/64/1194836764.db2.gz LIBYNQNULZYVGV-XJKSGUPXSA-N 1 1 396.469 0.816 20 5 GCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425061306 1194836931 /nfs/dbraw/zinc/83/69/31/1194836931.db2.gz YQYHAPHSVCDCEP-XJKSGUPXSA-N 1 1 396.469 0.816 20 5 GCBDMO Cc1c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000425057682 1194836936 /nfs/dbraw/zinc/83/69/36/1194836936.db2.gz MXDJFTHNNUBZHG-XHDPSFHLSA-N 1 1 382.442 0.717 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435001508 1194881621 /nfs/dbraw/zinc/88/16/21/1194881621.db2.gz XNOXRVGXRMJCIC-OAHLLOKOSA-N 1 1 396.444 0.557 20 5 GCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000506062084 1195122239 /nfs/dbraw/zinc/12/22/39/1195122239.db2.gz VHEALJCDVZPZAC-UHFFFAOYSA-N 1 1 399.473 0.467 20 5 GCBDMO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000517403053 1195177254 /nfs/dbraw/zinc/17/72/54/1195177254.db2.gz PGQPGAVTGFTGPE-GFCCVEGCSA-N 1 1 382.442 0.616 20 5 GCBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000518137506 1195251865 /nfs/dbraw/zinc/25/18/65/1195251865.db2.gz HFIOSHZQRCITKC-LBPRGKRZSA-N 1 1 399.473 0.502 20 5 GCBDMO CN(c1c([N+](=O)[O-])ncn1C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000518318538 1195277729 /nfs/dbraw/zinc/27/77/29/1195277729.db2.gz GZNWQVOERBXHBF-UHFFFAOYSA-N 1 1 379.465 0.003 20 5 GCBDMO C[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000147487199 1195635352 /nfs/dbraw/zinc/63/53/52/1195635352.db2.gz STGFZXBSGDBALY-UHFFFAOYSA-N 1 1 398.485 0.756 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520764759 1195849089 /nfs/dbraw/zinc/84/90/89/1195849089.db2.gz DHKULKUKWSOSIQ-AWEZNQCLSA-N 1 1 387.400 0.245 20 5 GCBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000427797872 1195881132 /nfs/dbraw/zinc/88/11/32/1195881132.db2.gz LQGOTCLARSCENZ-BETUJISGSA-N 1 1 382.442 0.283 20 5 GCBDMO Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000442045965 1195948811 /nfs/dbraw/zinc/94/88/11/1195948811.db2.gz RAEWIMKEPDKUFN-QGZVFWFLSA-N 1 1 380.401 0.041 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000521690710 1196011174 /nfs/dbraw/zinc/01/11/74/1196011174.db2.gz UEFJOEFILKYREF-LBPRGKRZSA-N 1 1 386.430 0.222 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000521690710 1196011178 /nfs/dbraw/zinc/01/11/78/1196011178.db2.gz UEFJOEFILKYREF-LBPRGKRZSA-N 1 1 386.430 0.222 20 5 GCBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521735690 1196012983 /nfs/dbraw/zinc/01/29/83/1196012983.db2.gz YQUMHBNHHLMXNG-CYBMUJFWSA-N 1 1 399.473 0.514 20 5 GCBDMO C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247523 1196067523 /nfs/dbraw/zinc/06/75/23/1196067523.db2.gz VIBCPUHHZAXNOX-WBMJQRKESA-N 1 1 385.490 0.891 20 5 GCBDMO CC[N@@H+](CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000522412264 1196093602 /nfs/dbraw/zinc/09/36/02/1196093602.db2.gz ZGJVPPPHKLBHPL-UHFFFAOYSA-N 1 1 399.473 0.657 20 5 GCBDMO COC(=O)COc1ccc(C[NH2+]C[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000474360651 1196111478 /nfs/dbraw/zinc/11/14/78/1196111478.db2.gz YLLYWKILHDRPKN-AWEZNQCLSA-N 1 1 380.445 0.872 20 5 GCBDMO CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3CC[N@@H+]3C)c([N+](=O)[O-])c2)CC1 ZINC000895776556 1196111874 /nfs/dbraw/zinc/11/18/74/1196111874.db2.gz JSXRDFIONYUSKC-CYBMUJFWSA-N 1 1 383.474 0.647 20 5 GCBDMO CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3CC[N@H+]3C)c([N+](=O)[O-])c2)CC1 ZINC000895776556 1196111876 /nfs/dbraw/zinc/11/18/76/1196111876.db2.gz JSXRDFIONYUSKC-CYBMUJFWSA-N 1 1 383.474 0.647 20 5 GCBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000280863502 1196115014 /nfs/dbraw/zinc/11/50/14/1196115014.db2.gz DOIATDQUKDSEDH-QWHCGFSZSA-N 1 1 382.442 0.616 20 5 GCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000896235147 1196134727 /nfs/dbraw/zinc/13/47/27/1196134727.db2.gz KMUZFBKCKSCQQT-UHFFFAOYSA-N 1 1 391.428 0.485 20 5 GCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000896242764 1196137291 /nfs/dbraw/zinc/13/72/91/1196137291.db2.gz ZKGNXBRCNZBYGE-UHFFFAOYSA-N 1 1 391.428 0.485 20 5 GCBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000896237977 1196138572 /nfs/dbraw/zinc/13/85/72/1196138572.db2.gz RDULOCBCEGFPNZ-UHFFFAOYSA-N 1 1 391.428 0.729 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000474784090 1196149566 /nfs/dbraw/zinc/14/95/66/1196149566.db2.gz OCNNGPVHPSJQBQ-ZFWWWQNUSA-N 1 1 395.508 0.969 20 5 GCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896572534 1196168141 /nfs/dbraw/zinc/16/81/41/1196168141.db2.gz QDKPGURVVYPUOL-KBXCAEBGSA-N 1 1 391.472 0.796 20 5 GCBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469833485 1196186672 /nfs/dbraw/zinc/18/66/72/1196186672.db2.gz ZLEBDRCRXLBIAR-OAHLLOKOSA-N 1 1 384.458 0.963 20 5 GCBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469833485 1196186674 /nfs/dbraw/zinc/18/66/74/1196186674.db2.gz ZLEBDRCRXLBIAR-OAHLLOKOSA-N 1 1 384.458 0.963 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281498928 1196300642 /nfs/dbraw/zinc/30/06/42/1196300642.db2.gz ONZMMPWNUPPIPT-OLZOCXBDSA-N 1 1 394.428 0.389 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000281639484 1196317390 /nfs/dbraw/zinc/31/73/90/1196317390.db2.gz QOBDTTDKYBXENH-CHWSQXEVSA-N 1 1 394.428 0.247 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281762519 1196329580 /nfs/dbraw/zinc/32/95/80/1196329580.db2.gz LNGFYWHQXSMWNR-CQSZACIVSA-N 1 1 391.472 0.855 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000522975971 1196371239 /nfs/dbraw/zinc/37/12/39/1196371239.db2.gz YFPIBTUHIMVVJC-UHFFFAOYSA-N 1 1 390.400 0.449 20 5 GCBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186616059 1196470038 /nfs/dbraw/zinc/47/00/38/1196470038.db2.gz JBZBRFJNVBVCLY-INIZCTEOSA-N 1 1 398.423 0.817 20 5 GCBDMO CN(CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523127854 1196491903 /nfs/dbraw/zinc/49/19/03/1196491903.db2.gz JOPCHAWEGLNPGV-LBPRGKRZSA-N 1 1 382.442 0.568 20 5 GCBDMO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000440562912 1196522147 /nfs/dbraw/zinc/52/21/47/1196522147.db2.gz XNFKYPXQSFGBMU-MRXNPFEDSA-N 1 1 383.357 0.820 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000524300177 1196586696 /nfs/dbraw/zinc/58/66/96/1196586696.db2.gz FUUPGEFDONGTCH-AWEZNQCLSA-N 1 1 396.469 0.688 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000524300178 1196586860 /nfs/dbraw/zinc/58/68/60/1196586860.db2.gz FUUPGEFDONGTCH-CQSZACIVSA-N 1 1 396.469 0.688 20 5 GCBDMO C[C@](O)(CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000467507701 1196601694 /nfs/dbraw/zinc/60/16/94/1196601694.db2.gz HTGRBQVQTNRATG-SFHVURJKSA-N 1 1 389.412 0.594 20 5 GCBDMO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929468 1196607822 /nfs/dbraw/zinc/60/78/22/1196607822.db2.gz QYTBRUPVAICFBS-KOLCDFICSA-N 1 1 382.442 0.906 20 5 GCBDMO COC(=O)[C@@H](O)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000441249553 1196713070 /nfs/dbraw/zinc/71/30/70/1196713070.db2.gz XLMNSDQPNFFDDE-HOTGVXAUSA-N 1 1 377.397 0.946 20 5 GCBDMO C[C@@](O)(CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000447810203 1196751259 /nfs/dbraw/zinc/75/12/59/1196751259.db2.gz HFISITJSDBYXGD-LJQANCHMSA-N 1 1 394.472 0.922 20 5 GCBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000585725632 1196895648 /nfs/dbraw/zinc/89/56/48/1196895648.db2.gz ZFPFEXNALANLAU-NEPJUHHUSA-N 1 1 386.412 0.830 20 5 GCBDMO NC(=O)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccccc21 ZINC000451710718 1197011556 /nfs/dbraw/zinc/01/15/56/1197011556.db2.gz LROKWSWMFNNNPN-ZBFHGGJFSA-N 1 1 389.412 0.853 20 5 GCBDMO CCN1CC[NH+](CCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000530811850 1197018269 /nfs/dbraw/zinc/01/82/69/1197018269.db2.gz ZZEJPPVGBWLQGE-UHFFFAOYSA-N 1 1 376.461 0.666 20 5 GCBDMO CN(C)c1[nH+]cc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C ZINC000531201068 1197052685 /nfs/dbraw/zinc/05/26/85/1197052685.db2.gz XPSIRBAKYDGTKP-UHFFFAOYSA-N 1 1 388.432 0.821 20 5 GCBDMO NC(=O)c1ccc(SCC(=O)NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000452350868 1197053703 /nfs/dbraw/zinc/05/37/03/1197053703.db2.gz OZRFQATVZRUJED-CYBMUJFWSA-N 1 1 396.469 0.749 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452383099 1197055314 /nfs/dbraw/zinc/05/53/14/1197055314.db2.gz OFFMNHPYASVXRM-KGLIPLIRSA-N 1 1 382.465 0.790 20 5 GCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452365165 1197056089 /nfs/dbraw/zinc/05/60/89/1197056089.db2.gz NLTKKNRPRNZYFS-CQSZACIVSA-N 1 1 379.413 0.872 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452379262 1197058900 /nfs/dbraw/zinc/05/89/00/1197058900.db2.gz ZITZDOJJSXFMIM-CYBMUJFWSA-N 1 1 392.412 0.283 20 5 GCBDMO C[N@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520058693 1197059323 /nfs/dbraw/zinc/05/93/23/1197059323.db2.gz UALQTJCUGQWFHZ-UHFFFAOYSA-N 1 1 385.446 0.220 20 5 GCBDMO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000452577005 1197070178 /nfs/dbraw/zinc/07/01/78/1197070178.db2.gz HMQHFSNMKNSCEQ-LLVKDONJSA-N 1 1 382.442 0.799 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452793812 1197081954 /nfs/dbraw/zinc/08/19/54/1197081954.db2.gz HYVIXHRDQOTIPT-DZGCQCFKSA-N 1 1 378.429 0.676 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452793816 1197082078 /nfs/dbraw/zinc/08/20/78/1197082078.db2.gz HYVIXHRDQOTIPT-ZFWWWQNUSA-N 1 1 378.429 0.676 20 5 GCBDMO CCn1cc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000532858061 1197416684 /nfs/dbraw/zinc/41/66/84/1197416684.db2.gz BHMQRRKUHHBNCB-BETUJISGSA-N 1 1 389.478 0.979 20 5 GCBDMO CCn1cc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000532858061 1197416687 /nfs/dbraw/zinc/41/66/87/1197416687.db2.gz BHMQRRKUHHBNCB-BETUJISGSA-N 1 1 389.478 0.979 20 5 GCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000454699811 1197427190 /nfs/dbraw/zinc/42/71/90/1197427190.db2.gz XMMHUSHCJQGHGQ-UHFFFAOYSA-N 1 1 378.433 0.752 20 5 GCBDMO CS(=O)(=O)N1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000533224167 1197439486 /nfs/dbraw/zinc/43/94/86/1197439486.db2.gz XXWJIGSQHPUCQW-UHFFFAOYSA-N 1 1 398.441 0.860 20 5 GCBDMO CS(=O)(=O)N1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000533224167 1197439488 /nfs/dbraw/zinc/43/94/88/1197439488.db2.gz XXWJIGSQHPUCQW-UHFFFAOYSA-N 1 1 398.441 0.860 20 5 GCBDMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378870 1197448346 /nfs/dbraw/zinc/44/83/46/1197448346.db2.gz TWMVHEVDTORYHA-TZMCWYRMSA-N 1 1 390.444 0.588 20 5 GCBDMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378870 1197448350 /nfs/dbraw/zinc/44/83/50/1197448350.db2.gz TWMVHEVDTORYHA-TZMCWYRMSA-N 1 1 390.444 0.588 20 5 GCBDMO CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000533517899 1197456560 /nfs/dbraw/zinc/45/65/60/1197456560.db2.gz RAZWVCRWFVORCM-OAHLLOKOSA-N 1 1 390.444 0.603 20 5 GCBDMO CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000533517899 1197456562 /nfs/dbraw/zinc/45/65/62/1197456562.db2.gz RAZWVCRWFVORCM-OAHLLOKOSA-N 1 1 390.444 0.603 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895109 1197485103 /nfs/dbraw/zinc/48/51/03/1197485103.db2.gz OXAPOGQLYKZBBK-ZDUSSCGKSA-N 1 1 378.429 0.628 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895109 1197485106 /nfs/dbraw/zinc/48/51/06/1197485106.db2.gz OXAPOGQLYKZBBK-ZDUSSCGKSA-N 1 1 378.429 0.628 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895090 1197485116 /nfs/dbraw/zinc/48/51/16/1197485116.db2.gz OOMBCNSFKNHJLA-ZDUSSCGKSA-N 1 1 382.465 0.742 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895090 1197485118 /nfs/dbraw/zinc/48/51/18/1197485118.db2.gz OOMBCNSFKNHJLA-ZDUSSCGKSA-N 1 1 382.465 0.742 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000441976043 1197506152 /nfs/dbraw/zinc/50/61/52/1197506152.db2.gz KPKLGZAMSFJQJU-LBPRGKRZSA-N 1 1 377.401 0.237 20 5 GCBDMO CNc1nc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455667547 1197563097 /nfs/dbraw/zinc/56/30/97/1197563097.db2.gz XRALXRWXIOKCNO-CQSZACIVSA-N 1 1 376.417 0.410 20 5 GCBDMO C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000265724883 1199042267 /nfs/dbraw/zinc/04/22/67/1199042267.db2.gz NWDWFNDRDDJZIG-AWEZNQCLSA-N 1 1 378.429 0.799 20 5 GCBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922347598 1199737643 /nfs/dbraw/zinc/73/76/43/1199737643.db2.gz SGIYRWBQCJWZJO-INIZCTEOSA-N 1 1 391.472 0.920 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000123492246 1199787230 /nfs/dbraw/zinc/78/72/30/1199787230.db2.gz NWZRAXOQYNQPJW-UHFFFAOYSA-N 1 1 377.445 0.984 20 5 GCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330601200 1199858808 /nfs/dbraw/zinc/85/88/08/1199858808.db2.gz GGEPYEUXTLEKFL-CHWSQXEVSA-N 1 1 384.458 0.814 20 5 GCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000282430903 1199928801 /nfs/dbraw/zinc/92/88/01/1199928801.db2.gz IZJAVABMEOWXDD-CYBMUJFWSA-N 1 1 395.391 0.437 20 5 GCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000132490537 1199975613 /nfs/dbraw/zinc/97/56/13/1199975613.db2.gz BHNRLQUPXMTRMZ-UHFFFAOYSA-N 1 1 392.460 0.647 20 5 GCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000132490537 1199975618 /nfs/dbraw/zinc/97/56/18/1199975618.db2.gz BHNRLQUPXMTRMZ-UHFFFAOYSA-N 1 1 392.460 0.647 20 5 GCBDMO CN1CC[NH+](Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 ZINC000132651214 1199990324 /nfs/dbraw/zinc/99/03/24/1199990324.db2.gz RQRNOUTWCUCMRN-UHFFFAOYSA-N 1 1 399.451 0.820 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000172025104 1200252366 /nfs/dbraw/zinc/25/23/66/1200252366.db2.gz QAJJQGYMOGBZON-UHFFFAOYSA-N 1 1 386.412 0.674 20 5 GCBDMO CNc1nccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000594288623 1200735388 /nfs/dbraw/zinc/73/53/88/1200735388.db2.gz DQWMQUIQLGUUPO-AWEZNQCLSA-N 1 1 376.461 1.272 20 5 GCBDMO CNc1nccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000594288623 1200735397 /nfs/dbraw/zinc/73/53/97/1200735397.db2.gz DQWMQUIQLGUUPO-AWEZNQCLSA-N 1 1 376.461 1.272 20 5 GCBDMO CNc1nccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539400 1200740618 /nfs/dbraw/zinc/74/06/18/1200740618.db2.gz QVJNPQZSBYJFOZ-LSDHHAIUSA-N 1 1 385.424 1.397 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611165961 1201221173 /nfs/dbraw/zinc/22/11/73/1201221173.db2.gz NWJZCPCROXAIPY-CYBMUJFWSA-N 1 1 378.429 0.628 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000731598073 1201489595 /nfs/dbraw/zinc/48/95/95/1201489595.db2.gz LOUJGANPNSEPKQ-UHFFFAOYSA-N 1 1 394.428 0.548 20 5 GCBDMO CCOCC[NH+]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000732180375 1201527159 /nfs/dbraw/zinc/52/71/59/1201527159.db2.gz IABCMDNEDLWHIL-UHFFFAOYSA-N 1 1 391.428 0.975 20 5 GCBDMO C[N@H+]1CCC[C@H](N2CCN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)C1 ZINC000738209427 1201735442 /nfs/dbraw/zinc/73/54/42/1201735442.db2.gz BFLJOFGPWPESPG-HNNXBMFYSA-N 1 1 387.440 0.860 20 5 GCBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001169030358 1201930503 /nfs/dbraw/zinc/93/05/03/1201930503.db2.gz YZJZKKTWLOIYHK-SOLBZPMBSA-N 1 1 377.445 0.830 20 5 GCBDMO Cn1ccnc1C(=O)N[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@@H]21 ZINC001169030140 1201930755 /nfs/dbraw/zinc/93/07/55/1201930755.db2.gz WVFGPSNDXSGJQT-ZVDSWSACSA-N 1 1 377.445 0.827 20 5 GCBDMO O=C(N[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC001169020096 1201931142 /nfs/dbraw/zinc/93/11/42/1201931142.db2.gz IDSMBNPXNIDFON-DRBLLZIRSA-N 1 1 375.429 0.884 20 5 GCBDMO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169023966 1201931551 /nfs/dbraw/zinc/93/15/51/1201931551.db2.gz WFTNWBPDZSFZTF-ZFWWWQNUSA-N 1 1 393.444 0.157 20 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COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000771759114 1202160731 /nfs/dbraw/zinc/16/07/31/1202160731.db2.gz KXYQQGUJOVUPPB-BDJLRTHQSA-N 1 1 381.385 0.630 20 5 GCBDMO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]21 ZINC001170339873 1205491132 /nfs/dbraw/zinc/49/11/32/1205491132.db2.gz KIAFPOWFPMCBDR-VHSSKADRSA-N 1 1 392.456 0.665 20 5 GCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]21 ZINC001170339873 1205491133 /nfs/dbraw/zinc/49/11/33/1205491133.db2.gz KIAFPOWFPMCBDR-VHSSKADRSA-N 1 1 392.456 0.665 20 5 GCBDMO CC[N@@H+](CCC(N)=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698704 1205726914 /nfs/dbraw/zinc/72/69/14/1205726914.db2.gz MCHPNCLARDLOGG-UHFFFAOYSA-N 1 1 384.458 0.945 20 5 GCBDMO CC(=O)N[C@H]1CC[N@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173699495 1205727061 /nfs/dbraw/zinc/72/70/61/1205727061.db2.gz OGIFGLUAJUHPPG-AWEZNQCLSA-N 1 1 396.469 0.958 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164719242 720215463 /nfs/dbraw/zinc/21/54/63/720215463.db2.gz PIOXEWCTJUHBTE-GOSISDBHSA-N 1 1 377.445 0.963 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(C)n3)C2)C1 ZINC001164719242 720215473 /nfs/dbraw/zinc/21/54/73/720215473.db2.gz PIOXEWCTJUHBTE-GOSISDBHSA-N 1 1 377.445 0.963 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851950 720855195 /nfs/dbraw/zinc/85/51/95/720855195.db2.gz BGAIWZQGRBQQKR-UONOGXRCSA-N 1 1 381.433 0.875 20 5 GCBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1 ZINC001164873526 721278024 /nfs/dbraw/zinc/27/80/24/721278024.db2.gz NXASDXSOOKNWOJ-UHFFFAOYSA-N 1 1 392.460 0.579 20 5 GCBDMO Cc1ncc([N+](=O)[O-])c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997221 722232791 /nfs/dbraw/zinc/23/27/91/722232791.db2.gz OCNAEANJAMQRDU-UHFFFAOYSA-N 1 1 384.444 0.840 20 5 GCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000274367197 530316139 /nfs/dbraw/zinc/31/61/39/530316139.db2.gz FRMAKKHEHHNMJE-UHFFFAOYSA-N 1 1 396.263 0.950 20 5 GCBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000574916043 530569091 /nfs/dbraw/zinc/56/90/91/530569091.db2.gz VJOSJZMHBMOKNH-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)C[C@@H](C)O1 ZINC000414134350 530589947 /nfs/dbraw/zinc/58/99/47/530589947.db2.gz CKAVFSGHGMGPJN-CKYFFXLPSA-N 1 1 390.234 0.989 20 5 GCBDMO Cc1sc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000467398309 530915061 /nfs/dbraw/zinc/91/50/61/530915061.db2.gz HERKKFVKRIKZHM-SNVBAGLBSA-N 1 1 376.460 0.583 20 5 GCBDMO Cc1sc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000467398309 530915062 /nfs/dbraw/zinc/91/50/62/530915062.db2.gz HERKKFVKRIKZHM-SNVBAGLBSA-N 1 1 376.460 0.583 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416451085 531031196 /nfs/dbraw/zinc/03/11/96/531031196.db2.gz ATDREOLIRQTUTL-LBPRGKRZSA-N 1 1 383.348 0.959 20 5 GCBDMO NC(=O)C[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000737752063 599265495 /nfs/dbraw/zinc/26/54/95/599265495.db2.gz DQFIABLXZPOKFI-UHFFFAOYSA-N 1 1 397.399 0.685 20 5 GCBDMO Cn1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000737601350 598502562 /nfs/dbraw/zinc/50/25/62/598502562.db2.gz HYXWTJCSRLRQBK-UHFFFAOYSA-N 1 1 384.404 0.616 20 5 GCBDMO CC[NH+](CC)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825412548 607573638 /nfs/dbraw/zinc/57/36/38/607573638.db2.gz RGWFCTAXMQVCCE-UHFFFAOYSA-N 1 1 383.434 0.785 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826500068 607587979 /nfs/dbraw/zinc/58/79/79/607587979.db2.gz JZMKUOLTAPSCSH-SNVBAGLBSA-N 1 1 393.429 0.538 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826500068 607587982 /nfs/dbraw/zinc/58/79/82/607587982.db2.gz JZMKUOLTAPSCSH-SNVBAGLBSA-N 1 1 393.429 0.538 20 5 GCBDMO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000824427092 607591609 /nfs/dbraw/zinc/59/16/09/607591609.db2.gz LFPCHMFCFLBPNW-LLVKDONJSA-N 1 1 395.445 0.785 20 5 GCBDMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999192 607614733 /nfs/dbraw/zinc/61/47/33/607614733.db2.gz DLEXJPUMIQGEIJ-QWRGUYRKSA-N 1 1 393.429 0.632 20 5 GCBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999192 607614734 /nfs/dbraw/zinc/61/47/34/607614734.db2.gz DLEXJPUMIQGEIJ-QWRGUYRKSA-N 1 1 393.429 0.632 20 5 GCBDMO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825860641 607673540 /nfs/dbraw/zinc/67/35/40/607673540.db2.gz VAFTZEWXODRWIJ-JTQLQIEISA-N 1 1 381.418 0.490 20 5 GCBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)n1 ZINC000823648611 606186429 /nfs/dbraw/zinc/18/64/29/606186429.db2.gz YQZWHADOGFDJRW-UHFFFAOYSA-N 1 1 387.379 0.933 20 5 GCBDMO C[N@H+]1CCO[C@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000821628313 606727487 /nfs/dbraw/zinc/72/74/87/606727487.db2.gz FXRLWRRRCSMRLI-GJZGRUSLSA-N 1 1 382.384 0.842 20 5 GCBDMO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821268054 606736069 /nfs/dbraw/zinc/73/60/69/606736069.db2.gz SAGXLEJYNLNKJT-LLVKDONJSA-N 1 1 395.445 0.880 20 5 GCBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821268054 606736071 /nfs/dbraw/zinc/73/60/71/606736071.db2.gz SAGXLEJYNLNKJT-LLVKDONJSA-N 1 1 395.445 0.880 20 5 GCBDMO C[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000899732981 639274877 /nfs/dbraw/zinc/27/48/77/639274877.db2.gz QJIRMUGILKMBPT-UHFFFAOYSA-N 1 1 393.181 0.853 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000128544831 1192280257 /nfs/dbraw/zinc/28/02/57/1192280257.db2.gz JGVFKQLWSACHNG-OAHLLOKOSA-N 1 1 385.428 0.846 20 5 GCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278913623 1192356548 /nfs/dbraw/zinc/35/65/48/1192356548.db2.gz QSKCGWOINKLEBX-GJZGRUSLSA-N 1 1 399.469 0.834 20 5 GCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278913623 1192356553 /nfs/dbraw/zinc/35/65/53/1192356553.db2.gz QSKCGWOINKLEBX-GJZGRUSLSA-N 1 1 399.469 0.834 20 5 GCBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000569314409 1192385498 /nfs/dbraw/zinc/38/54/98/1192385498.db2.gz RTBADJKCBQSOSR-ZDUSSCGKSA-N 1 1 399.473 0.609 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718771 1192396946 /nfs/dbraw/zinc/39/69/46/1192396946.db2.gz XMHZTODFECCOFE-ROUUACIJSA-N 1 1 376.413 0.806 20 5 GCBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512133069 1192467291 /nfs/dbraw/zinc/46/72/91/1192467291.db2.gz XPEFYLVCKGJUQJ-RYUDHWBXSA-N 1 1 399.473 0.595 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000279852096 1192612090 /nfs/dbraw/zinc/61/20/90/1192612090.db2.gz ILUCFLUGLJFMFY-UHFFFAOYSA-N 1 1 397.457 0.434 20 5 GCBDMO C[N@H+]1C[C@H]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893939969 1192880499 /nfs/dbraw/zinc/88/04/99/1192880499.db2.gz LHCFZRRTINPVDZ-DYVFJYSZSA-N 1 1 396.469 0.756 20 5 GCBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000046971125 1192903907 /nfs/dbraw/zinc/90/39/07/1192903907.db2.gz BTYOLWYHZFDVSW-UHFFFAOYSA-N 1 1 390.440 0.986 20 5 GCBDMO [NH3+]CC(F)(F)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000573501305 1192904301 /nfs/dbraw/zinc/90/43/01/1192904301.db2.gz DZTRBEXEAGAKLC-UHFFFAOYSA-N 1 1 392.384 0.412 20 5 GCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000274536659 1184090925 /nfs/dbraw/zinc/09/09/25/1184090925.db2.gz SGKFTMUJGFXBTQ-UHFFFAOYSA-N 1 1 399.473 0.609 20 5 GCBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579716949 1184104390 /nfs/dbraw/zinc/10/43/90/1184104390.db2.gz WPWIMEKGISAYNB-UHFFFAOYSA-N 1 1 396.469 0.579 20 5 GCBDMO NC(=O)c1ccc(SCC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000547734202 1184445842 /nfs/dbraw/zinc/44/58/42/1184445842.db2.gz QJAPRSSSNWPMLH-UHFFFAOYSA-N 1 1 390.425 0.858 20 5 GCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(N)cc2OC)CC1 ZINC000784950969 1184463768 /nfs/dbraw/zinc/46/37/68/1184463768.db2.gz PBYGIFURFPTURN-LLVKDONJSA-N 1 1 380.401 0.895 20 5 GCBDMO COc1c(F)cc(S(=O)(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000275129205 1184527905 /nfs/dbraw/zinc/52/79/05/1184527905.db2.gz BNOIBUKETSLPBK-UHFFFAOYSA-N 1 1 399.404 0.987 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275528240 1184699209 /nfs/dbraw/zinc/69/92/09/1184699209.db2.gz FHKLDNFQASOKMX-CQSZACIVSA-N 1 1 392.456 0.937 20 5 GCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000430422464 1184712429 /nfs/dbraw/zinc/71/24/29/1184712429.db2.gz DNWSCZAXSADQFB-VXGBXAGGSA-N 1 1 396.469 0.699 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000430422464 1184712435 /nfs/dbraw/zinc/71/24/35/1184712435.db2.gz DNWSCZAXSADQFB-VXGBXAGGSA-N 1 1 396.469 0.699 20 5 GCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000430422463 1184712497 /nfs/dbraw/zinc/71/24/97/1184712497.db2.gz DNWSCZAXSADQFB-RYUDHWBXSA-N 1 1 396.469 0.699 20 5 GCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000430422463 1184712501 /nfs/dbraw/zinc/71/25/01/1184712501.db2.gz DNWSCZAXSADQFB-RYUDHWBXSA-N 1 1 396.469 0.699 20 5 GCBDMO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000047699881 1184981916 /nfs/dbraw/zinc/98/19/16/1184981916.db2.gz CDLSURRAECTMIV-CYBMUJFWSA-N 1 1 385.442 0.946 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275773200 1185044644 /nfs/dbraw/zinc/04/46/44/1185044644.db2.gz HKAFSGRTCYBKIR-LBPRGKRZSA-N 1 1 386.474 0.784 20 5 GCBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001648908906 1185062294 /nfs/dbraw/zinc/06/22/94/1185062294.db2.gz UIDURQQIXQBREP-QFBILLFUSA-N 1 1 391.424 0.900 20 5 GCBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001648908906 1185062305 /nfs/dbraw/zinc/06/23/05/1185062305.db2.gz UIDURQQIXQBREP-QFBILLFUSA-N 1 1 391.424 0.900 20 5 GCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261722356 1185245109 /nfs/dbraw/zinc/24/51/09/1185245109.db2.gz LSAFMMLYCGKBHK-CQSZACIVSA-N 1 1 387.396 0.815 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000275950344 1185330590 /nfs/dbraw/zinc/33/05/90/1185330590.db2.gz QWXMJCRHMFWEMY-GFCCVEGCSA-N 1 1 394.428 0.846 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000275950344 1185330616 /nfs/dbraw/zinc/33/06/16/1185330616.db2.gz QWXMJCRHMFWEMY-GFCCVEGCSA-N 1 1 394.428 0.846 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000187387306 1185507275 /nfs/dbraw/zinc/50/72/75/1185507275.db2.gz QNAPDPNJSYNWLR-AWEZNQCLSA-N 1 1 377.445 0.984 20 5 GCBDMO NS(=O)(=O)c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489231 1185554129 /nfs/dbraw/zinc/55/41/29/1185554129.db2.gz RCMAOEFRGCRNEJ-CYBMUJFWSA-N 1 1 384.458 0.933 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276773176 1186041593 /nfs/dbraw/zinc/04/15/93/1186041593.db2.gz YPKNKADCBCZFPC-KBPBESRZSA-N 1 1 378.429 0.547 20 5 GCBDMO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000276804773 1186076039 /nfs/dbraw/zinc/07/60/39/1186076039.db2.gz DAQMSNFETQEJRR-GFCCVEGCSA-N 1 1 378.385 0.839 20 5 GCBDMO CCOc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000276986006 1186216564 /nfs/dbraw/zinc/21/65/64/1186216564.db2.gz ZDRULXJMBRUICT-GOEBONIOSA-N 1 1 399.469 0.581 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000610912370 1186258903 /nfs/dbraw/zinc/25/89/03/1186258903.db2.gz AZVROCAFJMKFID-GWCFXTLKSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000610912370 1186258908 /nfs/dbraw/zinc/25/89/08/1186258908.db2.gz AZVROCAFJMKFID-GWCFXTLKSA-N 1 1 376.369 0.026 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909445 1186258930 /nfs/dbraw/zinc/25/89/30/1186258930.db2.gz PRRKTUFYVGVADV-ABAIWWIYSA-N 1 1 380.401 0.629 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909445 1186258934 /nfs/dbraw/zinc/25/89/34/1186258934.db2.gz PRRKTUFYVGVADV-ABAIWWIYSA-N 1 1 380.401 0.629 20 5 GCBDMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262496281 1186301676 /nfs/dbraw/zinc/30/16/76/1186301676.db2.gz HBZFAKKSQUVPPR-ZDUSSCGKSA-N 1 1 399.407 0.885 20 5 GCBDMO COc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])cc1OC ZINC000262565242 1186306791 /nfs/dbraw/zinc/30/67/91/1186306791.db2.gz ZZDGOFRBXGLVED-GFCCVEGCSA-N 1 1 392.412 0.648 20 5 GCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1C ZINC000563153141 1186312700 /nfs/dbraw/zinc/31/27/00/1186312700.db2.gz IWOQRQACBYMLDA-UONOGXRCSA-N 1 1 390.440 0.393 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1C ZINC000563153141 1186312706 /nfs/dbraw/zinc/31/27/06/1186312706.db2.gz IWOQRQACBYMLDA-UONOGXRCSA-N 1 1 390.440 0.393 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000263688333 1186463123 /nfs/dbraw/zinc/46/31/23/1186463123.db2.gz IHHYKBCXODRZFX-CYBMUJFWSA-N 1 1 381.408 0.989 20 5 GCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263703069 1186466404 /nfs/dbraw/zinc/46/64/04/1186466404.db2.gz OYJIDTXLBQTMRZ-AWEZNQCLSA-N 1 1 380.449 0.549 20 5 GCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000061159185 1186701865 /nfs/dbraw/zinc/70/18/65/1186701865.db2.gz GUGPFPMFNHETSH-AWEZNQCLSA-N 1 1 378.433 0.255 20 5 GCBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@H+](C)CC1 ZINC000888988944 1186867867 /nfs/dbraw/zinc/86/78/67/1186867867.db2.gz WCOXEYOQKDEPSK-UHFFFAOYSA-N 1 1 382.486 0.999 20 5 GCBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@@H+](C)CC1 ZINC000888988944 1186867871 /nfs/dbraw/zinc/86/78/71/1186867871.db2.gz WCOXEYOQKDEPSK-UHFFFAOYSA-N 1 1 382.486 0.999 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888991017 1186902193 /nfs/dbraw/zinc/90/21/93/1186902193.db2.gz MMXAXXIOULGFJZ-CQSZACIVSA-N 1 1 381.481 0.533 20 5 GCBDMO C[C@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1=CC[N@@H+](C)CC1 ZINC000584140610 1187004830 /nfs/dbraw/zinc/00/48/30/1187004830.db2.gz PDIHTSPZZHATED-ZDUSSCGKSA-N 1 1 390.444 0.721 20 5 GCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278754072 1187048626 /nfs/dbraw/zinc/04/86/26/1187048626.db2.gz BCBHORBQPHFYDO-JKSUJKDBSA-N 1 1 399.469 0.834 20 5 GCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278754072 1187048629 /nfs/dbraw/zinc/04/86/29/1187048629.db2.gz BCBHORBQPHFYDO-JKSUJKDBSA-N 1 1 399.469 0.834 20 5 GCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000364422384 1187441726 /nfs/dbraw/zinc/44/17/26/1187441726.db2.gz SYIKWXNUIUIVEC-CYBMUJFWSA-N 1 1 382.442 0.488 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895710 1187451140 /nfs/dbraw/zinc/45/11/40/1187451140.db2.gz YNMPFFHCSKHHSR-UHFFFAOYSA-N 1 1 394.428 0.248 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364986401 1187478171 /nfs/dbraw/zinc/47/81/71/1187478171.db2.gz SKKNXNZXLQFMSM-QWHCGFSZSA-N 1 1 399.425 0.523 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364986401 1187478172 /nfs/dbraw/zinc/47/81/72/1187478172.db2.gz SKKNXNZXLQFMSM-QWHCGFSZSA-N 1 1 399.425 0.523 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364986402 1187478227 /nfs/dbraw/zinc/47/82/27/1187478227.db2.gz SKKNXNZXLQFMSM-STQMWFEESA-N 1 1 399.425 0.523 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364986402 1187478229 /nfs/dbraw/zinc/47/82/29/1187478229.db2.gz SKKNXNZXLQFMSM-STQMWFEESA-N 1 1 399.425 0.523 20 5 GCBDMO COCC(COC)[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000411863137 1187528073 /nfs/dbraw/zinc/52/80/73/1187528073.db2.gz QDWSSEKJIXTGAX-GOSISDBHSA-N 1 1 392.456 0.979 20 5 GCBDMO COC(=O)c1cc(C)nc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000376086622 1187595100 /nfs/dbraw/zinc/59/51/00/1187595100.db2.gz ALUNYYPUOSVGCG-AWEZNQCLSA-N 1 1 391.428 0.828 20 5 GCBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000580430786 1187682980 /nfs/dbraw/zinc/68/29/80/1187682980.db2.gz WQVPOKZWRXOSLC-OAHLLOKOSA-N 1 1 396.469 0.363 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000582667397 1187776661 /nfs/dbraw/zinc/77/66/61/1187776661.db2.gz NBUQAEPDRBXNLA-OAHLLOKOSA-N 1 1 386.412 0.540 20 5 GCBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000549097248 1187927093 /nfs/dbraw/zinc/92/70/93/1187927093.db2.gz ARJXDLRSRBIGHX-UHFFFAOYSA-N 1 1 398.485 0.756 20 5 GCBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000189443815 1187942224 /nfs/dbraw/zinc/94/22/24/1187942224.db2.gz YASOGWSAYRGZDD-CYBMUJFWSA-N 1 1 385.490 0.928 20 5 GCBDMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000122268164 1188005833 /nfs/dbraw/zinc/00/58/33/1188005833.db2.gz XOEWUWNKYGXJFC-PNBKFKSVSA-N 1 1 379.461 0.946 20 5 GCBDMO NC(=O)c1ccnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000290485784 1189411762 /nfs/dbraw/zinc/41/17/62/1189411762.db2.gz INIBXGWGOZRWRQ-UHFFFAOYSA-N 1 1 386.416 0.503 20 5 GCBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053218984 1189626906 /nfs/dbraw/zinc/62/69/06/1189626906.db2.gz DCNBVAPDLLFMJM-AWEZNQCLSA-N 1 1 384.458 0.988 20 5 GCBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053218984 1189626910 /nfs/dbraw/zinc/62/69/10/1189626910.db2.gz DCNBVAPDLLFMJM-AWEZNQCLSA-N 1 1 384.458 0.988 20 5 GCBDMO CC[C@H](C(=O)OC)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000511608069 1189628655 /nfs/dbraw/zinc/62/86/55/1189628655.db2.gz BEKLVFMDMUSMBJ-NVXWUHKLSA-N 1 1 381.429 0.904 20 5 GCBDMO COc1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000417204246 1189631814 /nfs/dbraw/zinc/63/18/14/1189631814.db2.gz ZYKAOHOFRNDHAY-AWEZNQCLSA-N 1 1 391.428 0.709 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419349695 1193844373 /nfs/dbraw/zinc/84/43/73/1193844373.db2.gz DQMWFISNPCPZFP-AWEZNQCLSA-N 1 1 378.385 0.677 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000419364387 1193867318 /nfs/dbraw/zinc/86/73/18/1193867318.db2.gz WJJZEBPWZFLVDH-HNNXBMFYSA-N 1 1 392.412 0.985 20 5 GCBDMO C[NH2+][C@@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262008635 1193935405 /nfs/dbraw/zinc/93/54/05/1193935405.db2.gz BSNGVOCHGKLKKP-MRXNPFEDSA-N 1 1 377.401 0.965 20 5 GCBDMO CC(C)c1n[nH]c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000433767249 1193943941 /nfs/dbraw/zinc/94/39/41/1193943941.db2.gz UTTVQUHLWJTMQZ-UHFFFAOYSA-N 1 1 378.433 0.822 20 5 GCBDMO CS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000513441059 1193952329 /nfs/dbraw/zinc/95/23/29/1193952329.db2.gz VNDNCVZUSNDVKJ-CYBMUJFWSA-N 1 1 397.453 0.793 20 5 GCBDMO CS(=O)(=O)c1cccc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000420248748 1194215846 /nfs/dbraw/zinc/21/58/46/1194215846.db2.gz WPJRGOSVTITEAE-LBPRGKRZSA-N 1 1 382.442 0.399 20 5 GCBDMO CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420261928 1194218683 /nfs/dbraw/zinc/21/86/83/1194218683.db2.gz QHDVSDWEPPAYBC-ZIAGYGMSSA-N 1 1 397.501 0.480 20 5 GCBDMO CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420261926 1194218770 /nfs/dbraw/zinc/21/87/70/1194218770.db2.gz QHDVSDWEPPAYBC-KGLIPLIRSA-N 1 1 397.501 0.480 20 5 GCBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000420579221 1194242550 /nfs/dbraw/zinc/24/25/50/1194242550.db2.gz AUEDKXOTAVGEJK-UHFFFAOYSA-N 1 1 375.429 0.828 20 5 GCBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000420579221 1194242559 /nfs/dbraw/zinc/24/25/59/1194242559.db2.gz AUEDKXOTAVGEJK-UHFFFAOYSA-N 1 1 375.429 0.828 20 5 GCBDMO CN(C)CCNS(=O)(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000420640872 1194253008 /nfs/dbraw/zinc/25/30/08/1194253008.db2.gz TVLZDGVVYIJVRR-AWEZNQCLSA-N 1 1 399.517 0.965 20 5 GCBDMO CN(C)CCNS(=O)(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420640872 1194253011 /nfs/dbraw/zinc/25/30/11/1194253011.db2.gz TVLZDGVVYIJVRR-AWEZNQCLSA-N 1 1 399.517 0.965 20 5 GCBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000502025962 1194257046 /nfs/dbraw/zinc/25/70/46/1194257046.db2.gz GQQPIKOVPCJZFJ-NEPJUHHUSA-N 1 1 380.401 0.649 20 5 GCBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420976946 1194280703 /nfs/dbraw/zinc/28/07/03/1194280703.db2.gz UILMPVAYUNPQGZ-IYBDPMFKSA-N 1 1 398.485 0.668 20 5 GCBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420976946 1194280706 /nfs/dbraw/zinc/28/07/06/1194280706.db2.gz UILMPVAYUNPQGZ-IYBDPMFKSA-N 1 1 398.485 0.668 20 5 GCBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420976946 1194280712 /nfs/dbraw/zinc/28/07/12/1194280712.db2.gz UILMPVAYUNPQGZ-IYBDPMFKSA-N 1 1 398.485 0.668 20 5 GCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420976946 1194280716 /nfs/dbraw/zinc/28/07/16/1194280716.db2.gz UILMPVAYUNPQGZ-IYBDPMFKSA-N 1 1 398.485 0.668 20 5 GCBDMO C[C@@H]1COCCN1CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979072 1194280955 /nfs/dbraw/zinc/28/09/55/1194280955.db2.gz YRGZHXFOEGJXFB-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@@H]1COCCN1CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979072 1194280959 /nfs/dbraw/zinc/28/09/59/1194280959.db2.gz YRGZHXFOEGJXFB-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@@H]1COCC[N@@H+]1CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979072 1194280962 /nfs/dbraw/zinc/28/09/62/1194280962.db2.gz YRGZHXFOEGJXFB-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@@H]1COCC[N@H+]1CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979072 1194280964 /nfs/dbraw/zinc/28/09/64/1194280964.db2.gz YRGZHXFOEGJXFB-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+](C)C1 ZINC000413900271 1194357873 /nfs/dbraw/zinc/35/78/73/1194357873.db2.gz ZCWALDMIUCIULQ-AWEZNQCLSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+](C)C1 ZINC000413900271 1194357877 /nfs/dbraw/zinc/35/78/77/1194357877.db2.gz ZCWALDMIUCIULQ-AWEZNQCLSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc([N+](=O)[O-])c1 ZINC000413899110 1194357887 /nfs/dbraw/zinc/35/78/87/1194357887.db2.gz CGSNRQUHMUDHJM-CYBMUJFWSA-N 1 1 379.369 0.558 20 5 GCBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc([N+](=O)[O-])c1 ZINC000413899110 1194357891 /nfs/dbraw/zinc/35/78/91/1194357891.db2.gz CGSNRQUHMUDHJM-CYBMUJFWSA-N 1 1 379.369 0.558 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+](C)C1 ZINC000413923618 1194362929 /nfs/dbraw/zinc/36/29/29/1194362929.db2.gz RLSUQOBGBLDELO-ZDUSSCGKSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+](C)C1 ZINC000413923618 1194362931 /nfs/dbraw/zinc/36/29/31/1194362931.db2.gz RLSUQOBGBLDELO-ZDUSSCGKSA-N 1 1 387.396 0.957 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422017441 1194379019 /nfs/dbraw/zinc/37/90/19/1194379019.db2.gz HUPJNOMHLIWLAX-CQSZACIVSA-N 1 1 384.458 0.816 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000422100761 1194385400 /nfs/dbraw/zinc/38/54/00/1194385400.db2.gz LNUAWEQRODQBET-QGZVFWFLSA-N 1 1 389.456 0.796 20 5 GCBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000503162405 1194400382 /nfs/dbraw/zinc/40/03/82/1194400382.db2.gz OOKMTJPTBDIZJA-HNNXBMFYSA-N 1 1 384.458 0.864 20 5 GCBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000422152960 1194400614 /nfs/dbraw/zinc/40/06/14/1194400614.db2.gz AMKXNEGHEUZIBM-UHFFFAOYSA-N 1 1 399.473 0.609 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273703723 1194584827 /nfs/dbraw/zinc/58/48/27/1194584827.db2.gz OFSIRIPIRVNIJW-MRXNPFEDSA-N 1 1 398.485 0.957 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273703723 1194584830 /nfs/dbraw/zinc/58/48/30/1194584830.db2.gz OFSIRIPIRVNIJW-MRXNPFEDSA-N 1 1 398.485 0.957 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422984781 1194715496 /nfs/dbraw/zinc/71/54/96/1194715496.db2.gz ZDZZNAMZLHCFCJ-ZBFHGGJFSA-N 1 1 384.458 0.230 20 5 GCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425068728 1194840923 /nfs/dbraw/zinc/84/09/23/1194840923.db2.gz UIWUPHDCKFUKLZ-GXTWGEPZSA-N 1 1 382.442 0.426 20 5 GCBDMO CC(=O)N1CCN(c2ccc(C(=O)NCC[NH+]3CCC3)cc2[N+](=O)[O-])CC1 ZINC000505419588 1194844273 /nfs/dbraw/zinc/84/42/73/1194844273.db2.gz GVVVKTMMCDALME-UHFFFAOYSA-N 1 1 375.429 0.699 20 5 GCBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H](O)CN1CCOCC1 ZINC000434988073 1194881739 /nfs/dbraw/zinc/88/17/39/1194881739.db2.gz QKHCWYGGGGHYAQ-HNNXBMFYSA-N 1 1 394.428 0.518 20 5 GCBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000505637203 1194904356 /nfs/dbraw/zinc/90/43/56/1194904356.db2.gz RWLGLXIOLGMLHC-INIZCTEOSA-N 1 1 382.442 0.800 20 5 GCBDMO Cn1cc(CN2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000436104787 1194985020 /nfs/dbraw/zinc/98/50/20/1194985020.db2.gz CARQFGGANJBEBM-QGZVFWFLSA-N 1 1 375.429 0.886 20 5 GCBDMO COCC[N@H+]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048426849 1195098178 /nfs/dbraw/zinc/09/81/78/1195098178.db2.gz SJROQLGOCGMRRH-CQSZACIVSA-N 1 1 378.429 0.894 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000517090731 1195135433 /nfs/dbraw/zinc/13/54/33/1195135433.db2.gz PWZGIQDGKAMUJF-CQSZACIVSA-N 1 1 392.460 0.893 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000517090728 1195135461 /nfs/dbraw/zinc/13/54/61/1195135461.db2.gz PWZGIQDGKAMUJF-AWEZNQCLSA-N 1 1 392.460 0.893 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000438687972 1195236796 /nfs/dbraw/zinc/23/67/96/1195236796.db2.gz OPIINKLTGRBONQ-UHFFFAOYSA-N 1 1 380.401 0.172 20 5 GCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000894959205 1195637916 /nfs/dbraw/zinc/63/79/16/1195637916.db2.gz WICFVYHDXJJQME-UHFFFAOYSA-N 1 1 375.429 0.697 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000442046058 1195948673 /nfs/dbraw/zinc/94/86/73/1195948673.db2.gz RKCYNPKQKIYRRG-KRWDZBQOSA-N 1 1 380.401 0.041 20 5 GCBDMO C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247521 1196067876 /nfs/dbraw/zinc/06/78/76/1196067876.db2.gz VIBCPUHHZAXNOX-LRDDRELGSA-N 1 1 385.490 0.891 20 5 GCBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000280863491 1196115144 /nfs/dbraw/zinc/11/51/44/1196115144.db2.gz DOIATDQUKDSEDH-CHWSQXEVSA-N 1 1 382.442 0.616 20 5 GCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000896230482 1196136326 /nfs/dbraw/zinc/13/63/26/1196136326.db2.gz ZCSUWTNAUMYZLE-UHFFFAOYSA-N 1 1 393.419 0.788 20 5 GCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000896238027 1196138602 /nfs/dbraw/zinc/13/86/02/1196138602.db2.gz SSSPJQIHRKLDDZ-UHFFFAOYSA-N 1 1 379.392 0.859 20 5 GCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280908602 1196265448 /nfs/dbraw/zinc/26/54/48/1196265448.db2.gz IHUNWFCDIKEGCD-CHWSQXEVSA-N 1 1 384.458 0.672 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000281191097 1196282799 /nfs/dbraw/zinc/28/27/99/1196282799.db2.gz KGZOAKKCRXLELX-RYUDHWBXSA-N 1 1 382.442 0.615 20 5 GCBDMO C[N@H+]1CCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1(C)C ZINC000281638505 1196317099 /nfs/dbraw/zinc/31/70/99/1196317099.db2.gz AHJLFDNVOIQBPA-UHFFFAOYSA-N 1 1 387.444 0.931 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000281661655 1196319520 /nfs/dbraw/zinc/31/95/20/1196319520.db2.gz KEBUMRPGUBONNJ-GFCCVEGCSA-N 1 1 380.401 0.769 20 5 GCBDMO CN1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897097252 1196392299 /nfs/dbraw/zinc/39/22/99/1196392299.db2.gz LOUUUTBWKFSDPI-UHFFFAOYSA-N 1 1 391.472 0.751 20 5 GCBDMO COc1cccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000444345186 1196411727 /nfs/dbraw/zinc/41/17/27/1196411727.db2.gz ZNVHQRXRGJMGFB-UHFFFAOYSA-N 1 1 380.445 0.723 20 5 GCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000444381485 1196452594 /nfs/dbraw/zinc/45/25/94/1196452594.db2.gz KQKRSJSHYYZVMU-OLZOCXBDSA-N 1 1 396.469 0.786 20 5 GCBDMO C[C@@](O)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000467499212 1196569733 /nfs/dbraw/zinc/56/97/33/1196569733.db2.gz PRYXVCBEWCXKGI-GOSISDBHSA-N 1 1 378.429 0.982 20 5 GCBDMO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929465 1196607855 /nfs/dbraw/zinc/60/78/55/1196607855.db2.gz QYTBRUPVAICFBS-GXSJLCMTSA-N 1 1 382.442 0.906 20 5 GCBDMO C[C@](O)(CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCOCC1 ZINC000446909353 1196682292 /nfs/dbraw/zinc/68/22/92/1196682292.db2.gz XWQGVZXKTFCJEJ-KRWDZBQOSA-N 1 1 392.416 0.354 20 5 GCBDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194533 1196692118 /nfs/dbraw/zinc/69/21/18/1196692118.db2.gz ZCOUTBOSGBGVHJ-FZMZJTMJSA-N 1 1 383.430 0.493 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000525617083 1196695442 /nfs/dbraw/zinc/69/54/42/1196695442.db2.gz TVKXZCFKHXZVIN-QWHCGFSZSA-N 1 1 384.458 0.862 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448686694 1196825852 /nfs/dbraw/zinc/82/58/52/1196825852.db2.gz LETMZMPYOOXPME-UHFFFAOYSA-N 1 1 386.412 0.721 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448975836 1196842858 /nfs/dbraw/zinc/84/28/58/1196842858.db2.gz QVLATSBTCGTYNP-UHFFFAOYSA-N 1 1 386.412 0.674 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450787313 1196953851 /nfs/dbraw/zinc/95/38/51/1196953851.db2.gz FGTYQBXJPKKAGP-BETUJISGSA-N 1 1 394.428 0.389 20 5 GCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452800286 1197083217 /nfs/dbraw/zinc/08/32/17/1197083217.db2.gz VGHKOCMWUSWXAG-HNNXBMFYSA-N 1 1 393.444 0.357 20 5 GCBDMO COc1ccc(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000531824419 1197099830 /nfs/dbraw/zinc/09/98/30/1197099830.db2.gz ZUWSYBZIVHXOKP-AWEZNQCLSA-N 1 1 399.469 0.723 20 5 GCBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536604991 1197376072 /nfs/dbraw/zinc/37/60/72/1197376072.db2.gz OPJVKXOVCLGIKX-CHWSQXEVSA-N 1 1 384.458 0.814 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614957911 1197490983 /nfs/dbraw/zinc/49/09/83/1197490983.db2.gz VDXDDRAPRIMGGR-UHFFFAOYSA-N 1 1 380.401 0.457 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614957911 1197490984 /nfs/dbraw/zinc/49/09/84/1197490984.db2.gz VDXDDRAPRIMGGR-UHFFFAOYSA-N 1 1 380.401 0.457 20 5 GCBDMO CCCc1[nH]nc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000265714506 1198947617 /nfs/dbraw/zinc/94/76/17/1198947617.db2.gz WSITWSCYNDMHJA-UHFFFAOYSA-N 1 1 380.449 0.800 20 5 GCBDMO C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000265723522 1199020704 /nfs/dbraw/zinc/02/07/04/1199020704.db2.gz NCDCLNHMUHULQO-KGLIPLIRSA-N 1 1 378.429 0.798 20 5 GCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273707531 1199061786 /nfs/dbraw/zinc/06/17/86/1199061786.db2.gz PBCWFZJSHIDQOH-INIZCTEOSA-N 1 1 396.469 0.663 20 5 GCBDMO Cc1c(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000123497419 1199787373 /nfs/dbraw/zinc/78/73/73/1199787373.db2.gz HWWHBEYYONWOJU-UHFFFAOYSA-N 1 1 377.445 0.984 20 5 GCBDMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282421758 1199920821 /nfs/dbraw/zinc/92/08/21/1199920821.db2.gz JJCHVDMZSMNOEZ-NSHDSACASA-N 1 1 389.412 0.320 20 5 GCBDMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282421758 1199920822 /nfs/dbraw/zinc/92/08/22/1199920822.db2.gz JJCHVDMZSMNOEZ-NSHDSACASA-N 1 1 389.412 0.320 20 5 GCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245865536 1200377930 /nfs/dbraw/zinc/37/79/30/1200377930.db2.gz LILXPVWGAYTHHW-DOTOQJQBSA-N 1 1 388.428 0.726 20 5 GCBDMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041720198 1200391309 /nfs/dbraw/zinc/39/13/09/1200391309.db2.gz IWXCUBNAVLXCSX-UHFFFAOYSA-N 1 1 377.445 0.986 20 5 GCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174769696 1200406003 /nfs/dbraw/zinc/40/60/03/1200406003.db2.gz LUXMYMRFIPXXAW-CQSZACIVSA-N 1 1 377.445 0.923 20 5 GCBDMO C[N@@H+](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000579722157 1200656083 /nfs/dbraw/zinc/65/60/83/1200656083.db2.gz FOVHGXQHIDGLPQ-CYBMUJFWSA-N 1 1 390.469 1.503 20 5 GCBDMO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000594288624 1200735632 /nfs/dbraw/zinc/73/56/32/1200735632.db2.gz DQWMQUIQLGUUPO-CQSZACIVSA-N 1 1 376.461 1.272 20 5 GCBDMO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000594288624 1200735637 /nfs/dbraw/zinc/73/56/37/1200735637.db2.gz DQWMQUIQLGUUPO-CQSZACIVSA-N 1 1 376.461 1.272 20 5 GCBDMO CNc1nccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000594263393 1200737194 /nfs/dbraw/zinc/73/71/94/1200737194.db2.gz ZYBCJZJLBTVBAX-ZDUSSCGKSA-N 1 1 376.417 0.586 20 5 GCBDMO CNc1nccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000583881288 1200739742 /nfs/dbraw/zinc/73/97/42/1200739742.db2.gz XIOZSPROBCLFPQ-UHFFFAOYSA-N 1 1 399.455 1.369 20 5 GCBDMO CNc1nccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000578880300 1200739771 /nfs/dbraw/zinc/73/97/71/1200739771.db2.gz ICSIJVHBQDRKRN-ZDUSSCGKSA-N 1 1 378.433 0.704 20 5 GCBDMO CNc1nccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571894857 1200741111 /nfs/dbraw/zinc/74/11/11/1200741111.db2.gz IMOOXJUNUYVHIN-LJQANCHMSA-N 1 1 385.424 1.398 20 5 GCBDMO CCn1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])n1 ZINC000611107140 1201216704 /nfs/dbraw/zinc/21/67/04/1201216704.db2.gz FWPFJMCNMSJZIH-CYBMUJFWSA-N 1 1 386.478 0.212 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000611447350 1201237737 /nfs/dbraw/zinc/23/77/37/1201237737.db2.gz SHXQJKPDUGYZGV-BBRMVZONSA-N 1 1 378.429 0.880 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611447350 1201237744 /nfs/dbraw/zinc/23/77/44/1201237744.db2.gz SHXQJKPDUGYZGV-BBRMVZONSA-N 1 1 378.429 0.880 20 5 GCBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855668 1201704111 /nfs/dbraw/zinc/70/41/11/1201704111.db2.gz MHGXGNXBGIRILG-VXGBXAGGSA-N 1 1 398.441 0.144 20 5 GCBDMO O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21)c1cnccn1 ZINC001169030390 1201930584 /nfs/dbraw/zinc/93/05/84/1201930584.db2.gz ZFQWCHTVXGJQRJ-RNGZQALNSA-N 1 1 389.456 0.989 20 5 GCBDMO Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001169020444 1201930979 /nfs/dbraw/zinc/93/09/79/1201930979.db2.gz JAUCMGDSEWAJQB-GWZLXJJCSA-N 1 1 377.445 0.827 20 5 GCBDMO CN(C)c1ncc2c(n1)[C@H]1C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]1S(=O)(=O)C2 ZINC001169020676 1201931004 /nfs/dbraw/zinc/93/10/04/1201931004.db2.gz LQQCEMFSGSMJGE-CYUUQNCZSA-N 1 1 395.485 0.684 20 5 GCBDMO Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001169020446 1201931171 /nfs/dbraw/zinc/93/11/71/1201931171.db2.gz JAUCMGDSEWAJQB-LMHBHQSJSA-N 1 1 377.445 0.827 20 5 GCBDMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019452 1201931208 /nfs/dbraw/zinc/93/12/08/1201931208.db2.gz IFMAZEGYOQWSGC-CABCVRRESA-N 1 1 390.488 0.611 20 5 GCBDMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019452 1201931210 /nfs/dbraw/zinc/93/12/10/1201931210.db2.gz IFMAZEGYOQWSGC-CABCVRRESA-N 1 1 390.488 0.611 20 5 GCBDMO Cn1cc(C(=O)N[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001169025449 1201931346 /nfs/dbraw/zinc/93/13/46/1201931346.db2.gz JAUCMGDSEWAJQB-UVLCOCDESA-N 1 1 377.445 0.827 20 5 GCBDMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169021809 1201931394 /nfs/dbraw/zinc/93/13/94/1201931394.db2.gz QRZZFYFNINEBKY-YUELXQCFSA-N 1 1 375.433 0.955 20 5 GCBDMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169021809 1201931396 /nfs/dbraw/zinc/93/13/96/1201931396.db2.gz QRZZFYFNINEBKY-YUELXQCFSA-N 1 1 375.433 0.955 20 5 GCBDMO O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21)c1ccnnc1 ZINC001169021282 1201931507 /nfs/dbraw/zinc/93/15/07/1201931507.db2.gz KJSFLOSJOBOYQG-PEJOBZMASA-N 1 1 389.456 0.989 20 5 GCBDMO CN(C)C(=O)CN1CCOCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025171 1201931636 /nfs/dbraw/zinc/93/16/36/1201931636.db2.gz SODUDAXYFLPCCB-IAGOWNOFSA-N 1 1 382.505 0.934 20 5 GCBDMO Cn1cc(N2C[C@]3(COCC[N@@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)OCC2=O)cn1 ZINC001169023538 1201931702 /nfs/dbraw/zinc/93/17/02/1201931702.db2.gz OYSWFOZFUIIBSH-IIDMSEBBSA-N 1 1 393.444 0.300 20 5 GCBDMO Cn1cc(N2C[C@]3(COCC[N@H+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C3)OCC2=O)cn1 ZINC001169023538 1201931704 /nfs/dbraw/zinc/93/17/04/1201931704.db2.gz OYSWFOZFUIIBSH-IIDMSEBBSA-N 1 1 393.444 0.300 20 5 GCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C1 ZINC000768462321 1202017456 /nfs/dbraw/zinc/01/74/56/1202017456.db2.gz AHZFYYAYRUYRQS-GFCCVEGCSA-N 1 1 397.388 0.138 20 5 GCBDMO CN(C)c1cc[nH+]c(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000770442794 1202098968 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/nfs/dbraw/zinc/48/28/84/1205482884.db2.gz KGERZFZQXKDHRX-UHFFFAOYSA-N 1 1 385.384 0.957 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747341724 1205561015 /nfs/dbraw/zinc/56/10/15/1205561015.db2.gz IBFJUGMVWIRKLW-KGLIPLIRSA-N 1 1 390.396 0.300 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000808270254 1205604595 /nfs/dbraw/zinc/60/45/95/1205604595.db2.gz UKMZDHCVPQFWQI-NSHDSACASA-N 1 1 397.407 0.225 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270794 1205604891 /nfs/dbraw/zinc/60/48/91/1205604891.db2.gz LAOVDLZQUFOHGD-CDVVCGDMSA-N 1 1 390.440 0.903 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173697860 1205726800 /nfs/dbraw/zinc/72/68/00/1205726800.db2.gz WPFHMGCMICJMTQ-CYBMUJFWSA-N 1 1 396.469 0.945 20 5 GCBDMO COc1ccc(NC(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001175251069 1205736635 /nfs/dbraw/zinc/73/66/35/1205736635.db2.gz WIDPSZQGWXCRJT-IAGOWNOFSA-N 1 1 376.369 0.527 20 5 GCBDMO COc1ccc(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1[N+](=O)[O-] ZINC001181413207 1205842856 /nfs/dbraw/zinc/84/28/56/1205842856.db2.gz LKRNAYSGTFTQIS-KBXCAEBGSA-N 1 1 379.413 0.488 20 5 GCBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001181485345 1205845574 /nfs/dbraw/zinc/84/55/74/1205845574.db2.gz HLRIURWODXNHGI-NSHDSACASA-N 1 1 384.820 0.906 20 5 GCBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001187438729 1205962764 /nfs/dbraw/zinc/96/27/64/1205962764.db2.gz ZHSIILNSEFCVKI-ZDUSSCGKSA-N 1 1 378.433 0.297 20 5 GCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164848631 720846561 /nfs/dbraw/zinc/84/65/61/720846561.db2.gz APOUHMIIRXMMLR-BBRMVZONSA-N 1 1 394.428 0.950 20 5 GCBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851946 720855394 /nfs/dbraw/zinc/85/53/94/720855394.db2.gz BGAIWZQGRBQQKR-KBPBESRZSA-N 1 1 381.433 0.875 20 5 GCBDMO CC(C)NS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565536066 530352617 /nfs/dbraw/zinc/35/26/17/530352617.db2.gz SYWGLTKEDRNDSU-UHFFFAOYSA-N 1 1 379.460 0.286 20 5 GCBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000592566571 530417190 /nfs/dbraw/zinc/41/71/90/530417190.db2.gz MMFDUSMKFGPZOX-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000546574330 530696015 /nfs/dbraw/zinc/69/60/15/530696015.db2.gz KZOYWETVGKMMFU-GFCCVEGCSA-N 1 1 383.348 0.959 20 5 GCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592389181 530766370 /nfs/dbraw/zinc/76/63/70/530766370.db2.gz UEGROFUIQDTJIV-LLVKDONJSA-N 1 1 377.806 0.774 20 5 GCBDMO [NH3+]CC(F)(F)CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418524648 530854527 /nfs/dbraw/zinc/85/45/27/530854527.db2.gz NIAGBDAFYYGETL-UHFFFAOYSA-N 1 1 377.373 0.718 20 5 GCBDMO CN1CC[N@H+](C)C[C@H]1CNc1c(I)cncc1[N+](=O)[O-] ZINC000418858730 530855161 /nfs/dbraw/zinc/85/51/61/530855161.db2.gz AKXZXVIUPMYORA-SECBINFHSA-N 1 1 391.213 0.674 20 5 GCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c(I)cncc1[N+](=O)[O-] ZINC000418858730 530855163 /nfs/dbraw/zinc/85/51/63/530855163.db2.gz AKXZXVIUPMYORA-SECBINFHSA-N 1 1 391.213 0.674 20 5 GCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594843796 530886951 /nfs/dbraw/zinc/88/69/51/530886951.db2.gz RFYRTUWLKSGDON-UHFFFAOYSA-N 1 1 392.865 0.889 20 5 GCBDMO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(F)(F)C[NH3+] ZINC000427179150 530895180 /nfs/dbraw/zinc/89/51/80/530895180.db2.gz SECNHLABNNWSPE-QMMMGPOBSA-N 1 1 380.373 0.750 20 5 GCBDMO Cc1sc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467391563 530915178 /nfs/dbraw/zinc/91/51/78/530915178.db2.gz CBHCTMQJVDBOFH-LLVKDONJSA-N 1 1 390.487 0.830 20 5 GCBDMO NC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736026 599099268 /nfs/dbraw/zinc/09/92/68/599099268.db2.gz GTFMQRDGLOCXNB-OAHLLOKOSA-N 1 1 383.368 0.970 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737747081 598501152 /nfs/dbraw/zinc/50/11/52/598501152.db2.gz WAAOVGSMMXDDPR-JTQLQIEISA-N 1 1 375.393 0.169 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737747084 598501377 /nfs/dbraw/zinc/50/13/77/598501377.db2.gz WAAOVGSMMXDDPR-SNVBAGLBSA-N 1 1 375.393 0.169 20 5 GCBDMO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[N@H+](C)C1CC1 ZINC000824429831 607606295 /nfs/dbraw/zinc/60/62/95/607606295.db2.gz ZEXCUSCQJORZOB-SECBINFHSA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[N@@H+](C)C1CC1 ZINC000824429831 607606297 /nfs/dbraw/zinc/60/62/97/607606297.db2.gz ZEXCUSCQJORZOB-SECBINFHSA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824886407 607645324 /nfs/dbraw/zinc/64/53/24/607645324.db2.gz YMMDJWCULYBFGU-MNOVXSKESA-N 1 1 395.445 0.878 20 5 GCBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@H+]1C ZINC000824886407 607645326 /nfs/dbraw/zinc/64/53/26/607645326.db2.gz YMMDJWCULYBFGU-MNOVXSKESA-N 1 1 395.445 0.878 20 5 GCBDMO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000824978649 607653607 /nfs/dbraw/zinc/65/36/07/607653607.db2.gz WYFIFWOYWFWNSO-QWRGUYRKSA-N 1 1 395.445 0.782 20 5 GCBDMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)C1 ZINC000824978649 607653609 /nfs/dbraw/zinc/65/36/09/607653609.db2.gz WYFIFWOYWFWNSO-QWRGUYRKSA-N 1 1 395.445 0.782 20 5 GCBDMO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821181617 606735982 /nfs/dbraw/zinc/73/59/82/606735982.db2.gz NKSGAJNLKYPXHR-LLVKDONJSA-N 1 1 395.445 0.880 20 5 GCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624047 607035402 /nfs/dbraw/zinc/03/54/02/607035402.db2.gz YFVKOLRFFQZRDM-HNNXBMFYSA-N 1 1 386.416 0.518 20 5 GCBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842512326 642339319 /nfs/dbraw/zinc/33/93/19/642339319.db2.gz JUHIOSGVUBXRCB-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842514554 642339339 /nfs/dbraw/zinc/33/93/39/642339339.db2.gz XWUWZFMXOPRTAG-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842858393 642354585 /nfs/dbraw/zinc/35/45/85/642354585.db2.gz CACKEBUPKHNXMP-LLVKDONJSA-N 1 1 377.806 0.774 20 5 GCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849453156 642661996 /nfs/dbraw/zinc/66/19/96/642661996.db2.gz ZEOXBGMHEHRCSW-UHFFFAOYSA-N 1 1 392.865 0.889 20 5 GCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000568064390 1192268726 /nfs/dbraw/zinc/26/87/26/1192268726.db2.gz 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Cc1n[nH]c(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000066858159 1189909480 /nfs/dbraw/zinc/90/94/80/1189909480.db2.gz FCTRPYNSVRIUHI-UHFFFAOYSA-N 1 1 378.433 0.643 20 5 GCBDMO Cc1[nH]nc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000066858159 1189909485 /nfs/dbraw/zinc/90/94/85/1189909485.db2.gz FCTRPYNSVRIUHI-UHFFFAOYSA-N 1 1 378.433 0.643 20 5 GCBDMO C[N@H+]1CCCN(CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000613794123 1190061028 /nfs/dbraw/zinc/06/10/28/1190061028.db2.gz WGUSLZDOQPKKIT-UHFFFAOYSA-N 1 1 377.445 0.468 20 5 GCBDMO CN1CCC[N@H+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000613794123 1190061033 /nfs/dbraw/zinc/06/10/33/1190061033.db2.gz WGUSLZDOQPKKIT-UHFFFAOYSA-N 1 1 377.445 0.468 20 5 GCBDMO CN1CCC[N@@H+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000613794123 1190061039 /nfs/dbraw/zinc/06/10/39/1190061039.db2.gz WGUSLZDOQPKKIT-UHFFFAOYSA-N 1 1 377.445 0.468 20 5 GCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000419350988 1193846501 /nfs/dbraw/zinc/84/65/01/1193846501.db2.gz GOUYRLIYZNCBLZ-TZMCWYRMSA-N 1 1 381.385 0.088 20 5 GCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000419350988 1193846505 /nfs/dbraw/zinc/84/65/05/1193846505.db2.gz GOUYRLIYZNCBLZ-TZMCWYRMSA-N 1 1 381.385 0.088 20 5 GCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000366709185 1194269274 /nfs/dbraw/zinc/26/92/74/1194269274.db2.gz IUMGOMDONOBYTC-MRXNPFEDSA-N 1 1 396.469 0.663 20 5 GCBDMO CCOC(=O)[C@](C)(O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972286 1194279965 /nfs/dbraw/zinc/27/99/65/1194279965.db2.gz KCRUKDBDWXAZKL-OAHLLOKOSA-N 1 1 389.430 0.119 20 5 GCBDMO CCOC(=O)[C@](C)(O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972286 1194279967 /nfs/dbraw/zinc/27/99/67/1194279967.db2.gz KCRUKDBDWXAZKL-OAHLLOKOSA-N 1 1 389.430 0.119 20 5 GCBDMO C[C@H]1COCCN1CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979071 1194280806 /nfs/dbraw/zinc/28/08/06/1194280806.db2.gz YRGZHXFOEGJXFB-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@H]1COCCN1CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979071 1194280809 /nfs/dbraw/zinc/28/08/09/1194280809.db2.gz YRGZHXFOEGJXFB-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@H]1COCC[N@@H+]1CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979071 1194280813 /nfs/dbraw/zinc/28/08/13/1194280813.db2.gz YRGZHXFOEGJXFB-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@H]1COCC[N@H+]1CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979071 1194280816 /nfs/dbraw/zinc/28/08/16/1194280816.db2.gz YRGZHXFOEGJXFB-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)Cn1cccn1 ZINC000421034458 1194283884 /nfs/dbraw/zinc/28/38/84/1194283884.db2.gz YJYIUCKSMROFNC-AWEZNQCLSA-N 1 1 383.430 0.063 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366946862 1194335935 /nfs/dbraw/zinc/33/59/35/1194335935.db2.gz UIWNZFXXUUDVEA-KBPBESRZSA-N 1 1 392.412 0.911 20 5 GCBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc([N+](=O)[O-])c1 ZINC000413899111 1194357565 /nfs/dbraw/zinc/35/75/65/1194357565.db2.gz CGSNRQUHMUDHJM-ZDUSSCGKSA-N 1 1 379.369 0.558 20 5 GCBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc([N+](=O)[O-])c1 ZINC000413899111 1194357569 /nfs/dbraw/zinc/35/75/69/1194357569.db2.gz CGSNRQUHMUDHJM-ZDUSSCGKSA-N 1 1 379.369 0.558 20 5 GCBDMO CC(C)[C@@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000502822156 1194360463 /nfs/dbraw/zinc/36/04/63/1194360463.db2.gz BTFKNDVKDWFFNV-HNNXBMFYSA-N 1 1 388.428 0.886 20 5 GCBDMO CC(C)[C@@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000502822156 1194360467 /nfs/dbraw/zinc/36/04/67/1194360467.db2.gz BTFKNDVKDWFFNV-HNNXBMFYSA-N 1 1 388.428 0.886 20 5 GCBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502836927 1194361557 /nfs/dbraw/zinc/36/15/57/1194361557.db2.gz CCZTUWZNJUMFKY-OAHLLOKOSA-N 1 1 388.428 0.886 20 5 GCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502836927 1194361561 /nfs/dbraw/zinc/36/15/61/1194361561.db2.gz CCZTUWZNJUMFKY-OAHLLOKOSA-N 1 1 388.428 0.886 20 5 GCBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502836926 1194361864 /nfs/dbraw/zinc/36/18/64/1194361864.db2.gz CCZTUWZNJUMFKY-HNNXBMFYSA-N 1 1 388.428 0.886 20 5 GCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000502836926 1194361866 /nfs/dbraw/zinc/36/18/66/1194361866.db2.gz CCZTUWZNJUMFKY-HNNXBMFYSA-N 1 1 388.428 0.886 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+](C)C1 ZINC000413924485 1194363122 /nfs/dbraw/zinc/36/31/22/1194363122.db2.gz SNHORLYYXQKMDK-CYBMUJFWSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+](C)C1 ZINC000413924485 1194363124 /nfs/dbraw/zinc/36/31/24/1194363124.db2.gz SNHORLYYXQKMDK-CYBMUJFWSA-N 1 1 387.396 0.957 20 5 GCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422028768 1194377822 /nfs/dbraw/zinc/37/78/22/1194377822.db2.gz XKLHACBRFUEXSP-AWEZNQCLSA-N 1 1 384.458 0.816 20 5 GCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422098407 1194384025 /nfs/dbraw/zinc/38/40/25/1194384025.db2.gz JVDNNRLUUJJBRM-HNNXBMFYSA-N 1 1 389.456 0.796 20 5 GCBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422296293 1194607327 /nfs/dbraw/zinc/60/73/27/1194607327.db2.gz OMOCJFSJFVVSGN-CQSZACIVSA-N 1 1 392.460 0.485 20 5 GCBDMO C[N@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983669 1194881714 /nfs/dbraw/zinc/88/17/14/1194881714.db2.gz WCZMMRVWVRYBCH-IRXDYDNUSA-N 1 1 378.429 0.325 20 5 GCBDMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983669 1194881715 /nfs/dbraw/zinc/88/17/15/1194881715.db2.gz WCZMMRVWVRYBCH-IRXDYDNUSA-N 1 1 378.429 0.325 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1=O ZINC000425308556 1194904698 /nfs/dbraw/zinc/90/46/98/1194904698.db2.gz CIYZXMFUXXMAEO-CYBMUJFWSA-N 1 1 394.428 0.512 20 5 GCBDMO CNc1nccc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000517391282 1195177831 /nfs/dbraw/zinc/17/78/31/1195177831.db2.gz LZJZYABFIVCRIZ-UHFFFAOYSA-N 1 1 386.416 0.850 20 5 GCBDMO CC[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517680480 1195206905 /nfs/dbraw/zinc/20/69/05/1195206905.db2.gz AUXSMYWKTIAGEZ-UHFFFAOYSA-N 1 1 384.458 0.817 20 5 GCBDMO COC(=O)Cn1cc(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000440492475 1195508381 /nfs/dbraw/zinc/50/83/81/1195508381.db2.gz UEOXEMQBWIECFC-GFCCVEGCSA-N 1 1 375.389 0.483 20 5 GCBDMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000440499585 1195520772 /nfs/dbraw/zinc/52/07/72/1195520772.db2.gz XOEWUWNKYGXJFC-KCYZZUKISA-N 1 1 379.461 0.946 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000520535421 1195782100 /nfs/dbraw/zinc/78/21/00/1195782100.db2.gz HCCRPSNBZRZHGT-LLVKDONJSA-N 1 1 378.385 0.641 20 5 GCBDMO C[NH+](C)CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000274761169 1195789419 /nfs/dbraw/zinc/78/94/19/1195789419.db2.gz INAYVZZKASDAPI-CYBMUJFWSA-N 1 1 385.442 0.881 20 5 GCBDMO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000520893057 1195933431 /nfs/dbraw/zinc/93/34/31/1195933431.db2.gz QMDBUZFSNZBBBG-CYBMUJFWSA-N 1 1 396.469 0.864 20 5 GCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000521295180 1195985470 /nfs/dbraw/zinc/98/54/70/1195985470.db2.gz XLTABCLQCUULGC-CQSZACIVSA-N 1 1 375.429 0.995 20 5 GCBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000521734127 1196012876 /nfs/dbraw/zinc/01/28/76/1196012876.db2.gz HTDLDSJWTRWBEJ-CYBMUJFWSA-N 1 1 399.473 0.514 20 5 GCBDMO Cc1[nH+]ccn1CCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000522189291 1196057995 /nfs/dbraw/zinc/05/79/95/1196057995.db2.gz DIWJNFRELNKKDQ-UHFFFAOYSA-N 1 1 395.441 0.975 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000025232395 1196067276 /nfs/dbraw/zinc/06/72/76/1196067276.db2.gz FEPIAEJDYPVZDK-UHFFFAOYSA-N 1 1 378.385 0.306 20 5 GCBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)CN1CC[NH+](C)CC1 ZINC000522266119 1196069864 /nfs/dbraw/zinc/06/98/64/1196069864.db2.gz XKTDVEIPEBNRHF-CYBMUJFWSA-N 1 1 378.429 0.979 20 5 GCBDMO Cc1c(CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000550550851 1196083753 /nfs/dbraw/zinc/08/37/53/1196083753.db2.gz MDFPNLHAENLJRU-UHFFFAOYSA-N 1 1 391.472 0.662 20 5 GCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000896235747 1196137676 /nfs/dbraw/zinc/13/76/76/1196137676.db2.gz LIUUUBNYRNQWBO-UHFFFAOYSA-N 1 1 379.392 0.859 20 5 GCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896572535 1196167746 /nfs/dbraw/zinc/16/77/46/1196167746.db2.gz QDKPGURVVYPUOL-KDOFPFPSSA-N 1 1 391.472 0.796 20 5 GCBDMO C[NH+](C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000280874415 1196214114 /nfs/dbraw/zinc/21/41/14/1196214114.db2.gz YNRZDZWQSFLTEU-ZDUSSCGKSA-N 1 1 396.425 0.885 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000281661662 1196319432 /nfs/dbraw/zinc/31/94/32/1196319432.db2.gz KEBUMRPGUBONNJ-LBPRGKRZSA-N 1 1 380.401 0.769 20 5 GCBDMO COc1ccc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281764883 1196329830 /nfs/dbraw/zinc/32/98/30/1196329830.db2.gz ATYJUUWABLWJAU-UHFFFAOYSA-N 1 1 393.444 0.684 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000522848556 1196352406 /nfs/dbraw/zinc/35/24/06/1196352406.db2.gz LRCLAHDFVNVIOY-HNNXBMFYSA-N 1 1 395.508 0.971 20 5 GCBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)cc2n(C)c1=O ZINC000897218058 1196405909 /nfs/dbraw/zinc/40/59/09/1196405909.db2.gz AOQUMBDWSKMYFQ-STQMWFEESA-N 1 1 375.429 0.821 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1-c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000545687175 1196450310 /nfs/dbraw/zinc/45/03/10/1196450310.db2.gz YJGPBSHXKNGGFT-CYBMUJFWSA-N 1 1 398.383 0.734 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1-c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000545687175 1196450312 /nfs/dbraw/zinc/45/03/12/1196450312.db2.gz YJGPBSHXKNGGFT-CYBMUJFWSA-N 1 1 398.383 0.734 20 5 GCBDMO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000444558297 1196503918 /nfs/dbraw/zinc/50/39/18/1196503918.db2.gz XTNQAYKQBLGAGE-ZDUSSCGKSA-N 1 1 378.429 0.628 20 5 GCBDMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440496365 1196509452 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COc1c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000331078633 1199865751 /nfs/dbraw/zinc/86/57/51/1199865751.db2.gz WRZISBIGQPADAB-HNNXBMFYSA-N 1 1 376.413 0.982 20 5 GCBDMO COC(=O)CNC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265898630 1199890820 /nfs/dbraw/zinc/89/08/20/1199890820.db2.gz UDQWDVRFBOQPFN-UHFFFAOYSA-N 1 1 378.385 0.032 20 5 GCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000282499495 1200088329 /nfs/dbraw/zinc/08/83/29/1200088329.db2.gz NBHWKVLQAPUAKU-LBPRGKRZSA-N 1 1 395.435 0.981 20 5 GCBDMO CC(C)[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000041871122 1200396786 /nfs/dbraw/zinc/39/67/86/1200396786.db2.gz ROQDVYQAAMRULM-MRXNPFEDSA-N 1 1 378.429 0.798 20 5 GCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000583153242 1200903871 /nfs/dbraw/zinc/90/38/71/1200903871.db2.gz JBEDUSYUNVGLOR-INIZCTEOSA-N 1 1 388.428 1.177 20 5 GCBDMO CC[N@H+]1CCO[C@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000583153242 1200903877 /nfs/dbraw/zinc/90/38/77/1200903877.db2.gz JBEDUSYUNVGLOR-INIZCTEOSA-N 1 1 388.428 1.177 20 5 GCBDMO Nc1nccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000594258662 1201138025 /nfs/dbraw/zinc/13/80/25/1201138025.db2.gz TWUAUPAZTHZQTI-UHFFFAOYSA-N 1 1 385.428 0.909 20 5 GCBDMO O=C(c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000611103787 1201215624 /nfs/dbraw/zinc/21/56/24/1201215624.db2.gz SMKOYQUMWRNCKD-INIZCTEOSA-N 1 1 390.440 0.978 20 5 GCBDMO CCn1cc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000611106979 1201216661 /nfs/dbraw/zinc/21/66/61/1201216661.db2.gz JNVORDOJGKCBNH-ZDUSSCGKSA-N 1 1 387.462 0.687 20 5 GCBDMO CCn1cc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000611106979 1201216663 /nfs/dbraw/zinc/21/66/63/1201216663.db2.gz JNVORDOJGKCBNH-ZDUSSCGKSA-N 1 1 387.462 0.687 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611165962 1201220982 /nfs/dbraw/zinc/22/09/82/1201220982.db2.gz NWJZCPCROXAIPY-ZDUSSCGKSA-N 1 1 378.429 0.628 20 5 GCBDMO C[N@H+]1CCC[C@H](N2CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1 ZINC000738214174 1201735583 /nfs/dbraw/zinc/73/55/83/1201735583.db2.gz OJXYZBJZVGAGMD-AWEZNQCLSA-N 1 1 387.440 0.860 20 5 GCBDMO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169028471 1201930204 /nfs/dbraw/zinc/93/02/04/1201930204.db2.gz SDYSQFIMCVOEKX-ZBFHGGJFSA-N 1 1 376.457 0.783 20 5 GCBDMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019454 1201931077 /nfs/dbraw/zinc/93/10/77/1201931077.db2.gz IFMAZEGYOQWSGC-HUUCEWRRSA-N 1 1 390.488 0.611 20 5 GCBDMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169019454 1201931078 /nfs/dbraw/zinc/93/10/78/1201931078.db2.gz IFMAZEGYOQWSGC-HUUCEWRRSA-N 1 1 390.488 0.611 20 5 GCBDMO 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375.433 0.955 20 5 GCBDMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169021808 1201931500 /nfs/dbraw/zinc/93/15/00/1201931500.db2.gz QRZZFYFNINEBKY-SNPRPXQTSA-N 1 1 375.433 0.955 20 5 GCBDMO Cn1cc(N2C[C@]3(COCC[N@@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C3)OCC2=O)cn1 ZINC001169023541 1201931540 /nfs/dbraw/zinc/93/15/40/1201931540.db2.gz OYSWFOZFUIIBSH-RLFYNMQTSA-N 1 1 393.444 0.300 20 5 GCBDMO Cn1cc(N2C[C@]3(COCC[N@H+]([C@H]4CC[C@H](C[N+](=O)[O-])C4)C3)OCC2=O)cn1 ZINC001169023541 1201931543 /nfs/dbraw/zinc/93/15/43/1201931543.db2.gz OYSWFOZFUIIBSH-RLFYNMQTSA-N 1 1 393.444 0.300 20 5 GCBDMO Cc1[nH+]ccn1CCOC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000771896761 1202168872 /nfs/dbraw/zinc/16/88/72/1202168872.db2.gz OHPLQUOEVZMUTF-UHFFFAOYSA-N 1 1 397.413 0.793 20 5 GCBDMO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]21 ZINC001170339874 1205491111 /nfs/dbraw/zinc/49/11/11/1205491111.db2.gz KIAFPOWFPMCBDR-XWIAVFTESA-N 1 1 392.456 0.665 20 5 GCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]21 ZINC001170339874 1205491112 /nfs/dbraw/zinc/49/11/12/1205491112.db2.gz KIAFPOWFPMCBDR-XWIAVFTESA-N 1 1 392.456 0.665 20 5 GCBDMO C[N@@H+](CCCN1CCCC1=O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171502103 1205708335 /nfs/dbraw/zinc/70/83/35/1205708335.db2.gz QVDXJYUYTRVMOK-UHFFFAOYSA-N 1 1 384.458 0.817 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001173695321 1205726706 /nfs/dbraw/zinc/72/67/06/1205726706.db2.gz CHJXBFXTFVYYIY-SWLSCSKDSA-N 1 1 385.442 0.033 20 5 GCBDMO CCS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001176808460 1205754891 /nfs/dbraw/zinc/75/48/91/1205754891.db2.gz KPJLBVDNGIOAQD-AWEZNQCLSA-N 1 1 387.458 0.738 20 5 GCBDMO C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC001177633368 1205773420 /nfs/dbraw/zinc/77/34/20/1205773420.db2.gz CBMISKFHRKRIKK-CQSZACIVSA-N 1 1 391.428 0.251 20 5 GCBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001187438728 1205962898 /nfs/dbraw/zinc/96/28/98/1205962898.db2.gz ZHSIILNSEFCVKI-CYBMUJFWSA-N 1 1 378.433 0.297 20 5 GCBDMO O=[N+]([O-])c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164741775 720807320 /nfs/dbraw/zinc/80/73/20/720807320.db2.gz BXOWNMFOQPWXNQ-UONOGXRCSA-N 1 1 398.427 0.204 20 5 GCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@@H]2C1 ZINC001164852535 720837305 /nfs/dbraw/zinc/83/73/05/720837305.db2.gz KKZHYSQBCXPKOH-CJNGLKHVSA-N 1 1 394.428 0.950 20 5 GCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@H]2C1 ZINC001164852534 720837482 /nfs/dbraw/zinc/83/74/82/720837482.db2.gz KKZHYSQBCXPKOH-BBRMVZONSA-N 1 1 394.428 0.950 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164851952 720855421 /nfs/dbraw/zinc/85/54/21/720855421.db2.gz BGAIWZQGRBQQKR-ZIAGYGMSSA-N 1 1 381.433 0.875 20 5 GCBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164851948 720855595 /nfs/dbraw/zinc/85/55/95/720855595.db2.gz BGAIWZQGRBQQKR-KGLIPLIRSA-N 1 1 381.433 0.875 20 5 GCBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892837 721382714 /nfs/dbraw/zinc/38/27/14/721382714.db2.gz TVFPNKRSNMOVOP-PKOBYXMFSA-N 1 1 391.472 0.994 20 5 GCBDMO Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncc1[N+](=O)[O-] ZINC001165001063 722239269 /nfs/dbraw/zinc/23/92/69/722239269.db2.gz AMBAJFBUSHVHJI-UHFFFAOYSA-N 1 1 384.444 0.840 20 5 GCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592389184 530766578 /nfs/dbraw/zinc/76/65/78/530766578.db2.gz UFYLRJTWJYXMGI-NSHDSACASA-N 1 1 377.806 0.774 20 5 GCBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000275737875 530909486 /nfs/dbraw/zinc/90/94/86/530909486.db2.gz YXESJZCAMMWHKM-SNVBAGLBSA-N 1 1 377.394 0.742 20 5 GCBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000275737875 530909487 /nfs/dbraw/zinc/90/94/87/530909487.db2.gz YXESJZCAMMWHKM-SNVBAGLBSA-N 1 1 377.394 0.742 20 5 GCBDMO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(F)(F)C[NH3+] ZINC000427179149 530895335 /nfs/dbraw/zinc/89/53/35/530895335.db2.gz SECNHLABNNWSPE-MRVPVSSYSA-N 1 1 380.373 0.750 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000056094781 531002460 /nfs/dbraw/zinc/00/24/60/531002460.db2.gz MNZFNNUEAMNVBS-UHFFFAOYSA-N 1 1 390.849 0.691 20 5 GCBDMO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](CCO)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645985 599529640 /nfs/dbraw/zinc/52/96/40/599529640.db2.gz YZKRNKFNLVZVLM-UHFFFAOYSA-N 1 1 384.400 0.828 20 5 GCBDMO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825406353 607587073 /nfs/dbraw/zinc/58/70/73/607587073.db2.gz LMCLXPXSLQWTDW-JTQLQIEISA-N 1 1 383.434 0.784 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826500067 607588400 /nfs/dbraw/zinc/58/84/00/607588400.db2.gz JZMKUOLTAPSCSH-JTQLQIEISA-N 1 1 393.429 0.538 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1-c1nn[nH]n1 ZINC000826500067 607588401 /nfs/dbraw/zinc/58/84/01/607588401.db2.gz JZMKUOLTAPSCSH-JTQLQIEISA-N 1 1 393.429 0.538 20 5 GCBDMO CC[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000825424711 607604530 /nfs/dbraw/zinc/60/45/30/607604530.db2.gz OPWCQMTUEMDEDQ-UHFFFAOYSA-N 1 1 381.418 0.538 20 5 GCBDMO CC[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000825424711 607604532 /nfs/dbraw/zinc/60/45/32/607604532.db2.gz OPWCQMTUEMDEDQ-UHFFFAOYSA-N 1 1 381.418 0.538 20 5 GCBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824893077 607646959 /nfs/dbraw/zinc/64/69/59/607646959.db2.gz OZTSMOPLEIZHAO-ZJUUUORDSA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@H+]1C ZINC000824893077 607646960 /nfs/dbraw/zinc/64/69/60/607646960.db2.gz OZTSMOPLEIZHAO-ZJUUUORDSA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824893073 607647048 /nfs/dbraw/zinc/64/70/48/607647048.db2.gz OZTSMOPLEIZHAO-NXEZZACHSA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@H+]1C ZINC000824893073 607647050 /nfs/dbraw/zinc/64/70/50/607647050.db2.gz OZTSMOPLEIZHAO-NXEZZACHSA-N 1 1 381.418 0.536 20 5 GCBDMO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824978650 607653489 /nfs/dbraw/zinc/65/34/89/607653489.db2.gz WYFIFWOYWFWNSO-WDEREUQCSA-N 1 1 395.445 0.782 20 5 GCBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824978650 607653490 /nfs/dbraw/zinc/65/34/90/607653490.db2.gz WYFIFWOYWFWNSO-WDEREUQCSA-N 1 1 395.445 0.782 20 5 GCBDMO CCC[N@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825307605 607658687 /nfs/dbraw/zinc/65/86/87/607658687.db2.gz GXDZIGDQECGQSI-UHFFFAOYSA-N 1 1 383.434 0.785 20 5 GCBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825307605 607658689 /nfs/dbraw/zinc/65/86/89/607658689.db2.gz GXDZIGDQECGQSI-UHFFFAOYSA-N 1 1 383.434 0.785 20 5 GCBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825897698 607735158 /nfs/dbraw/zinc/73/51/58/607735158.db2.gz MHPMXTDUIDAJON-UHFFFAOYSA-N 1 1 376.421 0.965 20 5 GCBDMO CN(CC[NH+](C)C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)CC[NH+](C)C)c1 ZINC000821584944 606140578 /nfs/dbraw/zinc/14/05/78/606140578.db2.gz YURLTNRQIDUFKJ-UHFFFAOYSA-N 1 1 391.480 0.771 20 5 GCBDMO CN(CC[NH+](C)C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)CC[NH+](C)C)c1 ZINC000821584944 606140579 /nfs/dbraw/zinc/14/05/79/606140579.db2.gz YURLTNRQIDUFKJ-UHFFFAOYSA-N 1 1 391.480 0.771 20 5 GCBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000821628315 606727454 /nfs/dbraw/zinc/72/74/54/606727454.db2.gz FXRLWRRRCSMRLI-LSDHHAIUSA-N 1 1 382.384 0.842 20 5 GCBDMO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821253755 606730664 /nfs/dbraw/zinc/73/06/64/606730664.db2.gz IBZRNYXLVHSWLX-UHFFFAOYSA-N 1 1 395.445 0.880 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000823646812 606733361 /nfs/dbraw/zinc/73/33/61/606733361.db2.gz AKOYYPGQJDDRTB-LLVKDONJSA-N 1 1 393.429 0.634 20 5 GCBDMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750941 606734320 /nfs/dbraw/zinc/73/43/20/606734320.db2.gz DOHGJNSWTFHZRM-QWRGUYRKSA-N 1 1 395.445 0.736 20 5 GCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750941 606734321 /nfs/dbraw/zinc/73/43/21/606734321.db2.gz DOHGJNSWTFHZRM-QWRGUYRKSA-N 1 1 395.445 0.736 20 5 GCBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821621874 607126197 /nfs/dbraw/zinc/12/61/97/607126197.db2.gz JRROAZVEMSBPRU-SECBINFHSA-N 1 1 388.417 0.864 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000826390278 607838596 /nfs/dbraw/zinc/83/85/96/607838596.db2.gz VVBVUZRJWKWBLY-AWEZNQCLSA-N 1 1 386.416 0.693 20 5 GCBDMO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(I)n1 ZINC000894344461 638694315 /nfs/dbraw/zinc/69/43/15/638694315.db2.gz ROYUSFTVRRCNBU-UHFFFAOYSA-N 1 1 376.158 0.919 20 5 GCBDMO C[NH+]1CCC(NC(=S)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000757934458 640518065 /nfs/dbraw/zinc/51/80/65/640518065.db2.gz AHRVQPXTNIPKLL-UHFFFAOYSA-N 1 1 386.499 0.927 20 5 GCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768863449 640763590 /nfs/dbraw/zinc/76/35/90/640763590.db2.gz VYTUIIZMLORANO-LBPRGKRZSA-N 1 1 388.471 0.583 20 5 GCBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842511788 642339252 /nfs/dbraw/zinc/33/92/52/642339252.db2.gz GALUGRUBSMGHFG-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049278487 1192213857 /nfs/dbraw/zinc/21/38/57/1192213857.db2.gz GZYVUKGYXDVRAF-UHFFFAOYSA-N 1 1 383.836 0.940 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718772 1192396830 /nfs/dbraw/zinc/39/68/30/1192396830.db2.gz XMHZTODFECCOFE-ZWKOTPCHSA-N 1 1 376.413 0.806 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718769 1192397349 /nfs/dbraw/zinc/39/73/49/1192397349.db2.gz XMHZTODFECCOFE-MSOLQXFVSA-N 1 1 376.413 0.806 20 5 GCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000278986716 1192427995 /nfs/dbraw/zinc/42/79/95/1192427995.db2.gz ATVNFTHDCKLQEZ-KRWDZBQOSA-N 1 1 375.385 0.906 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279004943 1192435743 /nfs/dbraw/zinc/43/57/43/1192435743.db2.gz DJADNTDFDGJZDW-QGZVFWFLSA-N 1 1 391.384 0.606 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279004942 1192436045 /nfs/dbraw/zinc/43/60/45/1192436045.db2.gz DJADNTDFDGJZDW-KRWDZBQOSA-N 1 1 391.384 0.606 20 5 GCBDMO C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000512133064 1192466557 /nfs/dbraw/zinc/46/65/57/1192466557.db2.gz XPEFYLVCKGJUQJ-NEPJUHHUSA-N 1 1 399.473 0.595 20 5 GCBDMO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000512142036 1192472455 /nfs/dbraw/zinc/47/24/55/1192472455.db2.gz GJHXVXSGJZJWBC-CYBMUJFWSA-N 1 1 396.469 0.982 20 5 GCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000432542357 1192548062 /nfs/dbraw/zinc/54/80/62/1192548062.db2.gz OKVGGUIWATWGTP-UHFFFAOYSA-N 1 1 380.445 0.723 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000512266187 1192590958 /nfs/dbraw/zinc/59/09/58/1192590958.db2.gz DMXUDMQCOVYEKA-GFCCVEGCSA-N 1 1 386.430 0.685 20 5 GCBDMO CN(C)CCNS(=O)(=O)c1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419010691 1192717097 /nfs/dbraw/zinc/71/70/97/1192717097.db2.gz YLSZBFFAUMZWGH-UHFFFAOYSA-N 1 1 385.490 0.941 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCC[NH+]1CCOCC1 ZINC000512564921 1192905001 /nfs/dbraw/zinc/90/50/01/1192905001.db2.gz MLHWECWXMQKSCN-UHFFFAOYSA-N 1 1 378.385 0.159 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000274496421 1184077571 /nfs/dbraw/zinc/07/75/71/1184077571.db2.gz IJKUZYQYXWROBU-ZDUSSCGKSA-N 1 1 393.444 0.684 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000610209722 1184279858 /nfs/dbraw/zinc/27/98/58/1184279858.db2.gz XYFHJBQWRADENG-QWHCGFSZSA-N 1 1 384.458 0.814 20 5 GCBDMO C[C@@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000610209721 1184280161 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/nfs/dbraw/zinc/12/32/25/1185123225.db2.gz QLHUBWGNIFDMBU-KRWDZBQOSA-N 1 1 382.417 0.356 20 5 GCBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426860 1185169111 /nfs/dbraw/zinc/16/91/11/1185169111.db2.gz GOMRHNSEGUVSIU-LBPRGKRZSA-N 1 1 382.442 0.765 20 5 GCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261711337 1185243478 /nfs/dbraw/zinc/24/34/78/1185243478.db2.gz KOHZFZRZUBYCIC-CQSZACIVSA-N 1 1 393.425 0.519 20 5 GCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262113453 1185375916 /nfs/dbraw/zinc/37/59/16/1185375916.db2.gz KTXVVNOFZYLWTF-OAHLLOKOSA-N 1 1 378.429 0.626 20 5 GCBDMO COC(=O)COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262113453 1185375920 /nfs/dbraw/zinc/37/59/20/1185375920.db2.gz KTXVVNOFZYLWTF-OAHLLOKOSA-N 1 1 378.429 0.626 20 5 GCBDMO CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)N1CC[NH2+]CC1 ZINC000430611672 1185759164 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DQQBNWYUEFDKIP-ZDUSSCGKSA-N 1 1 385.442 0.794 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900650 1186253808 /nfs/dbraw/zinc/25/38/08/1186253808.db2.gz FMFRDWXRKFKGKU-ABAIWWIYSA-N 1 1 380.401 0.169 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900650 1186253813 /nfs/dbraw/zinc/25/38/13/1186253813.db2.gz FMFRDWXRKFKGKU-ABAIWWIYSA-N 1 1 380.401 0.169 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610900582 1186254969 /nfs/dbraw/zinc/25/49/69/1186254969.db2.gz BFGDXPAWQMRGSV-GXFFZTMASA-N 1 1 384.820 0.813 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610900582 1186254972 /nfs/dbraw/zinc/25/49/72/1186254972.db2.gz BFGDXPAWQMRGSV-GXFFZTMASA-N 1 1 384.820 0.813 20 5 GCBDMO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899653 1186255952 /nfs/dbraw/zinc/25/59/52/1186255952.db2.gz AOWPOPNLUQCXDM-HIFRSBDPSA-N 1 1 378.433 0.541 20 5 GCBDMO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899653 1186255958 /nfs/dbraw/zinc/25/59/58/1186255958.db2.gz AOWPOPNLUQCXDM-HIFRSBDPSA-N 1 1 378.433 0.541 20 5 GCBDMO NS(=O)(=O)c1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176209425 1186257243 /nfs/dbraw/zinc/25/72/43/1186257243.db2.gz OKRUSTOGZBINCH-UHFFFAOYSA-N 1 1 380.430 0.261 20 5 GCBDMO COc1cc(OCC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000262488534 1186301467 /nfs/dbraw/zinc/30/14/67/1186301467.db2.gz FUNLUXIOIOFRND-CYBMUJFWSA-N 1 1 392.412 0.405 20 5 GCBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262562094 1186305109 /nfs/dbraw/zinc/30/51/09/1186305109.db2.gz YYUANNXUYSEPIU-AWEZNQCLSA-N 1 1 396.469 0.797 20 5 GCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1C ZINC000563153139 1186312573 /nfs/dbraw/zinc/31/25/73/1186312573.db2.gz IWOQRQACBYMLDA-KBPBESRZSA-N 1 1 390.440 0.393 20 5 GCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1C ZINC000563153139 1186312576 /nfs/dbraw/zinc/31/25/76/1186312576.db2.gz IWOQRQACBYMLDA-KBPBESRZSA-N 1 1 390.440 0.393 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NCCCN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000611844662 1186657967 /nfs/dbraw/zinc/65/79/67/1186657967.db2.gz PWPMGFDKUSJPOK-UHFFFAOYSA-N 1 1 391.472 0.777 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NCCC[N@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000611844662 1186657970 /nfs/dbraw/zinc/65/79/70/1186657970.db2.gz PWPMGFDKUSJPOK-UHFFFAOYSA-N 1 1 391.472 0.777 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NCCC[N@@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000611844662 1186657972 /nfs/dbraw/zinc/65/79/72/1186657972.db2.gz PWPMGFDKUSJPOK-UHFFFAOYSA-N 1 1 391.472 0.777 20 5 GCBDMO NS(=O)(=O)c1cccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000612654798 1186731840 /nfs/dbraw/zinc/73/18/40/1186731840.db2.gz XQUDQGHYFIDWLR-CYBMUJFWSA-N 1 1 384.458 0.933 20 5 GCBDMO CC1(C)NC(=O)N(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000052610585 1186946539 /nfs/dbraw/zinc/94/65/39/1186946539.db2.gz SJPHBCKRQAMZQO-UHFFFAOYSA-N 1 1 376.417 0.832 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364986196 1187477788 /nfs/dbraw/zinc/47/77/88/1187477788.db2.gz SKKNXNZXLQFMSM-CHWSQXEVSA-N 1 1 399.425 0.523 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364986196 1187477798 /nfs/dbraw/zinc/47/77/98/1187477798.db2.gz SKKNXNZXLQFMSM-CHWSQXEVSA-N 1 1 399.425 0.523 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066304175 1187642814 /nfs/dbraw/zinc/64/28/14/1187642814.db2.gz VZQYORBZMJFWGH-UHFFFAOYSA-N 1 1 378.385 0.306 20 5 GCBDMO Cc1c(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000613033290 1187644896 /nfs/dbraw/zinc/64/48/96/1187644896.db2.gz MRMWPUCPRZEPLB-UHFFFAOYSA-N 1 1 382.442 0.932 20 5 GCBDMO CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414048813 1187666011 /nfs/dbraw/zinc/66/60/11/1187666011.db2.gz GTVNOOSIRJDROD-UHFFFAOYSA-N 1 1 378.429 0.894 20 5 GCBDMO CNc1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000613234198 1187703290 /nfs/dbraw/zinc/70/32/90/1187703290.db2.gz UGDFFJXNPUCTDJ-AWEZNQCLSA-N 1 1 377.445 0.773 20 5 GCBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000549008220 1187704078 /nfs/dbraw/zinc/70/40/78/1187704078.db2.gz GJSKIHYVHAUHBQ-CYBMUJFWSA-N 1 1 384.458 0.791 20 5 GCBDMO COC(=O)COc1ccc(CN2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000414483287 1187978536 /nfs/dbraw/zinc/97/85/36/1187978536.db2.gz FDALVFLUMVWYGW-AWEZNQCLSA-N 1 1 395.412 0.683 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102165304 1188158867 /nfs/dbraw/zinc/15/88/67/1188158867.db2.gz QCURTMHTRMQDPH-CYBMUJFWSA-N 1 1 379.392 0.870 20 5 GCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000290598060 1189419572 /nfs/dbraw/zinc/41/95/72/1189419572.db2.gz JEAGFDBCADCIIE-UHFFFAOYSA-N 1 1 397.501 0.786 20 5 GCBDMO CN(CCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000290598060 1189419579 /nfs/dbraw/zinc/41/95/79/1189419579.db2.gz JEAGFDBCADCIIE-UHFFFAOYSA-N 1 1 397.501 0.786 20 5 GCBDMO COC(=O)CC[N@H+](CC(OC)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000274350662 1189452920 /nfs/dbraw/zinc/45/29/20/1189452920.db2.gz WZVKQOQTGRMEDM-ZDUSSCGKSA-N 1 1 386.401 0.819 20 5 GCBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000378506274 1189523013 /nfs/dbraw/zinc/52/30/13/1189523013.db2.gz PMWSROZEKUDWHC-AWEZNQCLSA-N 1 1 392.412 0.460 20 5 GCBDMO COc1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000417204247 1189631942 /nfs/dbraw/zinc/63/19/42/1189631942.db2.gz ZYKAOHOFRNDHAY-CQSZACIVSA-N 1 1 391.428 0.709 20 5 GCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000110865526 1189881659 /nfs/dbraw/zinc/88/16/59/1189881659.db2.gz DKPZMCDSNVDDIM-UHFFFAOYSA-N 1 1 387.444 0.885 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000108132189 1190016665 /nfs/dbraw/zinc/01/66/65/1190016665.db2.gz IULIKYWPEZELJN-UHFFFAOYSA-N 1 1 385.424 0.695 20 5 GCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419362028 1193865322 /nfs/dbraw/zinc/86/53/22/1193865322.db2.gz UDXGWZGWWWLGBZ-CQSZACIVSA-N 1 1 378.385 0.677 20 5 GCBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](CCO)CC1 ZINC000015209311 1193901795 /nfs/dbraw/zinc/90/17/95/1193901795.db2.gz LVDXTHGPNAOGHC-UHFFFAOYSA-N 1 1 398.485 0.884 20 5 GCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000509921898 1193925806 /nfs/dbraw/zinc/92/58/06/1193925806.db2.gz CTRJERRBBWPANF-ZIAGYGMSSA-N 1 1 378.429 0.940 20 5 GCBDMO C[C@H]1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420256931 1194218393 /nfs/dbraw/zinc/21/83/93/1194218393.db2.gz HSKGXUPPSWBMSH-UONOGXRCSA-N 1 1 399.517 0.998 20 5 GCBDMO C[C@H]1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420256929 1194218674 /nfs/dbraw/zinc/21/86/74/1194218674.db2.gz HSKGXUPPSWBMSH-KBPBESRZSA-N 1 1 399.517 0.998 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000413500277 1194275838 /nfs/dbraw/zinc/27/58/38/1194275838.db2.gz OBBYVTMWDZJPSP-NSHDSACASA-N 1 1 386.430 0.044 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366946863 1194336768 /nfs/dbraw/zinc/33/67/68/1194336768.db2.gz UIWNZFXXUUDVEA-KGLIPLIRSA-N 1 1 392.412 0.911 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+](C)C1 ZINC000413910968 1194358422 /nfs/dbraw/zinc/35/84/22/1194358422.db2.gz YADPIXFTKBCCRB-CYBMUJFWSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+](C)C1 ZINC000413910968 1194358426 /nfs/dbraw/zinc/35/84/26/1194358426.db2.gz YADPIXFTKBCCRB-CYBMUJFWSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413919504 1194360299 /nfs/dbraw/zinc/36/02/99/1194360299.db2.gz MINCDHHWHNQTRB-AWEZNQCLSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413919504 1194360302 /nfs/dbraw/zinc/36/03/02/1194360302.db2.gz MINCDHHWHNQTRB-AWEZNQCLSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+](C)C1 ZINC000413922866 1194362647 /nfs/dbraw/zinc/36/26/47/1194362647.db2.gz QGCZEJAGYKEDJU-AWEZNQCLSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+](C)C1 ZINC000413922866 1194362650 /nfs/dbraw/zinc/36/26/50/1194362650.db2.gz QGCZEJAGYKEDJU-AWEZNQCLSA-N 1 1 387.396 0.957 20 5 GCBDMO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422287434 1194603176 /nfs/dbraw/zinc/60/31/76/1194603176.db2.gz YZQBZRHBJVCTCB-UHFFFAOYSA-N 1 1 392.460 0.487 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422984779 1194715423 /nfs/dbraw/zinc/71/54/23/1194715423.db2.gz ZDZZNAMZLHCFCJ-GOEBONIOSA-N 1 1 384.458 0.230 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423972500 1194797578 /nfs/dbraw/zinc/79/75/78/1194797578.db2.gz PHVPJUTYMDQJJB-INIZCTEOSA-N 1 1 397.391 0.888 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425052412 1194836977 /nfs/dbraw/zinc/83/69/77/1194836977.db2.gz VPBBINFAABUYPG-DZGCQCFKSA-N 1 1 376.413 0.886 20 5 GCBDMO CC1(C)CC[N@@H+](CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000514613105 1194887900 /nfs/dbraw/zinc/88/79/00/1194887900.db2.gz BGWSSGDYSFGXQW-UHFFFAOYSA-N 1 1 384.458 0.721 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000425320583 1194910672 /nfs/dbraw/zinc/91/06/72/1194910672.db2.gz RCQVFFCLFUIEAL-CYBMUJFWSA-N 1 1 394.428 0.512 20 5 GCBDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000514938925 1194931494 /nfs/dbraw/zinc/93/14/94/1194931494.db2.gz JJXDSBMNYKVYAS-UHFFFAOYSA-N 1 1 382.392 0.565 20 5 GCBDMO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000515387551 1194971111 /nfs/dbraw/zinc/97/11/11/1194971111.db2.gz GLQOPNLLGSLBJX-UHFFFAOYSA-N 1 1 398.379 0.934 20 5 GCBDMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425546367 1195006035 /nfs/dbraw/zinc/00/60/35/1195006035.db2.gz RNFGEOQBVCGDRU-CQSZACIVSA-N 1 1 387.396 0.770 20 5 GCBDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000439937985 1195368624 /nfs/dbraw/zinc/36/86/24/1195368624.db2.gz CSPRMLTWUQDZOI-SMDDNHRTSA-N 1 1 383.430 0.493 20 5 GCBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184201030 1195443498 /nfs/dbraw/zinc/44/34/98/1195443498.db2.gz MFFALQJRTLKFRN-UHFFFAOYSA-N 1 1 391.472 0.857 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000442046061 1195948820 /nfs/dbraw/zinc/94/88/20/1195948820.db2.gz RKCYNPKQKIYRRG-QGZVFWFLSA-N 1 1 380.401 0.041 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521499124 1195998891 /nfs/dbraw/zinc/99/88/91/1195998891.db2.gz XGFOFYLJTWQCHS-CYBMUJFWSA-N 1 1 392.412 0.996 20 5 GCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000151615792 1196055223 /nfs/dbraw/zinc/05/52/23/1196055223.db2.gz SSBUGIUEALAMHU-MRXNPFEDSA-N 1 1 375.429 0.697 20 5 GCBDMO CNC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000151620597 1196063708 /nfs/dbraw/zinc/06/37/08/1196063708.db2.gz MQCBRKNWQVLXFY-OAHLLOKOSA-N 1 1 375.429 0.697 20 5 GCBDMO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1 ZINC000439277135 1196067712 /nfs/dbraw/zinc/06/77/12/1196067712.db2.gz NPCPSQWTAXTHOB-UHFFFAOYSA-N 1 1 399.425 0.633 20 5 GCBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000474359439 1196111718 /nfs/dbraw/zinc/11/17/18/1196111718.db2.gz DOLOMNVPLJTERF-CQSZACIVSA-N 1 1 380.445 0.872 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896240057 1196138883 /nfs/dbraw/zinc/13/88/83/1196138883.db2.gz OSAYNKIMKKJSRV-UHFFFAOYSA-N 1 1 391.428 0.729 20 5 GCBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469833484 1196185903 /nfs/dbraw/zinc/18/59/03/1196185903.db2.gz ZLEBDRCRXLBIAR-HNNXBMFYSA-N 1 1 384.458 0.963 20 5 GCBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469833484 1196185904 /nfs/dbraw/zinc/18/59/04/1196185904.db2.gz ZLEBDRCRXLBIAR-HNNXBMFYSA-N 1 1 384.458 0.963 20 5 GCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280908610 1196265615 /nfs/dbraw/zinc/26/56/15/1196265615.db2.gz IHUNWFCDIKEGCD-QWHCGFSZSA-N 1 1 384.458 0.672 20 5 GCBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)cc2n(C)c1=O ZINC000897218055 1196405835 /nfs/dbraw/zinc/40/58/35/1196405835.db2.gz AOQUMBDWSKMYFQ-CHWSQXEVSA-N 1 1 375.429 0.821 20 5 GCBDMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523121470 1196490869 /nfs/dbraw/zinc/49/08/69/1196490869.db2.gz ANCOUTWFJNLHKS-CVEARBPZSA-N 1 1 396.469 0.958 20 5 GCBDMO C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000523170543 1196499424 /nfs/dbraw/zinc/49/94/24/1196499424.db2.gz SIIQVCHQJNOCDK-ZDUSSCGKSA-N 1 1 392.412 0.405 20 5 GCBDMO CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440497830 1196509380 /nfs/dbraw/zinc/50/93/80/1196509380.db2.gz IJXKLZOPDNOBLR-CQSZACIVSA-N 1 1 376.417 0.167 20 5 GCBDMO CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440497830 1196509382 /nfs/dbraw/zinc/50/93/82/1196509382.db2.gz IJXKLZOPDNOBLR-CQSZACIVSA-N 1 1 376.417 0.167 20 5 GCBDMO NS(=O)(=O)[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000544398092 1196548561 /nfs/dbraw/zinc/54/85/61/1196548561.db2.gz QWYDXLCEUTXEQZ-LBPRGKRZSA-N 1 1 384.414 0.646 20 5 GCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000544398092 1196548566 /nfs/dbraw/zinc/54/85/66/1196548566.db2.gz QWYDXLCEUTXEQZ-LBPRGKRZSA-N 1 1 384.414 0.646 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000523988046 1196570921 /nfs/dbraw/zinc/57/09/21/1196570921.db2.gz OOOQWPSWADPORS-LBPRGKRZSA-N 1 1 397.457 0.409 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000525335260 1196670929 /nfs/dbraw/zinc/67/09/29/1196670929.db2.gz SEJIIJDRJRAELE-HNNXBMFYSA-N 1 1 395.508 0.971 20 5 GCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804693 1196711030 /nfs/dbraw/zinc/71/10/30/1196711030.db2.gz KHKMYWHYRDUBFL-CYBMUJFWSA-N 1 1 384.458 0.673 20 5 GCBDMO COC(=O)[C@H](O)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000441249555 1196712849 /nfs/dbraw/zinc/71/28/49/1196712849.db2.gz XLMNSDQPNFFDDE-JKSUJKDBSA-N 1 1 377.397 0.946 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448932601 1196840674 /nfs/dbraw/zinc/84/06/74/1196840674.db2.gz KGGGEQAQMSPLCV-OAHLLOKOSA-N 1 1 386.412 0.850 20 5 GCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452388790 1197056468 /nfs/dbraw/zinc/05/64/68/1197056468.db2.gz KNJJVTOWILGISY-AWEZNQCLSA-N 1 1 379.413 0.872 20 5 GCBDMO COc1ccc(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000531824420 1197099521 /nfs/dbraw/zinc/09/95/21/1197099521.db2.gz ZUWSYBZIVHXOKP-CQSZACIVSA-N 1 1 399.469 0.723 20 5 GCBDMO COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000532241122 1197131198 /nfs/dbraw/zinc/13/11/98/1197131198.db2.gz FCKHBXLHGMHTEF-OAHLLOKOSA-N 1 1 390.440 0.911 20 5 GCBDMO CN(C)S(=O)(=O)c1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829391 1197365532 /nfs/dbraw/zinc/36/55/32/1197365532.db2.gz XLOMJKRXVBTKJO-UHFFFAOYSA-N 1 1 386.474 0.738 20 5 GCBDMO CN(C)S(=O)(=O)c1ccc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829391 1197365534 /nfs/dbraw/zinc/36/55/34/1197365534.db2.gz XLOMJKRXVBTKJO-UHFFFAOYSA-N 1 1 386.474 0.738 20 5 GCBDMO CS(=O)(=O)c1ccc(N2CCN(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000533491390 1197454050 /nfs/dbraw/zinc/45/40/50/1197454050.db2.gz SMLSIVYGGBSYIG-UHFFFAOYSA-N 1 1 398.485 0.453 20 5 GCBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273485095 1199021593 /nfs/dbraw/zinc/02/15/93/1199021593.db2.gz GNGKCYRCYMSJSY-UHFFFAOYSA-N 1 1 389.430 0.628 20 5 GCBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000554245872 1199047536 /nfs/dbraw/zinc/04/75/36/1199047536.db2.gz ASDCNZLJJYXRTI-TZMCWYRMSA-N 1 1 379.413 0.822 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000554335177 1199048992 /nfs/dbraw/zinc/04/89/92/1199048992.db2.gz DTGAIQVRDOEJFY-LSDHHAIUSA-N 1 1 389.456 0.842 20 5 GCBDMO C[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C[NH+]1CCOCC1 ZINC000265749075 1199115649 /nfs/dbraw/zinc/11/56/49/1199115649.db2.gz WPYFXRVRXMBRQA-GFCCVEGCSA-N 1 1 390.396 0.275 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000265758149 1199127570 /nfs/dbraw/zinc/12/75/70/1199127570.db2.gz APCFKOCBRDHIPM-UHFFFAOYSA-N 1 1 380.401 0.002 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000170945700 1199166763 /nfs/dbraw/zinc/16/67/63/1199166763.db2.gz RBDSGHUAKDEFBM-UHFFFAOYSA-N 1 1 388.428 0.937 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000265805002 1199281118 /nfs/dbraw/zinc/28/11/18/1199281118.db2.gz YAOHEOXJYRTCRB-ZDUSSCGKSA-N 1 1 386.412 0.795 20 5 GCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000162249802 1199934343 /nfs/dbraw/zinc/93/43/43/1199934343.db2.gz SEKQOVJFFSBUAB-UHFFFAOYSA-N 1 1 386.412 0.252 20 5 GCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000282499487 1200087656 /nfs/dbraw/zinc/08/76/56/1200087656.db2.gz NBHWKVLQAPUAKU-GFCCVEGCSA-N 1 1 395.435 0.981 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000172198950 1200266056 /nfs/dbraw/zinc/26/60/56/1200266056.db2.gz RCXYYNGRGJZOSE-UHFFFAOYSA-N 1 1 386.412 0.674 20 5 GCBDMO CNc1nccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000582794280 1200739404 /nfs/dbraw/zinc/73/94/04/1200739404.db2.gz IHJDGAPHXDZGNT-UHFFFAOYSA-N 1 1 376.461 1.320 20 5 GCBDMO CNc1nccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539398 1200740587 /nfs/dbraw/zinc/74/05/87/1200740587.db2.gz QVJNPQZSBYJFOZ-GJZGRUSLSA-N 1 1 385.424 1.397 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000611242567 1201224915 /nfs/dbraw/zinc/22/49/15/1201224915.db2.gz VZCRMZIRKDUHDD-OAHLLOKOSA-N 1 1 397.457 0.161 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000731621063 1201491022 /nfs/dbraw/zinc/49/10/22/1201491022.db2.gz CNEKIDCIEKCIPP-KBPBESRZSA-N 1 1 393.396 0.774 20 5 GCBDMO C[NH+]1CCN(C(=O)CCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000282641044 1201616993 /nfs/dbraw/zinc/61/69/93/1201616993.db2.gz BQFNVMKBQHJVOV-UHFFFAOYSA-N 1 1 389.456 0.517 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000743262168 1201815588 /nfs/dbraw/zinc/81/55/88/1201815588.db2.gz RQVXEDRTRLINRM-CQSZACIVSA-N 1 1 377.361 0.278 20 5 GCBDMO O=C([C@H]1Cn2nccc2C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCOCC1 ZINC001169021271 1201931112 /nfs/dbraw/zinc/93/11/12/1201931112.db2.gz KFLOCBSVNMVUOW-ARFHVFGLSA-N 1 1 377.445 0.619 20 5 GCBDMO O=C([C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCOCC1 ZINC001169021271 1201931114 /nfs/dbraw/zinc/93/11/14/1201931114.db2.gz KFLOCBSVNMVUOW-ARFHVFGLSA-N 1 1 377.445 0.619 20 5 GCBDMO CNC(=O)[C@]12C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001169019162 1201931179 /nfs/dbraw/zinc/93/11/79/1201931179.db2.gz FBSNVLCVUCWJQS-YKTARERQSA-N 1 1 388.472 0.939 20 5 GCBDMO Cn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001169025447 1201931429 /nfs/dbraw/zinc/93/14/29/1201931429.db2.gz JAUCMGDSEWAJQB-BMQFZULRSA-N 1 1 377.445 0.827 20 5 GCBDMO Cc1[nH+]ccn1CCCOC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000767545875 1201977515 /nfs/dbraw/zinc/97/75/15/1201977515.db2.gz DJISNLWUPQRXOV-UHFFFAOYSA-N 1 1 397.413 0.793 20 5 GCBDMO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000767735883 1201985841 /nfs/dbraw/zinc/98/58/41/1201985841.db2.gz QBDVPJBAGKJVMT-UHFFFAOYSA-N 1 1 394.457 0.985 20 5 GCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C1 ZINC000768462325 1202017558 /nfs/dbraw/zinc/01/75/58/1202017558.db2.gz AHZFYYAYRUYRQS-LBPRGKRZSA-N 1 1 397.388 0.138 20 5 GCBDMO C[C@H](CN1CCOCC1)[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000788377690 1205421035 /nfs/dbraw/zinc/42/10/35/1205421035.db2.gz OGHLVERBWFMSQN-CQSZACIVSA-N 1 1 391.428 0.973 20 5 GCBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000788377690 1205421036 /nfs/dbraw/zinc/42/10/36/1205421036.db2.gz OGHLVERBWFMSQN-CQSZACIVSA-N 1 1 391.428 0.973 20 5 GCBDMO COC(=O)C(C(=O)OC)c1cc(-n2[nH]c(=O)c(CC[NH3+])c2C)ccc1[N+](=O)[O-] ZINC001170344470 1205491170 /nfs/dbraw/zinc/49/11/70/1205491170.db2.gz MMCBTTPHNRBNLI-UHFFFAOYSA-N 1 1 392.368 0.725 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000793873360 1205508330 /nfs/dbraw/zinc/50/83/30/1205508330.db2.gz UVWZDHHLABAZRE-OLZOCXBDSA-N 1 1 395.412 0.708 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000793873360 1205508333 /nfs/dbraw/zinc/50/83/33/1205508333.db2.gz UVWZDHHLABAZRE-OLZOCXBDSA-N 1 1 395.412 0.708 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000793873362 1205508489 /nfs/dbraw/zinc/50/84/89/1205508489.db2.gz UVWZDHHLABAZRE-QWHCGFSZSA-N 1 1 395.412 0.708 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000793873362 1205508492 /nfs/dbraw/zinc/50/84/92/1205508492.db2.gz UVWZDHHLABAZRE-QWHCGFSZSA-N 1 1 395.412 0.708 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@H+]1C ZINC000806039934 1205549377 /nfs/dbraw/zinc/54/93/77/1205549377.db2.gz HUVPUEKCUUJGOK-GJZGRUSLSA-N 1 1 389.456 0.842 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@H+]1C ZINC000806039936 1205549551 /nfs/dbraw/zinc/54/95/51/1205549551.db2.gz HUVPUEKCUUJGOK-LSDHHAIUSA-N 1 1 389.456 0.842 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747341725 1205561074 /nfs/dbraw/zinc/56/10/74/1205561074.db2.gz IBFJUGMVWIRKLW-ZIAGYGMSSA-N 1 1 390.396 0.300 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172324 1205673725 /nfs/dbraw/zinc/67/37/25/1205673725.db2.gz IYTWCKIGASXNSU-ZDUSSCGKSA-N 1 1 376.329 0.912 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172324 1205673726 /nfs/dbraw/zinc/67/37/26/1205673726.db2.gz IYTWCKIGASXNSU-ZDUSSCGKSA-N 1 1 376.329 0.912 20 5 GCBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001133923522 1205680500 /nfs/dbraw/zinc/68/05/00/1205680500.db2.gz OWHSSCOLDDRQLF-ZBFHGGJFSA-N 1 1 396.469 0.958 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173697862 1205726547 /nfs/dbraw/zinc/72/65/47/1205726547.db2.gz WPFHMGCMICJMTQ-ZDUSSCGKSA-N 1 1 396.469 0.945 20 5 GCBDMO COC(=O)C1C[NH+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173697675 1205726680 /nfs/dbraw/zinc/72/66/80/1205726680.db2.gz UXEHIHJDUNIINJ-UHFFFAOYSA-N 1 1 383.426 0.853 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC001175716355 1205740405 /nfs/dbraw/zinc/74/04/05/1205740405.db2.gz UCJWRJYMHUEVIQ-HNNXBMFYSA-N 1 1 383.401 0.988 20 5 GCBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001175934201 1205742625 /nfs/dbraw/zinc/74/26/25/1205742625.db2.gz WPNXHQDQWSTNGD-CQSZACIVSA-N 1 1 394.476 0.968 20 5 GCBDMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001177567138 1205772114 /nfs/dbraw/zinc/77/21/14/1205772114.db2.gz RSSQHNQBOBBEDA-CQSZACIVSA-N 1 1 386.412 0.433 20 5 GCBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001181485343 1205845682 /nfs/dbraw/zinc/84/56/82/1205845682.db2.gz HLRIURWODXNHGI-LLVKDONJSA-N 1 1 384.820 0.906 20 5 GCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001187190288 1205956318 /nfs/dbraw/zinc/95/63/18/1205956318.db2.gz NINQLSHTDBKFML-UHFFFAOYSA-N 1 1 376.460 0.270 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164720521 720281601 /nfs/dbraw/zinc/28/16/01/720281601.db2.gz AJJNTNZWNHPRIL-KRWDZBQOSA-N 1 1 378.433 0.237 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3N)C2)C1 ZINC001164720521 720281620 /nfs/dbraw/zinc/28/16/20/720281620.db2.gz AJJNTNZWNHPRIL-KRWDZBQOSA-N 1 1 378.433 0.237 20 5 GCBDMO Cn1cc(CN2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C[C@H]3C2)cn1 ZINC001164761942 721249725 /nfs/dbraw/zinc/24/97/25/721249725.db2.gz KRMSSKPTKQFGEO-GDBMZVCRSA-N 1 1 398.471 0.763 20 5 GCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967938 722077660 /nfs/dbraw/zinc/07/76/60/722077660.db2.gz NAHSKYGWNIWBBC-OKILXGFUSA-N 1 1 376.417 0.951 20 5 GCBDMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000045649140 530139519 /nfs/dbraw/zinc/13/95/19/530139519.db2.gz RUSYXTBQSRXMCC-UHFFFAOYSA-N 1 1 387.234 0.906 20 5 GCBDMO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599104513 530159276 /nfs/dbraw/zinc/15/92/76/530159276.db2.gz COGNQKZPUATLIE-SECBINFHSA-N 1 1 380.220 0.624 20 5 GCBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000599108987 530159877 /nfs/dbraw/zinc/15/98/77/530159877.db2.gz YAZZYEIPIFNESR-VIFPVBQESA-N 1 1 380.220 0.624 20 5 GCBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579229480 530179573 /nfs/dbraw/zinc/17/95/73/530179573.db2.gz CPMROOPZBPMRGL-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000613012907 530271970 /nfs/dbraw/zinc/27/19/70/530271970.db2.gz URPZTNYSCNSARX-LBPRGKRZSA-N 1 1 394.247 0.702 20 5 GCBDMO NC(=O)[C@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000566418576 530379260 /nfs/dbraw/zinc/37/92/60/530379260.db2.gz HEIPYAYVJLDVAG-LBPRGKRZSA-N 1 1 391.165 0.933 20 5 GCBDMO NC(=O)c1ccc(SCC(=O)NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000264803129 530456891 /nfs/dbraw/zinc/45/68/91/530456891.db2.gz NJJUJIJVWUOKJA-UHFFFAOYSA-N 1 1 384.483 0.951 20 5 GCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000545160339 530653254 /nfs/dbraw/zinc/65/32/54/530653254.db2.gz QBPNZEBIVRCWSV-GFCCVEGCSA-N 1 1 394.247 0.702 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000546574332 530695986 /nfs/dbraw/zinc/69/59/86/530695986.db2.gz KZOYWETVGKMMFU-LBPRGKRZSA-N 1 1 383.348 0.959 20 5 GCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594842395 530886744 /nfs/dbraw/zinc/88/67/44/530886744.db2.gz GEDNWNOUKGGSMT-UHFFFAOYSA-N 1 1 392.865 0.889 20 5 GCBDMO Cc1sc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467391564 530915361 /nfs/dbraw/zinc/91/53/61/530915361.db2.gz CBHCTMQJVDBOFH-NSHDSACASA-N 1 1 390.487 0.830 20 5 GCBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000738374167 599124691 /nfs/dbraw/zinc/12/46/91/599124691.db2.gz JZNRQVLJLYUOPY-UHFFFAOYSA-N 1 1 387.379 0.933 20 5 GCBDMO O=c1ccccn1CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000738379348 598503235 /nfs/dbraw/zinc/50/32/35/598503235.db2.gz GPMWBPBSUHIMOH-UHFFFAOYSA-N 1 1 397.399 0.154 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1-c1nn[nH]n1 ZINC000826500460 607586396 /nfs/dbraw/zinc/58/63/96/607586396.db2.gz ZBMDBCSRHBEBLV-UHFFFAOYSA-N 1 1 395.445 0.929 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1-c1nn[nH]n1 ZINC000826500410 607589604 /nfs/dbraw/zinc/58/96/04/607589604.db2.gz XQSDBCSSCAQEAP-GHMZBOCLSA-N 1 1 393.429 0.680 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1-c1nn[nH]n1 ZINC000826500410 607589605 /nfs/dbraw/zinc/58/96/05/607589605.db2.gz XQSDBCSSCAQEAP-GHMZBOCLSA-N 1 1 393.429 0.680 20 5 GCBDMO CC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000825453610 607595210 /nfs/dbraw/zinc/59/52/10/607595210.db2.gz VYMWSECEYKRDGY-UHFFFAOYSA-N 1 1 395.445 0.785 20 5 GCBDMO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825854471 607662356 /nfs/dbraw/zinc/66/23/56/607662356.db2.gz BNTIPVVLSJSXHH-MNOVXSKESA-N 1 1 395.445 0.926 20 5 GCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000822472646 606700969 /nfs/dbraw/zinc/70/09/69/606700969.db2.gz WFBMRTRILMFXTG-UHFFFAOYSA-N 1 1 375.397 0.150 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000822860321 606707663 /nfs/dbraw/zinc/70/76/63/606707663.db2.gz RGNPENRLUHUJLT-SNVBAGLBSA-N 1 1 375.393 0.169 20 5 GCBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750939 606734434 /nfs/dbraw/zinc/73/44/34/606734434.db2.gz DOHGJNSWTFHZRM-MNOVXSKESA-N 1 1 395.445 0.736 20 5 GCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750939 606734435 /nfs/dbraw/zinc/73/44/35/606734435.db2.gz DOHGJNSWTFHZRM-MNOVXSKESA-N 1 1 395.445 0.736 20 5 GCBDMO CN(CC(=O)NCC[N@@H+](C)CCO)c1cc(Br)ccc1[N+](=O)[O-] ZINC000899738119 639273216 /nfs/dbraw/zinc/27/32/16/639273216.db2.gz SBGZJTTVHUJUSC-UHFFFAOYSA-N 1 1 389.250 0.834 20 5 GCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Cl ZINC000761524343 640594786 /nfs/dbraw/zinc/59/47/86/640594786.db2.gz BLVKDDZJJZZHDR-DZGCQCFKSA-N 1 1 389.861 0.836 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768831140 640761557 /nfs/dbraw/zinc/76/15/57/640761557.db2.gz AIUJUOZMPQRKMF-LBPRGKRZSA-N 1 1 388.471 0.759 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768831140 640761563 /nfs/dbraw/zinc/76/15/63/640761563.db2.gz AIUJUOZMPQRKMF-LBPRGKRZSA-N 1 1 388.471 0.759 20 5 GCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000842859621 642355179 /nfs/dbraw/zinc/35/51/79/642355179.db2.gz QBXGWZAVEHLXIT-GFCCVEGCSA-N 1 1 375.378 0.568 20 5 GCBDMO CN1CC[N@@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000511937551 1192217003 /nfs/dbraw/zinc/21/70/03/1192217003.db2.gz HKWAITCAMAEACM-MRXNPFEDSA-N 1 1 387.444 0.681 20 5 GCBDMO C[N@@H+]1CCN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000511937551 1192217006 /nfs/dbraw/zinc/21/70/06/1192217006.db2.gz HKWAITCAMAEACM-MRXNPFEDSA-N 1 1 387.444 0.681 20 5 GCBDMO C[N@H+]1CCN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000511937551 1192217010 /nfs/dbraw/zinc/21/70/10/1192217010.db2.gz HKWAITCAMAEACM-MRXNPFEDSA-N 1 1 387.444 0.681 20 5 GCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278913625 1192356811 /nfs/dbraw/zinc/35/68/11/1192356811.db2.gz QSKCGWOINKLEBX-HUUCEWRRSA-N 1 1 399.469 0.834 20 5 GCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278913625 1192356821 /nfs/dbraw/zinc/35/68/21/1192356821.db2.gz QSKCGWOINKLEBX-HUUCEWRRSA-N 1 1 399.469 0.834 20 5 GCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512133070 1192467352 /nfs/dbraw/zinc/46/73/52/1192467352.db2.gz XPEFYLVCKGJUQJ-VXGBXAGGSA-N 1 1 399.473 0.595 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000265122173 1192471769 /nfs/dbraw/zinc/47/17/69/1192471769.db2.gz NYZDQTMOKZHFKB-UHFFFAOYSA-N 1 1 378.385 0.260 20 5 GCBDMO COc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000279683228 1192577210 /nfs/dbraw/zinc/57/72/10/1192577210.db2.gz FKIJYWLLBMAHFW-ZDUSSCGKSA-N 1 1 385.442 0.794 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000500696876 1192710911 /nfs/dbraw/zinc/71/09/11/1192710911.db2.gz SXWHYVCQLODLQQ-OAHLLOKOSA-N 1 1 398.485 0.644 20 5 GCBDMO C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@@H+](C)C1CC1 ZINC000557565283 1184083728 /nfs/dbraw/zinc/08/37/28/1184083728.db2.gz YTBFKWGXYKAKIN-CQSZACIVSA-N 1 1 389.456 0.842 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452272 1184164472 /nfs/dbraw/zinc/16/44/72/1184164472.db2.gz IHBDWXGWPQLNSM-GUYCJALGSA-N 1 1 390.440 0.771 20 5 GCBDMO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275033701 1184468704 /nfs/dbraw/zinc/46/87/04/1184468704.db2.gz WRNPTXIDNRXOQV-UHFFFAOYSA-N 1 1 398.423 0.385 20 5 GCBDMO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275033701 1184468705 /nfs/dbraw/zinc/46/87/05/1184468705.db2.gz WRNPTXIDNRXOQV-UHFFFAOYSA-N 1 1 398.423 0.385 20 5 GCBDMO CCc1[nH]nc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110742 1184518499 /nfs/dbraw/zinc/51/84/99/1184518499.db2.gz KNJCNEQBSPZXHV-NSHDSACASA-N 1 1 387.462 0.461 20 5 GCBDMO Cn1cc([C@H](CO)[NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000275169879 1184539485 /nfs/dbraw/zinc/53/94/85/1184539485.db2.gz KXVGQBRBCVHSFH-KRWDZBQOSA-N 1 1 388.428 0.300 20 5 GCBDMO CC[NH+]1CCN(CCCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000274500272 1184673442 /nfs/dbraw/zinc/67/34/42/1184673442.db2.gz HWZGZSRZPGXUSL-UHFFFAOYSA-N 1 1 391.472 0.859 20 5 GCBDMO O=C(C[N@H+](CCO)C1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275455994 1184675302 /nfs/dbraw/zinc/67/53/02/1184675302.db2.gz BJRVPBSEDIJABL-UHFFFAOYSA-N 1 1 392.456 0.717 20 5 GCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000275464037 1184678919 /nfs/dbraw/zinc/67/89/19/1184678919.db2.gz QDRUYNYGEYIQEB-CYBMUJFWSA-N 1 1 378.429 0.628 20 5 GCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000275509372 1184692974 /nfs/dbraw/zinc/69/29/74/1184692974.db2.gz ZKQCBXSRLWQWIJ-CQSZACIVSA-N 1 1 378.429 0.570 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000120930754 1184751778 /nfs/dbraw/zinc/75/17/78/1184751778.db2.gz FTCRQFPWBHRYKQ-UHFFFAOYSA-N 1 1 393.835 0.778 20 5 GCBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000275839137 1185172011 /nfs/dbraw/zinc/17/20/11/1185172011.db2.gz LRFJMORYNMQDCC-UHFFFAOYSA-N 1 1 378.429 0.884 20 5 GCBDMO O=C(NCC[N@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000275839137 1185172013 /nfs/dbraw/zinc/17/20/13/1185172013.db2.gz LRFJMORYNMQDCC-UHFFFAOYSA-N 1 1 378.429 0.884 20 5 GCBDMO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)[N@H+]1C ZINC000580760320 1185346991 /nfs/dbraw/zinc/34/69/91/1185346991.db2.gz VLOLLCRAABLJOM-OKILXGFUSA-N 1 1 390.444 0.189 20 5 GCBDMO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)[N@@H+]1C ZINC000580760320 1185346996 /nfs/dbraw/zinc/34/69/96/1185346996.db2.gz VLOLLCRAABLJOM-OKILXGFUSA-N 1 1 390.444 0.189 20 5 GCBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426859 1185673029 /nfs/dbraw/zinc/67/30/29/1185673029.db2.gz GOMRHNSEGUVSIU-GFCCVEGCSA-N 1 1 382.442 0.765 20 5 GCBDMO C[C@@H]1C[N@H+](CCN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000276254566 1185711824 /nfs/dbraw/zinc/71/18/24/1185711824.db2.gz AAANKKRYXQTLBO-OAHLLOKOSA-N 1 1 398.485 0.622 20 5 GCBDMO C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000276254566 1185711826 /nfs/dbraw/zinc/71/18/26/1185711826.db2.gz AAANKKRYXQTLBO-OAHLLOKOSA-N 1 1 398.485 0.622 20 5 GCBDMO COc1ccc(NC(=O)CCN(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430617465 1185789765 /nfs/dbraw/zinc/78/97/65/1185789765.db2.gz MXVAVUFEDCGCQW-UHFFFAOYSA-N 1 1 379.417 0.296 20 5 GCBDMO Nc1nccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000548385426 1186034476 /nfs/dbraw/zinc/03/44/76/1186034476.db2.gz YRIFQSQSPBMRPO-UHFFFAOYSA-N 1 1 386.416 0.304 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900653 1186253570 /nfs/dbraw/zinc/25/35/70/1186253570.db2.gz FMFRDWXRKFKGKU-XHDPSFHLSA-N 1 1 380.401 0.169 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900653 1186253577 /nfs/dbraw/zinc/25/35/77/1186253577.db2.gz FMFRDWXRKFKGKU-XHDPSFHLSA-N 1 1 380.401 0.169 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909448 1186258821 /nfs/dbraw/zinc/25/88/21/1186258821.db2.gz PRRKTUFYVGVADV-XHDPSFHLSA-N 1 1 380.401 0.629 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610909448 1186258826 /nfs/dbraw/zinc/25/88/26/1186258826.db2.gz PRRKTUFYVGVADV-XHDPSFHLSA-N 1 1 380.401 0.629 20 5 GCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262527882 1186304073 /nfs/dbraw/zinc/30/40/73/1186304073.db2.gz OCACTMPZRVBMFH-ZDUSSCGKSA-N 1 1 382.442 0.488 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262532080 1186304614 /nfs/dbraw/zinc/30/46/14/1186304614.db2.gz PGSTWPJCBVIGQF-CYBMUJFWSA-N 1 1 398.441 0.188 20 5 GCBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1C ZINC000262551453 1186305512 /nfs/dbraw/zinc/30/55/12/1186305512.db2.gz UYSQKEJRSHFOMU-AWEZNQCLSA-N 1 1 396.469 0.797 20 5 GCBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1C ZINC000262551454 1186305593 /nfs/dbraw/zinc/30/55/93/1186305593.db2.gz UYSQKEJRSHFOMU-CQSZACIVSA-N 1 1 396.469 0.797 20 5 GCBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000582072339 1186397230 /nfs/dbraw/zinc/39/72/30/1186397230.db2.gz UISOPVKRCIXSPJ-BETUJISGSA-N 1 1 384.458 0.814 20 5 GCBDMO Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277686845 1186563641 /nfs/dbraw/zinc/56/36/41/1186563641.db2.gz GVQWXSJXHWIGMC-LESCRADOSA-N 1 1 376.413 0.776 20 5 GCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001648917234 1186638499 /nfs/dbraw/zinc/63/84/99/1186638499.db2.gz CRDRTOBIAUUESL-VBNZEHGJSA-N 1 1 396.469 0.720 20 5 GCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001648917233 1186638743 /nfs/dbraw/zinc/63/87/43/1186638743.db2.gz CRDRTOBIAUUESL-RCBQFDQVSA-N 1 1 396.469 0.720 20 5 GCBDMO COCC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000611835969 1186656153 /nfs/dbraw/zinc/65/61/53/1186656153.db2.gz DKIJHAURCHHDCW-HNNXBMFYSA-N 1 1 378.429 0.860 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277880895 1186661514 /nfs/dbraw/zinc/66/15/14/1186661514.db2.gz MOHDBUKEDGCTRV-UHFFFAOYSA-N 1 1 389.416 0.481 20 5 GCBDMO CS(=O)(=O)c1ccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000582855430 1186712405 /nfs/dbraw/zinc/71/24/05/1186712405.db2.gz RPKKSYGGKSFDFI-UHFFFAOYSA-N 1 1 379.398 0.684 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000061524680 1186754641 /nfs/dbraw/zinc/75/46/41/1186754641.db2.gz CPLZDLFIZGRTPC-AWEZNQCLSA-N 1 1 377.445 0.467 20 5 GCBDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000583508051 1186873535 /nfs/dbraw/zinc/87/35/35/1186873535.db2.gz YQECGPJUVYKQEG-CYBMUJFWSA-N 1 1 386.474 0.353 20 5 GCBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278292053 1186875726 /nfs/dbraw/zinc/87/57/26/1186875726.db2.gz ZXWLISSVZMQADP-LBPRGKRZSA-N 1 1 375.433 0.906 20 5 GCBDMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000163262314 1186899189 /nfs/dbraw/zinc/89/91/89/1186899189.db2.gz KXWALHZWUXSYAD-LLVKDONJSA-N 1 1 389.334 0.465 20 5 GCBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388873 1186925479 /nfs/dbraw/zinc/92/54/79/1186925479.db2.gz VBIFQMCUSOAQNO-QGPMSJSTSA-N 1 1 384.429 0.680 20 5 GCBDMO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000458656943 1186928527 /nfs/dbraw/zinc/92/85/27/1186928527.db2.gz KESRSOYTFLPFIW-DOMZBBRYSA-N 1 1 382.442 0.714 20 5 GCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000458656943 1186928530 /nfs/dbraw/zinc/92/85/30/1186928530.db2.gz KESRSOYTFLPFIW-DOMZBBRYSA-N 1 1 382.442 0.714 20 5 GCBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000052694552 1186963789 /nfs/dbraw/zinc/96/37/89/1186963789.db2.gz KDNSJUKOYAYPOV-ZFWWWQNUSA-N 1 1 387.458 0.596 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000611896605 1187094987 /nfs/dbraw/zinc/09/49/87/1187094987.db2.gz WOMJRCKQKSUOHI-UKRRQHHQSA-N 1 1 392.412 0.600 20 5 GCBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000364499059 1187445922 /nfs/dbraw/zinc/44/59/22/1187445922.db2.gz FQRMMZJHSXYMCW-ZNMIVQPWSA-N 1 1 378.429 0.857 20 5 GCBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000364499059 1187445923 /nfs/dbraw/zinc/44/59/23/1187445923.db2.gz FQRMMZJHSXYMCW-ZNMIVQPWSA-N 1 1 378.429 0.857 20 5 GCBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364848749 1187467631 /nfs/dbraw/zinc/46/76/31/1187467631.db2.gz CNARUPLJAGEELD-ZIAGYGMSSA-N 1 1 387.458 0.737 20 5 GCBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364848749 1187467636 /nfs/dbraw/zinc/46/76/36/1187467636.db2.gz CNARUPLJAGEELD-ZIAGYGMSSA-N 1 1 387.458 0.737 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000411753954 1187510999 /nfs/dbraw/zinc/51/09/99/1187510999.db2.gz GXZOSKATWPAKBO-LBPRGKRZSA-N 1 1 378.385 0.405 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+](C)C1 ZINC000411753954 1187511002 /nfs/dbraw/zinc/51/10/02/1187511002.db2.gz GXZOSKATWPAKBO-LBPRGKRZSA-N 1 1 378.385 0.405 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411758835 1187511434 /nfs/dbraw/zinc/51/14/34/1187511434.db2.gz OJCOXJWRJXMKBW-JTQLQIEISA-N 1 1 382.348 0.236 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411758835 1187511437 /nfs/dbraw/zinc/51/14/37/1187511437.db2.gz OJCOXJWRJXMKBW-JTQLQIEISA-N 1 1 382.348 0.236 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+](C)C1 ZINC000411760852 1187511522 /nfs/dbraw/zinc/51/15/22/1187511522.db2.gz UCDJSCCFOZZXQD-CYBMUJFWSA-N 1 1 392.412 0.713 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+](C)C1 ZINC000411760852 1187511525 /nfs/dbraw/zinc/51/15/25/1187511525.db2.gz UCDJSCCFOZZXQD-CYBMUJFWSA-N 1 1 392.412 0.713 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@H+](C)C1 ZINC000411762327 1187511607 /nfs/dbraw/zinc/51/16/07/1187511607.db2.gz XECLBJUNLWHHGK-ZDUSSCGKSA-N 1 1 392.412 0.713 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000411762327 1187511610 /nfs/dbraw/zinc/51/16/10/1187511610.db2.gz XECLBJUNLWHHGK-ZDUSSCGKSA-N 1 1 392.412 0.713 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411758840 1187511725 /nfs/dbraw/zinc/51/17/25/1187511725.db2.gz OJCOXJWRJXMKBW-SNVBAGLBSA-N 1 1 382.348 0.236 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411758840 1187511729 /nfs/dbraw/zinc/51/17/29/1187511729.db2.gz OJCOXJWRJXMKBW-SNVBAGLBSA-N 1 1 382.348 0.236 20 5 GCBDMO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000376109197 1187608879 /nfs/dbraw/zinc/60/88/79/1187608879.db2.gz DRICVFSYARUQFI-MRXNPFEDSA-N 1 1 392.456 0.805 20 5 GCBDMO CN1CCN(c2ncccc2C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581365612 1187713752 /nfs/dbraw/zinc/71/37/52/1187713752.db2.gz XUOOPAGZJNWNCH-MRXNPFEDSA-N 1 1 375.433 0.089 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262828 1187732734 /nfs/dbraw/zinc/73/27/34/1187732734.db2.gz BACDBJNOGXCUFF-HUUCEWRRSA-N 1 1 376.413 0.612 20 5 GCBDMO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000472601720 1187863456 /nfs/dbraw/zinc/86/34/56/1187863456.db2.gz SSKDHRMTRWASIS-SMDDNHRTSA-N 1 1 382.392 0.976 20 5 GCBDMO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000472601720 1187863460 /nfs/dbraw/zinc/86/34/60/1187863460.db2.gz SSKDHRMTRWASIS-SMDDNHRTSA-N 1 1 382.392 0.976 20 5 GCBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472609372 1187897100 /nfs/dbraw/zinc/89/71/00/1187897100.db2.gz HCDMWBVNLDILNG-LBPRGKRZSA-N 1 1 380.376 0.853 20 5 GCBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416314167 1189488163 /nfs/dbraw/zinc/48/81/63/1189488163.db2.gz SLWQIIJWGDUFLG-CHWSQXEVSA-N 1 1 379.413 0.822 20 5 GCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416314167 1189488168 /nfs/dbraw/zinc/48/81/68/1189488168.db2.gz SLWQIIJWGDUFLG-CHWSQXEVSA-N 1 1 379.413 0.822 20 5 GCBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000363905982 1189566247 /nfs/dbraw/zinc/56/62/47/1189566247.db2.gz GPNVKRXGONVGDS-OLZOCXBDSA-N 1 1 391.384 0.660 20 5 GCBDMO C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417125260 1189619682 /nfs/dbraw/zinc/61/96/82/1189619682.db2.gz BFUQEEJZDHLYOO-LBPRGKRZSA-N 1 1 397.457 0.285 20 5 GCBDMO Cc1c(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000584862831 1189695972 /nfs/dbraw/zinc/69/59/72/1189695972.db2.gz KKCKPCXQDHVJJL-HNNXBMFYSA-N 1 1 390.440 0.700 20 5 GCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC001648928205 1189917109 /nfs/dbraw/zinc/91/71/09/1189917109.db2.gz JLGYTURUWZWYGD-CZUORRHYSA-N 1 1 396.469 0.816 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000106765695 1189936420 /nfs/dbraw/zinc/93/64/20/1189936420.db2.gz ZXOJJBSSEGQHHY-INIZCTEOSA-N 1 1 375.429 0.947 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419350690 1193845238 /nfs/dbraw/zinc/84/52/38/1193845238.db2.gz WUXUIMPKJNBTPI-HIFRSBDPSA-N 1 1 381.385 0.088 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419350690 1193845241 /nfs/dbraw/zinc/84/52/41/1193845241.db2.gz WUXUIMPKJNBTPI-HIFRSBDPSA-N 1 1 381.385 0.088 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261810604 1193927242 /nfs/dbraw/zinc/92/72/42/1193927242.db2.gz WSFGETCLCBDNFG-SWLSCSKDSA-N 1 1 386.412 0.620 20 5 GCBDMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000513292396 1193933901 /nfs/dbraw/zinc/93/39/01/1193933901.db2.gz QTBRXWGNRRPNBJ-UHFFFAOYSA-N 1 1 394.432 0.009 20 5 GCBDMO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000513441060 1193952149 /nfs/dbraw/zinc/95/21/49/1193952149.db2.gz VNDNCVZUSNDVKJ-ZDUSSCGKSA-N 1 1 397.453 0.793 20 5 GCBDMO CS(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000513455216 1193952734 /nfs/dbraw/zinc/95/27/34/1193952734.db2.gz OXTKMPSMKTVSRE-LBPRGKRZSA-N 1 1 398.441 0.068 20 5 GCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513465160 1193953788 /nfs/dbraw/zinc/95/37/88/1193953788.db2.gz KZCOSWFZDCWSLM-UHFFFAOYSA-N 1 1 398.485 0.708 20 5 GCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420160817 1194191180 /nfs/dbraw/zinc/19/11/80/1194191180.db2.gz BNEJHYFMUASNKN-UHFFFAOYSA-N 1 1 386.355 0.675 20 5 GCBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000501642120 1194217625 /nfs/dbraw/zinc/21/76/25/1194217625.db2.gz DNPFPDPOLBFFNQ-UHFFFAOYSA-N 1 1 384.458 0.816 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+](C)C1 ZINC000413900549 1194357540 /nfs/dbraw/zinc/35/75/40/1194357540.db2.gz KYXPJXBTFGHSER-CYBMUJFWSA-N 1 1 393.396 0.472 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+](C)C1 ZINC000413900552 1194358015 /nfs/dbraw/zinc/35/80/15/1194358015.db2.gz KYXPJXBTFGHSER-ZDUSSCGKSA-N 1 1 393.396 0.472 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000413923593 1194362756 /nfs/dbraw/zinc/36/27/56/1194362756.db2.gz RJSONZHHKHJTKN-AWEZNQCLSA-N 1 1 392.412 0.196 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1=O ZINC000425320038 1194912777 /nfs/dbraw/zinc/91/27/77/1194912777.db2.gz QLZYABBVNAGHSP-AWEZNQCLSA-N 1 1 394.428 0.512 20 5 GCBDMO Cn1cc(CN2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000436104786 1194985179 /nfs/dbraw/zinc/98/51/79/1194985179.db2.gz CARQFGGANJBEBM-KRWDZBQOSA-N 1 1 375.429 0.886 20 5 GCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517953813 1195232265 /nfs/dbraw/zinc/23/22/65/1195232265.db2.gz VGJJNCMPOFQANL-CQSZACIVSA-N 1 1 384.458 0.864 20 5 GCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000438693117 1195239062 /nfs/dbraw/zinc/23/90/62/1195239062.db2.gz MJSIRBTVNUGTNB-UHFFFAOYSA-N 1 1 379.417 0.233 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1C1CC1 ZINC000426883273 1195488766 /nfs/dbraw/zinc/48/87/66/1195488766.db2.gz SBNKLRBIFYFJPO-AWEZNQCLSA-N 1 1 382.442 0.616 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000442062133 1195947858 /nfs/dbraw/zinc/94/78/58/1195947858.db2.gz VFJQSGUIKBSJDP-LBPRGKRZSA-N 1 1 394.428 0.846 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000442062133 1195947860 /nfs/dbraw/zinc/94/78/60/1195947860.db2.gz VFJQSGUIKBSJDP-LBPRGKRZSA-N 1 1 394.428 0.846 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000521506650 1195999306 /nfs/dbraw/zinc/99/93/06/1195999306.db2.gz IGJAKRTXOXLDAC-CQSZACIVSA-N 1 1 380.449 0.585 20 5 GCBDMO Cc1c(CC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000896236497 1196138053 /nfs/dbraw/zinc/13/80/53/1196138053.db2.gz OSSMXXGIMOILSD-UHFFFAOYSA-N 1 1 389.456 0.957 20 5 GCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000896242341 1196139041 /nfs/dbraw/zinc/13/90/41/1196139041.db2.gz QTQIJBWOQAMBBU-UHFFFAOYSA-N 1 1 391.428 0.485 20 5 GCBDMO C[N@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1(C)C ZINC000281852809 1196341256 /nfs/dbraw/zinc/34/12/56/1196341256.db2.gz UQOPBCODSMITBN-UHFFFAOYSA-N 1 1 398.485 0.754 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000522848557 1196352528 /nfs/dbraw/zinc/35/25/28/1196352528.db2.gz LRCLAHDFVNVIOY-OAHLLOKOSA-N 1 1 395.508 0.971 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000545687177 1196450665 /nfs/dbraw/zinc/45/06/65/1196450665.db2.gz YJGPBSHXKNGGFT-ZDUSSCGKSA-N 1 1 398.383 0.734 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1-c1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000545687177 1196450667 /nfs/dbraw/zinc/45/06/67/1196450667.db2.gz YJGPBSHXKNGGFT-ZDUSSCGKSA-N 1 1 398.383 0.734 20 5 GCBDMO CN(CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523121471 1196491312 /nfs/dbraw/zinc/49/13/12/1196491312.db2.gz ANCOUTWFJNLHKS-HOTGVXAUSA-N 1 1 396.469 0.958 20 5 GCBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCCCN1CCCC1=O ZINC000440492586 1196509053 /nfs/dbraw/zinc/50/90/53/1196509053.db2.gz VQDOAVMVBHQODR-AWEZNQCLSA-N 1 1 390.444 0.605 20 5 GCBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCCCN1CCCC1=O ZINC000440492586 1196509057 /nfs/dbraw/zinc/50/90/57/1196509057.db2.gz VQDOAVMVBHQODR-AWEZNQCLSA-N 1 1 390.444 0.605 20 5 GCBDMO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496111 1196509921 /nfs/dbraw/zinc/50/99/21/1196509921.db2.gz QVVTXZLAZHMLOQ-QWHCGFSZSA-N 1 1 376.417 0.200 20 5 GCBDMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496111 1196509923 /nfs/dbraw/zinc/50/99/23/1196509923.db2.gz QVVTXZLAZHMLOQ-QWHCGFSZSA-N 1 1 376.417 0.200 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000523988045 1196570860 /nfs/dbraw/zinc/57/08/60/1196570860.db2.gz OOOQWPSWADPORS-GFCCVEGCSA-N 1 1 397.457 0.409 20 5 GCBDMO COc1ccc(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000524419932 1196594201 /nfs/dbraw/zinc/59/42/01/1196594201.db2.gz HVJQFIBSQVSTMZ-CQSZACIVSA-N 1 1 378.429 0.850 20 5 GCBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000524696548 1196617322 /nfs/dbraw/zinc/61/73/22/1196617322.db2.gz RGRAFAVWIXGCDI-CYBMUJFWSA-N 1 1 396.444 0.604 20 5 GCBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000524696548 1196617324 /nfs/dbraw/zinc/61/73/24/1196617324.db2.gz RGRAFAVWIXGCDI-CYBMUJFWSA-N 1 1 396.444 0.604 20 5 GCBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524720832 1196619104 /nfs/dbraw/zinc/61/91/04/1196619104.db2.gz CTGCXVALSKLONO-ZDUSSCGKSA-N 1 1 384.458 0.721 20 5 GCBDMO CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000525523131 1196688121 /nfs/dbraw/zinc/68/81/21/1196688121.db2.gz RSIJQJVNVRSVNA-CQSZACIVSA-N 1 1 384.458 0.768 20 5 GCBDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194530 1196692272 /nfs/dbraw/zinc/69/22/72/1196692272.db2.gz ZCOUTBOSGBGVHJ-BXUZGUMPSA-N 1 1 383.430 0.493 20 5 GCBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000525800894 1196710520 /nfs/dbraw/zinc/71/05/20/1196710520.db2.gz ILEVPTIYAUGJFP-AWEZNQCLSA-N 1 1 379.413 0.824 20 5 GCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000525801392 1196710687 /nfs/dbraw/zinc/71/06/87/1196710687.db2.gz SGYGVSPCKDSWDW-CHWSQXEVSA-N 1 1 379.413 0.822 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000525801392 1196710691 /nfs/dbraw/zinc/71/06/91/1196710691.db2.gz SGYGVSPCKDSWDW-CHWSQXEVSA-N 1 1 379.413 0.822 20 5 GCBDMO COc1cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449526134 1196886001 /nfs/dbraw/zinc/88/60/01/1196886001.db2.gz ZCBPUVOSFRFCGW-AOOOYVTPSA-N 1 1 385.323 0.952 20 5 GCBDMO COc1cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449526134 1196886008 /nfs/dbraw/zinc/88/60/08/1196886008.db2.gz ZCBPUVOSFRFCGW-AOOOYVTPSA-N 1 1 385.323 0.952 20 5 GCBDMO NC(=O)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccccc21 ZINC000451710710 1197011471 /nfs/dbraw/zinc/01/14/71/1197011471.db2.gz LROKWSWMFNNNPN-GOEBONIOSA-N 1 1 389.412 0.853 20 5 GCBDMO COCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000520341253 1197109079 /nfs/dbraw/zinc/10/90/79/1197109079.db2.gz YZMAACQUFRUYEY-GFCCVEGCSA-N 1 1 384.458 0.955 20 5 GCBDMO COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000532241121 1197131312 /nfs/dbraw/zinc/13/13/12/1197131312.db2.gz FCKHBXLHGMHTEF-HNNXBMFYSA-N 1 1 390.440 0.911 20 5 GCBDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000428517713 1197170046 /nfs/dbraw/zinc/17/00/46/1197170046.db2.gz WDYHULDYBXRSKS-STQMWFEESA-N 1 1 380.401 0.317 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453926512 1197208067 /nfs/dbraw/zinc/20/80/67/1197208067.db2.gz DKGVAJABCKKCNY-TXEJJXNPSA-N 1 1 380.401 0.455 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453926512 1197208071 /nfs/dbraw/zinc/20/80/71/1197208071.db2.gz DKGVAJABCKKCNY-TXEJJXNPSA-N 1 1 380.401 0.455 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000547275400 1197233201 /nfs/dbraw/zinc/23/32/01/1197233201.db2.gz BBJINOMQYHIVDF-BZNIZROVSA-N 1 1 382.442 0.444 20 5 GCBDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000053837311 1197244947 /nfs/dbraw/zinc/24/49/47/1197244947.db2.gz NXOQHCOEVRJGOZ-UHFFFAOYSA-N 1 1 396.448 0.850 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895084 1197485070 /nfs/dbraw/zinc/48/50/70/1197485070.db2.gz OOMBCNSFKNHJLA-CYBMUJFWSA-N 1 1 382.465 0.742 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895084 1197485071 /nfs/dbraw/zinc/48/50/71/1197485071.db2.gz OOMBCNSFKNHJLA-CYBMUJFWSA-N 1 1 382.465 0.742 20 5 GCBDMO CC1(C)CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1CCO ZINC000614920796 1197487447 /nfs/dbraw/zinc/48/74/47/1197487447.db2.gz QYLBJHAILQPDGD-UHFFFAOYSA-N 1 1 380.401 0.651 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000121969022 1197529158 /nfs/dbraw/zinc/52/91/58/1197529158.db2.gz IVABXYJQVBIBQY-LSDHHAIUSA-N 1 1 391.472 0.713 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@H+]1C ZINC000554029387 1199039137 /nfs/dbraw/zinc/03/91/37/1199039137.db2.gz HLKKVZWNNYJKTL-STQMWFEESA-N 1 1 378.433 0.554 20 5 GCBDMO CCn1cc(S(=O)(=O)NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])n1 ZINC000554880430 1199104600 /nfs/dbraw/zinc/10/46/00/1199104600.db2.gz XXYCUJUGJBCAHI-UHFFFAOYSA-N 1 1 383.434 0.492 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000265804999 1199281446 /nfs/dbraw/zinc/28/14/46/1199281446.db2.gz YAOHEOXJYRTCRB-CYBMUJFWSA-N 1 1 386.412 0.795 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000265827840 1199515491 /nfs/dbraw/zinc/51/54/91/1199515491.db2.gz UBCGBGLUQKVSQI-CYBMUJFWSA-N 1 1 394.428 0.418 20 5 GCBDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cn2)CC1 ZINC000499977012 1199842452 /nfs/dbraw/zinc/84/24/52/1199842452.db2.gz YDKVBSHFWQYYKD-UHFFFAOYSA-N 1 1 387.400 0.400 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429042960 1199897357 /nfs/dbraw/zinc/89/73/57/1199897357.db2.gz DTFMKHMUPZLYKD-CQSZACIVSA-N 1 1 376.442 0.920 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429042960 1199897359 /nfs/dbraw/zinc/89/73/59/1199897359.db2.gz DTFMKHMUPZLYKD-CQSZACIVSA-N 1 1 376.442 0.920 20 5 GCBDMO C[NH+]1CCN(C(=O)Cc2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)CC1 ZINC000350228441 1199920115 /nfs/dbraw/zinc/92/01/15/1199920115.db2.gz JYNCPOJEANHINS-UHFFFAOYSA-N 1 1 389.368 0.733 20 5 GCBDMO NC(=O)c1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000028080942 1199921031 /nfs/dbraw/zinc/92/10/31/1199921031.db2.gz VSXONLNCMKOTRK-UHFFFAOYSA-N 1 1 389.456 0.824 20 5 GCBDMO NC(=O)c1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000028080942 1199921035 /nfs/dbraw/zinc/92/10/35/1199921035.db2.gz VSXONLNCMKOTRK-UHFFFAOYSA-N 1 1 389.456 0.824 20 5 GCBDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000056197293 1199931757 /nfs/dbraw/zinc/93/17/57/1199931757.db2.gz NAHSIUQWSWLGHM-VHSXEESVSA-N 1 1 375.385 0.496 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282458575 1199961146 /nfs/dbraw/zinc/96/11/46/1199961146.db2.gz OIWNSMLKUCNGCO-UHFFFAOYSA-N 1 1 377.445 0.989 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245923335 1200382999 /nfs/dbraw/zinc/38/29/99/1200382999.db2.gz SZRZKCOAYMAFDL-DLBZAZTESA-N 1 1 386.408 0.508 20 5 GCBDMO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174719619 1200402907 /nfs/dbraw/zinc/40/29/07/1200402907.db2.gz LFPGMNBWZADCKF-NVXWUHKLSA-N 1 1 394.476 0.171 20 5 GCBDMO 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O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCC2(CC1)OCCO2 ZINC000744408061 1201841773 /nfs/dbraw/zinc/84/17/73/1201841773.db2.gz UYDQQNVYIDTQQU-AWEZNQCLSA-N 1 1 391.428 0.842 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746466859 1201926138 /nfs/dbraw/zinc/92/61/38/1201926138.db2.gz IJSNSNGIRQFCFJ-HHHXNRCGSA-N 1 1 398.485 0.928 20 5 GCBDMO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169028468 1201930237 /nfs/dbraw/zinc/93/02/37/1201930237.db2.gz SDYSQFIMCVOEKX-GDBMZVCRSA-N 1 1 376.457 0.783 20 5 GCBDMO O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21)c1cnccn1 ZINC001169030389 1201930537 /nfs/dbraw/zinc/93/05/37/1201930537.db2.gz ZFQWCHTVXGJQRJ-RIUYPTKQSA-N 1 1 389.456 0.989 20 5 GCBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001169030356 1201930651 /nfs/dbraw/zinc/93/06/51/1201930651.db2.gz YZJZKKTWLOIYHK-NUJGCVRESA-N 1 1 377.445 0.830 20 5 GCBDMO 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392.460 0.666 20 5 GCBDMO O=C(NCc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2)C1CC1 ZINC001169023002 1201931677 /nfs/dbraw/zinc/93/16/77/1201931677.db2.gz OCHJCPZMGFEANX-BBRMVZONSA-N 1 1 389.456 0.921 20 5 GCBDMO CNc1ccc(S(=O)(=O)NCC(=O)OCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000771854541 1202167347 /nfs/dbraw/zinc/16/73/47/1202167347.db2.gz POYYVMXLJZVJQP-UHFFFAOYSA-N 1 1 397.413 0.663 20 5 GCBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001171662402 1205708683 /nfs/dbraw/zinc/70/86/83/1205708683.db2.gz XYXDRDDOZWUEMD-INIZCTEOSA-N 1 1 385.442 0.414 20 5 GCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172905950 1205717710 /nfs/dbraw/zinc/71/77/10/1205717710.db2.gz FGDSDDPZMPOTJO-UHOSZYNNSA-N 1 1 388.468 0.973 20 5 GCBDMO CN1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC[N@@H+](C)CC1 ZINC001178974664 1205796788 /nfs/dbraw/zinc/79/67/88/1205796788.db2.gz VKCBRCJPJFPPNP-UHFFFAOYSA-N 1 1 387.444 0.554 20 5 GCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001181440784 1205844839 /nfs/dbraw/zinc/84/48/39/1205844839.db2.gz DOLGJQHYDCXYHC-NUEKZKHPSA-N 1 1 375.429 0.850 20 5 GCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)CC2 ZINC001164684604 719718847 /nfs/dbraw/zinc/71/88/47/719718847.db2.gz ILASHLWCRRZUNC-UHFFFAOYSA-N 1 1 394.432 0.583 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164720267 720225497 /nfs/dbraw/zinc/22/54/97/720225497.db2.gz XWBSYMOWBQGDEM-GOSISDBHSA-N 1 1 393.444 0.663 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(OC)n3)C2)C1 ZINC001164720267 720225506 /nfs/dbraw/zinc/22/55/06/720225506.db2.gz XWBSYMOWBQGDEM-GOSISDBHSA-N 1 1 393.444 0.663 20 5 GCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738133 720697730 /nfs/dbraw/zinc/69/77/30/720697730.db2.gz ILLFSYLOYDYGOP-QWHCGFSZSA-N 1 1 387.400 0.834 20 5 GCBDMO Cn1cc(CN2CC[C@H]3CN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C[C@@H]3C2)cn1 ZINC001164761944 721248942 /nfs/dbraw/zinc/24/89/42/721248942.db2.gz KRMSSKPTKQFGEO-HOCLYGCPSA-N 1 1 398.471 0.763 20 5 GCBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164868554 721271404 /nfs/dbraw/zinc/27/14/04/721271404.db2.gz BTULYYKNXMQUFG-UHFFFAOYSA-N 1 1 392.460 0.700 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000042744174 530122182 /nfs/dbraw/zinc/12/21/82/530122182.db2.gz OXJHVSCDWKBYFI-UHFFFAOYSA-N 1 1 390.849 0.691 20 5 GCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000184338494 530499232 /nfs/dbraw/zinc/49/92/32/530499232.db2.gz TZOONYMJUMNGRV-UHFFFAOYSA-N 1 1 396.263 0.950 20 5 GCBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000554952673 530846200 /nfs/dbraw/zinc/84/62/00/530846200.db2.gz WJCUNQLMSHNKTR-SECBINFHSA-N 1 1 376.207 0.971 20 5 GCBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 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HDFOZCRHTAJWPN-ZDUSSCGKSA-N 1 1 386.455 0.090 20 5 GCBDMO COc1cc(C[NH2+]CCNS(C)(=O)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272433830 530995097 /nfs/dbraw/zinc/99/50/97/530995097.db2.gz NPFMJRUNPNGBDF-UHFFFAOYSA-N 1 1 383.373 0.886 20 5 GCBDMO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825406354 607587089 /nfs/dbraw/zinc/58/70/89/607587089.db2.gz LMCLXPXSLQWTDW-SNVBAGLBSA-N 1 1 383.434 0.784 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000826499992 607613982 /nfs/dbraw/zinc/61/39/82/607613982.db2.gz HLHUGAGMIDWJLG-JTQLQIEISA-N 1 1 379.402 0.244 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1-c1nn[nH]n1 ZINC000826499992 607613984 /nfs/dbraw/zinc/61/39/84/607613984.db2.gz HLHUGAGMIDWJLG-JTQLQIEISA-N 1 1 379.402 0.244 20 5 GCBDMO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824978647 607653657 /nfs/dbraw/zinc/65/36/57/607653657.db2.gz WYFIFWOYWFWNSO-GHMZBOCLSA-N 1 1 395.445 0.782 20 5 GCBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824978647 607653659 /nfs/dbraw/zinc/65/36/59/607653659.db2.gz WYFIFWOYWFWNSO-GHMZBOCLSA-N 1 1 395.445 0.782 20 5 GCBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000821628314 606727335 /nfs/dbraw/zinc/72/73/35/606727335.db2.gz FXRLWRRRCSMRLI-HUUCEWRRSA-N 1 1 382.384 0.842 20 5 GCBDMO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000825859954 608342881 /nfs/dbraw/zinc/34/28/81/608342881.db2.gz IYHLVJREKROLCR-UHFFFAOYSA-N 1 1 395.445 0.737 20 5 GCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Cl ZINC000761524350 640594808 /nfs/dbraw/zinc/59/48/08/640594808.db2.gz BLVKDDZJJZZHDR-UKRRQHHQSA-N 1 1 389.861 0.836 20 5 GCBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cs1 ZINC000768881211 640763756 /nfs/dbraw/zinc/76/37/56/640763756.db2.gz LUKCQUKADCBHRD-UHFFFAOYSA-N 1 1 391.471 0.504 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000049695699 1192223757 /nfs/dbraw/zinc/22/37/57/1192223757.db2.gz NXWSORUPZGCKFU-UHFFFAOYSA-N 1 1 386.412 0.721 20 5 GCBDMO C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000265044240 1192352311 /nfs/dbraw/zinc/35/23/11/1192352311.db2.gz AGXQHLBXULODAE-HNNXBMFYSA-N 1 1 391.472 0.714 20 5 GCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278913627 1192356601 /nfs/dbraw/zinc/35/66/01/1192356601.db2.gz QSKCGWOINKLEBX-LSDHHAIUSA-N 1 1 399.469 0.834 20 5 GCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278913627 1192356606 /nfs/dbraw/zinc/35/66/06/1192356606.db2.gz QSKCGWOINKLEBX-LSDHHAIUSA-N 1 1 399.469 0.834 20 5 GCBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000585725612 1192398881 /nfs/dbraw/zinc/39/88/81/1192398881.db2.gz YSEMJUVPZVLILR-DZGCQCFKSA-N 1 1 390.444 0.698 20 5 GCBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000585725633 1192398955 /nfs/dbraw/zinc/39/89/55/1192398955.db2.gz ZFPFEXNALANLAU-NWDGAFQWSA-N 1 1 386.412 0.830 20 5 GCBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000585725613 1192399343 /nfs/dbraw/zinc/39/93/43/1192399343.db2.gz YSEMJUVPZVLILR-HIFRSBDPSA-N 1 1 390.444 0.698 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279101876 1192466657 /nfs/dbraw/zinc/46/66/57/1192466657.db2.gz QZRQFLYGGUVZPB-QGZVFWFLSA-N 1 1 391.384 0.606 20 5 GCBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)C[C@H]2C1 ZINC000279309218 1192514938 /nfs/dbraw/zinc/51/49/38/1192514938.db2.gz NBNBVOCRFBLHJV-TXEJJXNPSA-N 1 1 390.396 0.715 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000500696870 1192711146 /nfs/dbraw/zinc/71/11/46/1192711146.db2.gz SXWHYVCQLODLQQ-HNNXBMFYSA-N 1 1 398.485 0.644 20 5 GCBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000893939970 1192880545 /nfs/dbraw/zinc/88/05/45/1192880545.db2.gz LHCFZRRTINPVDZ-GUYCJALGSA-N 1 1 396.469 0.756 20 5 GCBDMO CCc1ccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000573487839 1192905142 /nfs/dbraw/zinc/90/51/42/1192905142.db2.gz HKVBLKHHKRDDTM-AWEZNQCLSA-N 1 1 396.469 0.742 20 5 GCBDMO COCC[N@@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000265266638 1192923936 /nfs/dbraw/zinc/92/39/36/1192923936.db2.gz FSAXAYYMGDCYQX-UONOGXRCSA-N 1 1 378.429 0.892 20 5 GCBDMO COCC[N@H+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000265266638 1192923940 /nfs/dbraw/zinc/92/39/40/1192923940.db2.gz FSAXAYYMGDCYQX-UONOGXRCSA-N 1 1 378.429 0.892 20 5 GCBDMO CC[N@@H+](CCO)CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000274598713 1184114087 /nfs/dbraw/zinc/11/40/87/1184114087.db2.gz WNJJLUOMMQALGY-UHFFFAOYSA-N 1 1 380.401 0.713 20 5 GCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000577780620 1184192103 /nfs/dbraw/zinc/19/21/03/1184192103.db2.gz JJQGXGWIPREMOU-UHFFFAOYSA-N 1 1 386.412 0.674 20 5 GCBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000275005142 1184456251 /nfs/dbraw/zinc/45/62/51/1184456251.db2.gz OOZADYBWPRRMRV-GFCCVEGCSA-N 1 1 390.396 0.402 20 5 GCBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000275039479 1184469957 /nfs/dbraw/zinc/46/99/57/1184469957.db2.gz XUPOFDJKSLLAPL-LBPRGKRZSA-N 1 1 377.357 0.539 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000275212685 1184553340 /nfs/dbraw/zinc/55/33/40/1184553340.db2.gz JLLHUQCTEJJONR-HZSPNIEDSA-N 1 1 378.429 0.627 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000275212685 1184553345 /nfs/dbraw/zinc/55/33/45/1184553345.db2.gz JLLHUQCTEJJONR-HZSPNIEDSA-N 1 1 378.429 0.627 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275458354 1184675492 /nfs/dbraw/zinc/67/54/92/1184675492.db2.gz PDIBOKMZCWRDNJ-CQSZACIVSA-N 1 1 392.456 0.937 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275529058 1184700309 /nfs/dbraw/zinc/70/03/09/1184700309.db2.gz XTDWJVOGWCRNAV-UHFFFAOYSA-N 1 1 380.401 0.632 20 5 GCBDMO COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578928981 1184869748 /nfs/dbraw/zinc/86/97/48/1184869748.db2.gz QCICTAUOYILQOQ-UHFFFAOYSA-N 1 1 378.429 0.564 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC001670428750 1184905844 /nfs/dbraw/zinc/90/58/44/1184905844.db2.gz ICEFHOGRXILLQW-OUENDJJVSA-N 1 1 378.429 0.914 20 5 GCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261722355 1185245321 /nfs/dbraw/zinc/24/53/21/1185245321.db2.gz LSAFMMLYCGKBHK-AWEZNQCLSA-N 1 1 387.396 0.815 20 5 GCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261741564 1185249053 /nfs/dbraw/zinc/24/90/53/1185249053.db2.gz NXCLQJMPSIBSGQ-HNNXBMFYSA-N 1 1 386.412 0.621 20 5 GCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000548104435 1185255217 /nfs/dbraw/zinc/25/52/17/1185255217.db2.gz OFOXMFQTISQAIR-CYBMUJFWSA-N 1 1 392.412 0.420 20 5 GCBDMO COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000548104435 1185255222 /nfs/dbraw/zinc/25/52/22/1185255222.db2.gz OFOXMFQTISQAIR-CYBMUJFWSA-N 1 1 392.412 0.420 20 5 GCBDMO Cc1c(C(=O)NCC[N@@H+]2CCCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000275914719 1185272521 /nfs/dbraw/zinc/27/25/21/1185272521.db2.gz UHMIFTNZERAZCS-UHFFFAOYSA-N 1 1 386.430 0.003 20 5 GCBDMO Cc1c(C(=O)NCC[N@H+]2CCCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000275914719 1185272526 /nfs/dbraw/zinc/27/25/26/1185272526.db2.gz UHMIFTNZERAZCS-UHFFFAOYSA-N 1 1 386.430 0.003 20 5 GCBDMO Cc1c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000580977846 1185461462 /nfs/dbraw/zinc/46/14/62/1185461462.db2.gz RKGMBFFEDFSUQB-UHFFFAOYSA-N 1 1 394.413 0.236 20 5 GCBDMO Cc1c(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000581152531 1185515670 /nfs/dbraw/zinc/51/56/70/1185515670.db2.gz ZBQPOKUUEPSEKD-UHFFFAOYSA-N 1 1 390.440 0.843 20 5 GCBDMO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000477068837 1185600289 /nfs/dbraw/zinc/60/02/89/1185600289.db2.gz PUUJKDXHZQDVQG-CYBMUJFWSA-N 1 1 387.462 0.432 20 5 GCBDMO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000477068837 1185600293 /nfs/dbraw/zinc/60/02/93/1185600293.db2.gz PUUJKDXHZQDVQG-CYBMUJFWSA-N 1 1 387.462 0.432 20 5 GCBDMO CC(=O)NC1CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000050992862 1185692215 /nfs/dbraw/zinc/69/22/15/1185692215.db2.gz QUTTXYYAPDPTRY-UHFFFAOYSA-N 1 1 389.456 0.844 20 5 GCBDMO C[C@H]1C[N@H+](CCN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000276254516 1185711701 /nfs/dbraw/zinc/71/17/01/1185711701.db2.gz AAANKKRYXQTLBO-HNNXBMFYSA-N 1 1 398.485 0.622 20 5 GCBDMO C[C@H]1C[N@@H+](CCN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000276254516 1185711706 /nfs/dbraw/zinc/71/17/06/1185711706.db2.gz AAANKKRYXQTLBO-HNNXBMFYSA-N 1 1 398.485 0.622 20 5 GCBDMO CO[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1OC ZINC000276796929 1186068529 /nfs/dbraw/zinc/06/85/29/1186068529.db2.gz CEPPMSGFCYCDLB-CALCHBBNSA-N 1 1 378.429 0.589 20 5 GCBDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1OC ZINC000276796929 1186068536 /nfs/dbraw/zinc/06/85/36/1186068536.db2.gz CEPPMSGFCYCDLB-CALCHBBNSA-N 1 1 378.429 0.589 20 5 GCBDMO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000276802927 1186073349 /nfs/dbraw/zinc/07/33/49/1186073349.db2.gz CTNOMABPZXJJHO-UHFFFAOYSA-N 1 1 378.385 0.792 20 5 GCBDMO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000276906003 1186142927 /nfs/dbraw/zinc/14/29/27/1186142927.db2.gz MNGFJLXYYJTBRK-UHFFFAOYSA-N 1 1 384.458 0.654 20 5 GCBDMO CCOc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000276986015 1186216609 /nfs/dbraw/zinc/21/66/09/1186216609.db2.gz ZDRULXJMBRUICT-ZBFHGGJFSA-N 1 1 399.469 0.581 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610900823 1186254241 /nfs/dbraw/zinc/25/42/41/1186254241.db2.gz MGQRSUOTOVICCJ-WFASDCNBSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900823 1186254248 /nfs/dbraw/zinc/25/42/48/1186254248.db2.gz MGQRSUOTOVICCJ-WFASDCNBSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000610899652 1186256293 /nfs/dbraw/zinc/25/62/93/1186256293.db2.gz AOWPOPNLUQCXDM-DZGCQCFKSA-N 1 1 378.433 0.541 20 5 GCBDMO C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899652 1186256296 /nfs/dbraw/zinc/25/62/96/1186256296.db2.gz AOWPOPNLUQCXDM-DZGCQCFKSA-N 1 1 378.433 0.541 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000610912373 1186258711 /nfs/dbraw/zinc/25/87/11/1186258711.db2.gz AZVROCAFJMKFID-ZWNOBZJWSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000610912373 1186258719 /nfs/dbraw/zinc/25/87/19/1186258719.db2.gz AZVROCAFJMKFID-ZWNOBZJWSA-N 1 1 376.369 0.026 20 5 GCBDMO COCC[N@@H+](C)CCCNc1ccc(C(=O)NCC(=O)OC)cc1[N+](=O)[O-] ZINC000277191275 1186290003 /nfs/dbraw/zinc/29/00/03/1186290003.db2.gz WQBXZYOCDSPUBN-UHFFFAOYSA-N 1 1 382.417 0.878 20 5 GCBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000262478321 1186300653 /nfs/dbraw/zinc/30/06/53/1186300653.db2.gz CYYKDDSHJQGTID-AWEZNQCLSA-N 1 1 396.469 0.797 20 5 GCBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262486093 1186301208 /nfs/dbraw/zinc/30/12/08/1186301208.db2.gz FLGVVJQOQQVRCV-CQSZACIVSA-N 1 1 376.413 0.787 20 5 GCBDMO COc1cc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000262499408 1186301449 /nfs/dbraw/zinc/30/14/49/1186301449.db2.gz HWMMEWWXWJLVDX-LBPRGKRZSA-N 1 1 398.441 0.188 20 5 GCBDMO COc1cc(OCC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000262488537 1186301592 /nfs/dbraw/zinc/30/15/92/1186301592.db2.gz FUNLUXIOIOFRND-ZDUSSCGKSA-N 1 1 392.412 0.405 20 5 GCBDMO COc1ccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000262512003 1186303455 /nfs/dbraw/zinc/30/34/55/1186303455.db2.gz KJNNIZRMQCNHGA-LBPRGKRZSA-N 1 1 398.441 0.188 20 5 GCBDMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262545921 1186305283 /nfs/dbraw/zinc/30/52/83/1186305283.db2.gz SQYWSGNDNALVTD-OAHLLOKOSA-N 1 1 399.411 0.212 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000277385322 1186358074 /nfs/dbraw/zinc/35/80/74/1186358074.db2.gz FNJJSDQPUYTVDR-HNNXBMFYSA-N 1 1 376.413 0.982 20 5 GCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000511100816 1186499885 /nfs/dbraw/zinc/49/98/85/1186499885.db2.gz XKIAPJSQZFFKAE-CQSZACIVSA-N 1 1 393.444 0.621 20 5 GCBDMO CN(C)c1[nH+]cc(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1C ZINC000511212446 1186724618 /nfs/dbraw/zinc/72/46/18/1186724618.db2.gz CFMSGSALHWEWIM-UHFFFAOYSA-N 1 1 389.416 0.510 20 5 GCBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268273 1186863223 /nfs/dbraw/zinc/86/32/23/1186863223.db2.gz IVMWNBFGZGJFCA-OWCLPIDISA-N 1 1 384.429 0.680 20 5 GCBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268271 1186863513 /nfs/dbraw/zinc/86/35/13/1186863513.db2.gz IVMWNBFGZGJFCA-HRCADAONSA-N 1 1 384.429 0.680 20 5 GCBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(N4CCOC4=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000278455354 1186950467 /nfs/dbraw/zinc/95/04/67/1186950467.db2.gz WYTUNLPOWMGOGN-TXEJJXNPSA-N 1 1 396.425 0.734 20 5 GCBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000431556210 1187090813 /nfs/dbraw/zinc/09/08/13/1187090813.db2.gz BOBYJKOWHJXTTJ-UHFFFAOYSA-N 1 1 390.396 0.700 20 5 GCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188262792 1187271152 /nfs/dbraw/zinc/27/11/52/1187271152.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 1 1 389.456 0.721 20 5 GCBDMO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188262792 1187271157 /nfs/dbraw/zinc/27/11/57/1187271157.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 1 1 389.456 0.721 20 5 GCBDMO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188262792 1187271164 /nfs/dbraw/zinc/27/11/64/1187271164.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 1 1 389.456 0.721 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+](C)C1 ZINC000411760856 1187511357 /nfs/dbraw/zinc/51/13/57/1187511357.db2.gz UCDJSCCFOZZXQD-ZDUSSCGKSA-N 1 1 392.412 0.713 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+](C)C1 ZINC000411760856 1187511362 /nfs/dbraw/zinc/51/13/62/1187511362.db2.gz UCDJSCCFOZZXQD-ZDUSSCGKSA-N 1 1 392.412 0.713 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000411757673 1187511391 /nfs/dbraw/zinc/51/13/91/1187511391.db2.gz MAMFXAGENNCJGN-NSHDSACASA-N 1 1 394.384 0.105 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411757673 1187511393 /nfs/dbraw/zinc/51/13/93/1187511393.db2.gz MAMFXAGENNCJGN-NSHDSACASA-N 1 1 394.384 0.105 20 5 GCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000365339270 1187515785 /nfs/dbraw/zinc/51/57/85/1187515785.db2.gz KMMMPYYWEVOGFI-MRXNPFEDSA-N 1 1 375.429 0.772 20 5 GCBDMO COC(=O)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[N@@H+](C)C1 ZINC000411905906 1187531845 /nfs/dbraw/zinc/53/18/45/1187531845.db2.gz BUMVSDQHMYAPDS-LBPRGKRZSA-N 1 1 380.401 0.579 20 5 GCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000180625001 1187856618 /nfs/dbraw/zinc/85/66/18/1187856618.db2.gz PIOWFMVNYPKDDA-UHFFFAOYSA-N 1 1 385.428 0.909 20 5 GCBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000472618377 1187916284 /nfs/dbraw/zinc/91/62/84/1187916284.db2.gz BZEPBDNVAPFTTF-UHFFFAOYSA-N 1 1 380.376 0.996 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000378282753 1189461609 /nfs/dbraw/zinc/46/16/09/1189461609.db2.gz BFYUHAQMDOMQLA-AWEZNQCLSA-N 1 1 392.412 0.409 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347059 1189465641 /nfs/dbraw/zinc/46/56/41/1189465641.db2.gz HXGKQPOCKOXXOY-OAHLLOKOSA-N 1 1 378.429 0.596 20 5 GCBDMO Cc1cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416366125 1189499186 /nfs/dbraw/zinc/49/91/86/1189499186.db2.gz BWGGTYYJHJVFEP-UHFFFAOYSA-N 1 1 384.458 0.654 20 5 GCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378445944 1189510362 /nfs/dbraw/zinc/51/03/62/1189510362.db2.gz WZLBSEKOPBJUCR-UHFFFAOYSA-N 1 1 399.469 0.751 20 5 GCBDMO COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000363905987 1189566364 /nfs/dbraw/zinc/56/63/64/1189566364.db2.gz GPNVKRXGONVGDS-STQMWFEESA-N 1 1 391.384 0.660 20 5 GCBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500328177 1189776870 /nfs/dbraw/zinc/77/68/70/1189776870.db2.gz XJCLEPVYWHFWJI-LBPRGKRZSA-N 1 1 385.446 0.429 20 5 GCBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500328175 1189777308 /nfs/dbraw/zinc/77/73/08/1189777308.db2.gz XJCLEPVYWHFWJI-GFCCVEGCSA-N 1 1 385.446 0.429 20 5 GCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000364422385 1189798377 /nfs/dbraw/zinc/79/83/77/1189798377.db2.gz SYIKWXNUIUIVEC-ZDUSSCGKSA-N 1 1 382.442 0.488 20 5 GCBDMO CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888992263 1189812016 /nfs/dbraw/zinc/81/20/16/1189812016.db2.gz DEIZQDYKRBZNHX-UHFFFAOYSA-N 1 1 397.863 0.684 20 5 GCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419349702 1193844950 /nfs/dbraw/zinc/84/49/50/1193844950.db2.gz DQMWFISNPCPZFP-CQSZACIVSA-N 1 1 378.385 0.677 20 5 GCBDMO CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000433464673 1193864931 /nfs/dbraw/zinc/86/49/31/1193864931.db2.gz XUQYJISHVSHMJU-GOSISDBHSA-N 1 1 380.493 0.643 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419362026 1193865401 /nfs/dbraw/zinc/86/54/01/1193865401.db2.gz UDXGWZGWWWLGBZ-AWEZNQCLSA-N 1 1 378.385 0.677 20 5 GCBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000067290996 1193915555 /nfs/dbraw/zinc/91/55/55/1193915555.db2.gz YBLPGCMBGGYYBI-UHFFFAOYSA-N 1 1 380.449 0.584 20 5 GCBDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000067290996 1193915557 /nfs/dbraw/zinc/91/55/57/1193915557.db2.gz YBLPGCMBGGYYBI-UHFFFAOYSA-N 1 1 380.449 0.584 20 5 GCBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513627378 1193968236 /nfs/dbraw/zinc/96/82/36/1193968236.db2.gz QNKTXQDLVWIHTM-UHFFFAOYSA-N 1 1 399.469 0.917 20 5 GCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280707767 1194015549 /nfs/dbraw/zinc/01/55/49/1194015549.db2.gz FXXVODRMZKRJOD-ZDUSSCGKSA-N 1 1 384.458 0.673 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413157258 1194085967 /nfs/dbraw/zinc/08/59/67/1194085967.db2.gz PUHQGBBCDPOXCZ-CYBMUJFWSA-N 1 1 380.401 0.850 20 5 GCBDMO CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420261927 1194218601 /nfs/dbraw/zinc/21/86/01/1194218601.db2.gz QHDVSDWEPPAYBC-UONOGXRCSA-N 1 1 397.501 0.480 20 5 GCBDMO C[C@H]1C[N@H+](CCN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970367 1194279186 /nfs/dbraw/zinc/27/91/86/1194279186.db2.gz FLQXPGRYRWBEOH-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@H]1C[N@@H+](CCN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970367 1194279190 /nfs/dbraw/zinc/27/91/90/1194279190.db2.gz FLQXPGRYRWBEOH-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@H]1CN(CC[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970367 1194279192 /nfs/dbraw/zinc/27/91/92/1194279192.db2.gz FLQXPGRYRWBEOH-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@H]1CN(CC[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970367 1194279193 /nfs/dbraw/zinc/27/91/93/1194279193.db2.gz FLQXPGRYRWBEOH-AWEZNQCLSA-N 1 1 386.474 0.526 20 5 GCBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000420979074 1194280595 /nfs/dbraw/zinc/28/05/95/1194280595.db2.gz YRWMPLJLOMWNBQ-OAHLLOKOSA-N 1 1 386.474 0.260 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413893801 1194357011 /nfs/dbraw/zinc/35/70/11/1194357011.db2.gz BMAAAILVPHCTBU-CHWSQXEVSA-N 1 1 396.448 0.390 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413914228 1194359561 /nfs/dbraw/zinc/35/95/61/1194359561.db2.gz GGFFCSBLZAXZDF-ZDUSSCGKSA-N 1 1 388.384 0.352 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413914228 1194359565 /nfs/dbraw/zinc/35/95/65/1194359565.db2.gz GGFFCSBLZAXZDF-ZDUSSCGKSA-N 1 1 388.384 0.352 20 5 GCBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc([N+](=O)[O-])c1 ZINC000413917657 1194360269 /nfs/dbraw/zinc/36/02/69/1194360269.db2.gz KHQFDOYBURNUSG-AWEZNQCLSA-N 1 1 393.396 0.948 20 5 GCBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc([N+](=O)[O-])c1 ZINC000413917657 1194360273 /nfs/dbraw/zinc/36/02/73/1194360273.db2.gz KHQFDOYBURNUSG-AWEZNQCLSA-N 1 1 393.396 0.948 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+](C)C1 ZINC000413924486 1194362990 /nfs/dbraw/zinc/36/29/90/1194362990.db2.gz SNHORLYYXQKMDK-ZDUSSCGKSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+](C)C1 ZINC000413924486 1194362994 /nfs/dbraw/zinc/36/29/94/1194362994.db2.gz SNHORLYYXQKMDK-ZDUSSCGKSA-N 1 1 387.396 0.957 20 5 GCBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421971333 1194376072 /nfs/dbraw/zinc/37/60/72/1194376072.db2.gz APJSXLUVMIVPIH-SWLSCSKDSA-N 1 1 384.458 0.529 20 5 GCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422017436 1194379024 /nfs/dbraw/zinc/37/90/24/1194379024.db2.gz HUPJNOMHLIWLAX-AWEZNQCLSA-N 1 1 384.458 0.816 20 5 GCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422124633 1194390464 /nfs/dbraw/zinc/39/04/64/1194390464.db2.gz ZGBOWEJAHYNLKV-AWEZNQCLSA-N 1 1 390.444 0.191 20 5 GCBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000503188086 1194404172 /nfs/dbraw/zinc/40/41/72/1194404172.db2.gz GKUWPQPSVKXXBH-HNNXBMFYSA-N 1 1 384.458 0.864 20 5 GCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272065487 1194433723 /nfs/dbraw/zinc/43/37/23/1194433723.db2.gz XMJJHAXLGBAGGF-CQSZACIVSA-N 1 1 377.445 0.407 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422225360 1194591206 /nfs/dbraw/zinc/59/12/06/1194591206.db2.gz GTBYVUUYXCUKAU-CYBMUJFWSA-N 1 1 399.473 0.609 20 5 GCBDMO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[N@@H+](C)C1CC1 ZINC000422305162 1194611027 /nfs/dbraw/zinc/61/10/27/1194611027.db2.gz JPAVNLYIYVFTIV-ZDUSSCGKSA-N 1 1 390.444 0.237 20 5 GCBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000422337030 1194619716 /nfs/dbraw/zinc/61/97/16/1194619716.db2.gz ICLLOZROCKPDSP-GFCCVEGCSA-N 1 1 388.428 0.935 20 5 GCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425047866 1194836668 /nfs/dbraw/zinc/83/66/68/1194836668.db2.gz AAUGZHJKPZVQSC-GOEBONIOSA-N 1 1 375.429 0.947 20 5 GCBDMO NC(=O)c1ccc(C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000434725853 1194864457 /nfs/dbraw/zinc/86/44/57/1194864457.db2.gz JRDAQUVPKKPJMW-MRXNPFEDSA-N 1 1 376.413 0.545 20 5 GCBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975709 1194880875 /nfs/dbraw/zinc/88/08/75/1194880875.db2.gz FVDUXUFPNPBSRV-KBPBESRZSA-N 1 1 396.444 0.555 20 5 GCBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975709 1194880877 /nfs/dbraw/zinc/88/08/77/1194880877.db2.gz FVDUXUFPNPBSRV-KBPBESRZSA-N 1 1 396.444 0.555 20 5 GCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000515283712 1194964203 /nfs/dbraw/zinc/96/42/03/1194964203.db2.gz IYUROUUBAOTWLL-CYBMUJFWSA-N 1 1 390.396 0.702 20 5 GCBDMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000518914709 1195346840 /nfs/dbraw/zinc/34/68/40/1195346840.db2.gz DDQRDLURYJKSTP-QGZVFWFLSA-N 1 1 390.440 0.924 20 5 GCBDMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496107 1195513566 /nfs/dbraw/zinc/51/35/66/1195513566.db2.gz QVVTXZLAZHMLOQ-CHWSQXEVSA-N 1 1 376.417 0.200 20 5 GCBDMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496107 1195513569 /nfs/dbraw/zinc/51/35/69/1195513569.db2.gz QVVTXZLAZHMLOQ-CHWSQXEVSA-N 1 1 376.417 0.200 20 5 GCBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266793870 1195649398 /nfs/dbraw/zinc/64/93/98/1195649398.db2.gz WTGNDMRKGLFEOZ-UONOGXRCSA-N 1 1 382.442 0.907 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCN2CCN(Cc3ccccc3)CC2)c1 ZINC000520492226 1195766890 /nfs/dbraw/zinc/76/68/90/1195766890.db2.gz QIRLPFQXRHHVKM-IBGZPJMESA-N 1 1 388.472 0.560 20 5 GCBDMO COc1ccc(NC(=O)CC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000536475401 1195835311 /nfs/dbraw/zinc/83/53/11/1195835311.db2.gz KOHOATTZUBAMCH-ZDUSSCGKSA-N 1 1 377.357 0.168 20 5 GCBDMO COc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000536475401 1195835315 /nfs/dbraw/zinc/83/53/15/1195835315.db2.gz KOHOATTZUBAMCH-ZDUSSCGKSA-N 1 1 377.357 0.168 20 5 GCBDMO C[N@H+]1CCC[C@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000520825052 1195924238 /nfs/dbraw/zinc/92/42/38/1195924238.db2.gz TXAIUFCNNDZPQU-CYBMUJFWSA-N 1 1 384.458 0.721 20 5 GCBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000520971465 1195945742 /nfs/dbraw/zinc/94/57/42/1195945742.db2.gz JDCJIYYNGVWUDL-NSHDSACASA-N 1 1 385.446 0.207 20 5 GCBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000520971465 1195945745 /nfs/dbraw/zinc/94/57/45/1195945745.db2.gz JDCJIYYNGVWUDL-NSHDSACASA-N 1 1 385.446 0.207 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025229706 1196067179 /nfs/dbraw/zinc/06/71/79/1196067179.db2.gz FDDIJAATEAMSCT-LBPRGKRZSA-N 1 1 391.428 0.040 20 5 GCBDMO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000474360653 1196111711 /nfs/dbraw/zinc/11/17/11/1196111711.db2.gz YLLYWKILHDRPKN-CQSZACIVSA-N 1 1 380.445 0.872 20 5 GCBDMO CC(C)c1ccnc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000185848386 1196205393 /nfs/dbraw/zinc/20/53/93/1196205393.db2.gz XJEQXZDGNCJLLX-HNNXBMFYSA-N 1 1 375.433 0.888 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000280948085 1196268388 /nfs/dbraw/zinc/26/83/88/1196268388.db2.gz XAAHDNPHHPMTQV-OTWHNJEPSA-N 1 1 387.440 0.737 20 5 GCBDMO C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000281191079 1196282793 /nfs/dbraw/zinc/28/27/93/1196282793.db2.gz KGZOAKKCRXLELX-NEPJUHHUSA-N 1 1 382.442 0.615 20 5 GCBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)cc2n(C)c1=O ZINC000897218056 1196405738 /nfs/dbraw/zinc/40/57/38/1196405738.db2.gz AOQUMBDWSKMYFQ-OLZOCXBDSA-N 1 1 375.429 0.821 20 5 GCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000444351226 1196417451 /nfs/dbraw/zinc/41/74/51/1196417451.db2.gz JLBZZZBEJBCHGS-LBPRGKRZSA-N 1 1 390.396 0.387 20 5 GCBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000444363974 1196427372 /nfs/dbraw/zinc/42/73/72/1196427372.db2.gz OUCUTUOMLFZIBJ-UHFFFAOYSA-N 1 1 378.385 0.292 20 5 GCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000444381479 1196452261 /nfs/dbraw/zinc/45/22/61/1196452261.db2.gz KQKRSJSHYYZVMU-CHWSQXEVSA-N 1 1 396.469 0.786 20 5 GCBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000783608124 1196492359 /nfs/dbraw/zinc/49/23/59/1196492359.db2.gz VKADWPNILBQYGG-ZDUSSCGKSA-N 1 1 393.396 0.882 20 5 GCBDMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440495375 1196509372 /nfs/dbraw/zinc/50/93/72/1196509372.db2.gz OWIBVDPCIOQBAM-LSDHHAIUSA-N 1 1 390.444 0.603 20 5 GCBDMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440495375 1196509375 /nfs/dbraw/zinc/50/93/75/1196509375.db2.gz OWIBVDPCIOQBAM-LSDHHAIUSA-N 1 1 390.444 0.603 20 5 GCBDMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496109 1196511281 /nfs/dbraw/zinc/51/12/81/1196511281.db2.gz QVVTXZLAZHMLOQ-OLZOCXBDSA-N 1 1 376.417 0.200 20 5 GCBDMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496109 1196511285 /nfs/dbraw/zinc/51/12/85/1196511285.db2.gz QVVTXZLAZHMLOQ-OLZOCXBDSA-N 1 1 376.417 0.200 20 5 GCBDMO 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O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000599108986 530159977 /nfs/dbraw/zinc/15/99/77/530159977.db2.gz YAZZYEIPIFNESR-SECBINFHSA-N 1 1 380.220 0.624 20 5 GCBDMO CNS(=O)(=O)CC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000276115461 530252218 /nfs/dbraw/zinc/25/22/18/530252218.db2.gz XUDSVAGHVGNMDS-UHFFFAOYSA-N 1 1 383.373 0.886 20 5 GCBDMO CS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000518966358 530256884 /nfs/dbraw/zinc/25/68/84/530256884.db2.gz LTYJKNNWIOGDNT-UHFFFAOYSA-N 1 1 376.456 0.925 20 5 GCBDMO CC(C)(C)NS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564444724 530350730 /nfs/dbraw/zinc/35/07/30/530350730.db2.gz RRLLTGYWKPPCNF-UHFFFAOYSA-N 1 1 393.487 0.676 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000567346533 530454014 /nfs/dbraw/zinc/45/40/14/530454014.db2.gz MLZAEJPFVHMQFK-AWEZNQCLSA-N 1 1 376.456 0.925 20 5 GCBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000275737870 530499090 /nfs/dbraw/zinc/49/90/90/530499090.db2.gz YXESJZCAMMWHKM-JTQLQIEISA-N 1 1 377.394 0.742 20 5 GCBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000275737870 530499092 /nfs/dbraw/zinc/49/90/92/530499092.db2.gz YXESJZCAMMWHKM-JTQLQIEISA-N 1 1 377.394 0.742 20 5 GCBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1Cl ZINC000265282507 530527241 /nfs/dbraw/zinc/52/72/41/530527241.db2.gz XRSSLBFQQNPLHK-ZFWWWQNUSA-N 1 1 389.861 0.836 20 5 GCBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1Cl ZINC000265282504 530527326 /nfs/dbraw/zinc/52/73/26/530527326.db2.gz XRSSLBFQQNPLHK-DZGCQCFKSA-N 1 1 389.861 0.836 20 5 GCBDMO CCOC[C@@H](O)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736609220 598338659 /nfs/dbraw/zinc/33/86/59/598338659.db2.gz PDHBFIQVUXQGQH-ZDUSSCGKSA-N 1 1 377.405 0.294 20 5 GCBDMO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736570017 598498604 /nfs/dbraw/zinc/49/86/04/598498604.db2.gz MUIHDEXZGCWRBF-GFCCVEGCSA-N 1 1 375.437 0.855 20 5 GCBDMO CCCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825282464 607612794 /nfs/dbraw/zinc/61/27/94/607612794.db2.gz SRUYPPDAFLIHEH-UHFFFAOYSA-N 1 1 383.434 0.785 20 5 GCBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825282464 607612797 /nfs/dbraw/zinc/61/27/97/607612797.db2.gz SRUYPPDAFLIHEH-UHFFFAOYSA-N 1 1 383.434 0.785 20 5 GCBDMO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825855036 607613682 /nfs/dbraw/zinc/61/36/82/607613682.db2.gz GFRAJIRELUIQHX-SNVBAGLBSA-N 1 1 381.418 0.490 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000826499993 607614299 /nfs/dbraw/zinc/61/42/99/607614299.db2.gz HLHUGAGMIDWJLG-SNVBAGLBSA-N 1 1 379.402 0.244 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1-c1nn[nH]n1 ZINC000826499993 607614300 /nfs/dbraw/zinc/61/43/00/607614300.db2.gz HLHUGAGMIDWJLG-SNVBAGLBSA-N 1 1 379.402 0.244 20 5 GCBDMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999191 607614687 /nfs/dbraw/zinc/61/46/87/607614687.db2.gz DLEXJPUMIQGEIJ-MNOVXSKESA-N 1 1 393.429 0.632 20 5 GCBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999191 607614689 /nfs/dbraw/zinc/61/46/89/607614689.db2.gz DLEXJPUMIQGEIJ-MNOVXSKESA-N 1 1 393.429 0.632 20 5 GCBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824893076 607647094 /nfs/dbraw/zinc/64/70/94/607647094.db2.gz OZTSMOPLEIZHAO-VHSXEESVSA-N 1 1 381.418 0.536 20 5 GCBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[N@H+]1C ZINC000824893076 607647096 /nfs/dbraw/zinc/64/70/96/607647096.db2.gz OZTSMOPLEIZHAO-VHSXEESVSA-N 1 1 381.418 0.536 20 5 GCBDMO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825854474 607662585 /nfs/dbraw/zinc/66/25/85/607662585.db2.gz BNTIPVVLSJSXHH-WDEREUQCSA-N 1 1 395.445 0.926 20 5 GCBDMO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821181618 606736290 /nfs/dbraw/zinc/73/62/90/606736290.db2.gz NKSGAJNLKYPXHR-NSHDSACASA-N 1 1 395.445 0.880 20 5 GCBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821621875 607126304 /nfs/dbraw/zinc/12/63/04/607126304.db2.gz JRROAZVEMSBPRU-VIFPVBQESA-N 1 1 388.417 0.864 20 5 GCBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842512306 642339490 /nfs/dbraw/zinc/33/94/90/642339490.db2.gz JNORFYULQSHPEF-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1Br ZINC000858628180 642962912 /nfs/dbraw/zinc/96/29/12/642962912.db2.gz KWUCLZHPGAKPLQ-MRVPVSSYSA-N 1 1 380.220 0.624 20 5 GCBDMO C[N@@H+]1C[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278848118 1192174921 /nfs/dbraw/zinc/17/49/21/1192174921.db2.gz XBNRCYVNSNAAQE-OKILXGFUSA-N 1 1 396.469 0.614 20 5 GCBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026175084 1192188206 /nfs/dbraw/zinc/18/82/06/1192188206.db2.gz SIARRCSAVSEUOU-LSDHHAIUSA-N 1 1 387.458 0.738 20 5 GCBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026175084 1192188208 /nfs/dbraw/zinc/18/82/08/1192188208.db2.gz SIARRCSAVSEUOU-LSDHHAIUSA-N 1 1 387.458 0.738 20 5 GCBDMO COc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000106267390 1192363467 /nfs/dbraw/zinc/36/34/67/1192363467.db2.gz JGLAGDRWTLXELF-UHFFFAOYSA-N 1 1 386.474 0.909 20 5 GCBDMO Cc1c(CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000585690254 1192370972 /nfs/dbraw/zinc/37/09/72/1192370972.db2.gz NOCBTSHQICOCOS-INIZCTEOSA-N 1 1 392.456 0.992 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC=CCC1 ZINC000279834092 1192610657 /nfs/dbraw/zinc/61/06/57/1192610657.db2.gz HDNAXOQPVFGGQD-UHFFFAOYSA-N 1 1 397.457 0.434 20 5 GCBDMO CC[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000557534393 1184077881 /nfs/dbraw/zinc/07/78/81/1184077881.db2.gz AKOOECICBRVZKA-CYBMUJFWSA-N 1 1 384.458 0.816 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)C1 ZINC000153844100 1184084557 /nfs/dbraw/zinc/08/45/57/1184084557.db2.gz GIMMESIDIXMRNL-CQSZACIVSA-N 1 1 386.412 0.945 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C1 ZINC000153844100 1184084561 /nfs/dbraw/zinc/08/45/61/1184084561.db2.gz GIMMESIDIXMRNL-CQSZACIVSA-N 1 1 386.412 0.945 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C1 ZINC000153844100 1184084567 /nfs/dbraw/zinc/08/45/67/1184084567.db2.gz GIMMESIDIXMRNL-CQSZACIVSA-N 1 1 386.412 0.945 20 5 GCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274543375 1184092696 /nfs/dbraw/zinc/09/26/96/1184092696.db2.gz FTMSPSXLBJFCIX-UHFFFAOYSA-N 1 1 384.458 0.768 20 5 GCBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000274954260 1184438432 /nfs/dbraw/zinc/43/84/32/1184438432.db2.gz FFAKPXZDVJRPBW-GFCCVEGCSA-N 1 1 380.376 0.536 20 5 GCBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000275005143 1184456475 /nfs/dbraw/zinc/45/64/75/1184456475.db2.gz OOZADYBWPRRMRV-LBPRGKRZSA-N 1 1 390.396 0.402 20 5 GCBDMO Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000275169881 1184540069 /nfs/dbraw/zinc/54/00/69/1184540069.db2.gz KXVGQBRBCVHSFH-QGZVFWFLSA-N 1 1 388.428 0.300 20 5 GCBDMO COCCC[N@@H+](CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275533308 1184700559 /nfs/dbraw/zinc/70/05/59/1184700559.db2.gz XLGABBTXWCQVFU-UHFFFAOYSA-N 1 1 380.445 0.574 20 5 GCBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)CN1CCOCC1 ZINC000275653368 1184866389 /nfs/dbraw/zinc/86/63/89/1184866389.db2.gz UKHGCOWEBYGIIG-AWEZNQCLSA-N 1 1 384.408 0.687 20 5 GCBDMO Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001707886304 1185403028 /nfs/dbraw/zinc/40/30/28/1185403028.db2.gz PIGXEAQIDDVPHR-KRWDZBQOSA-N 1 1 390.448 0.599 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000276185134 1185668389 /nfs/dbraw/zinc/66/83/89/1185668389.db2.gz YNKKDCBXRFWHRW-UHFFFAOYSA-N 1 1 391.428 0.578 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430604060 1185688233 /nfs/dbraw/zinc/68/82/33/1185688233.db2.gz LSLONQBQAWQTEN-UHFFFAOYSA-N 1 1 379.417 0.296 20 5 GCBDMO CN(C)S(=O)(=O)c1ccc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000477115700 1185792744 /nfs/dbraw/zinc/79/27/44/1185792744.db2.gz FTWJVKFABQOFOM-CQSZACIVSA-N 1 1 399.473 0.597 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000610912372 1185956502 /nfs/dbraw/zinc/95/65/02/1185956502.db2.gz AZVROCAFJMKFID-MFKMUULPSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000610912372 1185956508 /nfs/dbraw/zinc/95/65/08/1185956508.db2.gz AZVROCAFJMKFID-MFKMUULPSA-N 1 1 376.369 0.026 20 5 GCBDMO COC(=O)c1cc(NC(=O)C(=O)NCCn2cc[nH+]c2C)c(C)c([N+](=O)[O-])c1 ZINC000276889391 1186137301 /nfs/dbraw/zinc/13/73/01/1186137301.db2.gz NMNLOGZHRVYCHR-UHFFFAOYSA-N 1 1 389.368 0.950 20 5 GCBDMO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535710624 1186203661 /nfs/dbraw/zinc/20/36/61/1186203661.db2.gz UXAFSQSLPAMJCO-KBPBESRZSA-N 1 1 383.474 0.636 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610900821 1186253663 /nfs/dbraw/zinc/25/36/63/1186253663.db2.gz MGQRSUOTOVICCJ-IUODEOHRSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900821 1186253668 /nfs/dbraw/zinc/25/36/68/1186253668.db2.gz MGQRSUOTOVICCJ-IUODEOHRSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610900584 1186254540 /nfs/dbraw/zinc/25/45/40/1186254540.db2.gz BFGDXPAWQMRGSV-ZWNOBZJWSA-N 1 1 384.820 0.813 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610900584 1186254545 /nfs/dbraw/zinc/25/45/45/1186254545.db2.gz BFGDXPAWQMRGSV-ZWNOBZJWSA-N 1 1 384.820 0.813 20 5 GCBDMO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000610899654 1186255759 /nfs/dbraw/zinc/25/57/59/1186255759.db2.gz AOWPOPNLUQCXDM-UKRRQHHQSA-N 1 1 378.433 0.541 20 5 GCBDMO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899654 1186255766 /nfs/dbraw/zinc/25/57/66/1186255766.db2.gz AOWPOPNLUQCXDM-UKRRQHHQSA-N 1 1 378.433 0.541 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000277385327 1186357924 /nfs/dbraw/zinc/35/79/24/1186357924.db2.gz FNJJSDQPUYTVDR-OAHLLOKOSA-N 1 1 376.413 0.982 20 5 GCBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000263693485 1186463680 /nfs/dbraw/zinc/46/36/80/1186463680.db2.gz KENVBVXGKMHCQD-CQSZACIVSA-N 1 1 396.469 0.770 20 5 GCBDMO Cc1nn(CCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)c1[N+](=O)[O-] ZINC000263714599 1186465069 /nfs/dbraw/zinc/46/50/69/1186465069.db2.gz APQTUILSRVFHAY-OAHLLOKOSA-N 1 1 394.476 0.857 20 5 GCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000511102274 1186503908 /nfs/dbraw/zinc/50/39/08/1186503908.db2.gz RJHLFEMTMZSAPI-AWEZNQCLSA-N 1 1 378.429 0.942 20 5 GCBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388883 1186925504 /nfs/dbraw/zinc/92/55/04/1186925504.db2.gz VBIFQMCUSOAQNO-UWWQBHOKSA-N 1 1 384.429 0.680 20 5 GCBDMO CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@@H+]1C ZINC000410727152 1187444721 /nfs/dbraw/zinc/44/47/21/1187444721.db2.gz AFAJOQRTRTWPAO-OAHLLOKOSA-N 1 1 392.460 0.753 20 5 GCBDMO 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NC(=O)C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377609337 1188087289 /nfs/dbraw/zinc/08/72/89/1188087289.db2.gz YPFVPNWVKSVKIS-CQSZACIVSA-N 1 1 375.429 0.441 20 5 GCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415580865 1188112319 /nfs/dbraw/zinc/11/23/19/1188112319.db2.gz MKOKRKRDRFRVII-UHFFFAOYSA-N 1 1 397.457 0.663 20 5 GCBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000415605526 1188122222 /nfs/dbraw/zinc/12/22/22/1188122222.db2.gz OGIFOQWGZWBUIC-ZDUSSCGKSA-N 1 1 393.375 0.095 20 5 GCBDMO CC(C)N1CC[NH+](C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000378318488 1189473414 /nfs/dbraw/zinc/47/34/14/1189473414.db2.gz VOLNHRKJBVGSJF-UHFFFAOYSA-N 1 1 393.492 0.991 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416298584 1189484995 /nfs/dbraw/zinc/48/49/95/1189484995.db2.gz QZRUFPADRQZFJA-MCIONIFRSA-N 1 1 378.429 0.627 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416298584 1189484998 /nfs/dbraw/zinc/48/49/98/1189484998.db2.gz QZRUFPADRQZFJA-MCIONIFRSA-N 1 1 378.429 0.627 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417169574 1189628689 /nfs/dbraw/zinc/62/86/89/1189628689.db2.gz BXPNZUAGGMOMKE-HNNXBMFYSA-N 1 1 391.428 0.709 20 5 GCBDMO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482625 1189669560 /nfs/dbraw/zinc/66/95/60/1189669560.db2.gz VQHAPFLHBMIIHJ-RHSMWYFYSA-N 1 1 380.401 0.301 20 5 GCBDMO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000452577008 1189703292 /nfs/dbraw/zinc/70/32/92/1189703292.db2.gz HMQHFSNMKNSCEQ-NSHDSACASA-N 1 1 382.442 0.799 20 5 GCBDMO O=C1CN([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906920 1189820851 /nfs/dbraw/zinc/82/08/51/1189820851.db2.gz RMZGLNQQLDMKGD-ZFWWWQNUSA-N 1 1 386.412 0.685 20 5 GCBDMO 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CC[N@@H+](CCO)CCNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274695313 1193900816 /nfs/dbraw/zinc/90/08/16/1193900816.db2.gz WGWVGVZVKVDSLB-UHFFFAOYSA-N 1 1 384.433 0.768 20 5 GCBDMO COc1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000543002414 1193918306 /nfs/dbraw/zinc/91/83/06/1193918306.db2.gz BCEPWSOJMKXOTB-UHFFFAOYSA-N 1 1 393.444 0.686 20 5 GCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513481619 1193955747 /nfs/dbraw/zinc/95/57/47/1193955747.db2.gz SDPAJQYBWRSDFL-LBPRGKRZSA-N 1 1 385.442 0.839 20 5 GCBDMO CN(c1ncc([N+](=O)[O-])cc1F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000413132480 1194076243 /nfs/dbraw/zinc/07/62/43/1194076243.db2.gz ISUYONCSTUVFDS-UHFFFAOYSA-N 1 1 394.451 0.804 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000502025963 1194256761 /nfs/dbraw/zinc/25/67/61/1194256761.db2.gz GQQPIKOVPCJZFJ-NWDGAFQWSA-N 1 1 380.401 0.649 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366946865 1194337785 /nfs/dbraw/zinc/33/77/85/1194337785.db2.gz UIWNZFXXUUDVEA-ZIAGYGMSSA-N 1 1 392.412 0.911 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000421705565 1194357593 /nfs/dbraw/zinc/35/75/93/1194357593.db2.gz RQVADPJRDDFGJZ-CQSZACIVSA-N 1 1 384.458 0.768 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413899067 1194357782 /nfs/dbraw/zinc/35/77/82/1194357782.db2.gz BZWWHBODYVGMTK-LLVKDONJSA-N 1 1 381.385 0.789 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413899067 1194357785 /nfs/dbraw/zinc/35/77/85/1194357785.db2.gz BZWWHBODYVGMTK-LLVKDONJSA-N 1 1 381.385 0.789 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@H+](C)C1 ZINC000413919553 1194360528 /nfs/dbraw/zinc/36/05/28/1194360528.db2.gz MQADUUZQFDGRJE-LBPRGKRZSA-N 1 1 388.384 0.352 20 5 GCBDMO 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COC(=O)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+](C)C1 ZINC000413923617 1194362829 /nfs/dbraw/zinc/36/28/29/1194362829.db2.gz RLSUQOBGBLDELO-CYBMUJFWSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+](C)C1 ZINC000413923617 1194362834 /nfs/dbraw/zinc/36/28/34/1194362834.db2.gz RLSUQOBGBLDELO-CYBMUJFWSA-N 1 1 387.396 0.957 20 5 GCBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000280764910 1194372045 /nfs/dbraw/zinc/37/20/45/1194372045.db2.gz BHENKRZMLLDCKI-GFCCVEGCSA-N 1 1 382.442 0.474 20 5 GCBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000421992328 1194376220 /nfs/dbraw/zinc/37/62/20/1194376220.db2.gz QQCNZBBOJMGWQK-INIZCTEOSA-N 1 1 396.469 0.958 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422098409 1194384139 /nfs/dbraw/zinc/38/41/39/1194384139.db2.gz JVDNNRLUUJJBRM-OAHLLOKOSA-N 1 1 389.456 0.796 20 5 GCBDMO CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000422289760 1194604477 /nfs/dbraw/zinc/60/44/77/1194604477.db2.gz BGFXEZRGJQKHCT-UHFFFAOYSA-N 1 1 390.444 0.239 20 5 GCBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000422337032 1194619481 /nfs/dbraw/zinc/61/94/81/1194619481.db2.gz ICLLOZROCKPDSP-LBPRGKRZSA-N 1 1 388.428 0.935 20 5 GCBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422383565 1194630915 /nfs/dbraw/zinc/63/09/15/1194630915.db2.gz VVKOVLLXBVFUGU-UHFFFAOYSA-N 1 1 392.460 0.487 20 5 GCBDMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041719830 1194702161 /nfs/dbraw/zinc/70/21/61/1194702161.db2.gz MEYJBRVZZRYXKL-UHFFFAOYSA-N 1 1 377.445 0.986 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422938358 1194709976 /nfs/dbraw/zinc/70/99/76/1194709976.db2.gz PLBNRGYVYLGIOK-JKSUJKDBSA-N 1 1 384.458 0.230 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422951196 1194711931 /nfs/dbraw/zinc/71/19/31/1194711931.db2.gz ZVQCHGLCRZHMPX-CVEARBPZSA-N 1 1 384.458 0.230 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000435001506 1194881523 /nfs/dbraw/zinc/88/15/23/1194881523.db2.gz XNOXRVGXRMJCIC-HNNXBMFYSA-N 1 1 396.444 0.557 20 5 GCBDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000514774464 1194906921 /nfs/dbraw/zinc/90/69/21/1194906921.db2.gz HWRJCZOYXWVAIH-INIZCTEOSA-N 1 1 375.433 0.089 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1=O ZINC000425308483 1194907899 /nfs/dbraw/zinc/90/78/99/1194907899.db2.gz BZZBHFVSZMESQJ-CQSZACIVSA-N 1 1 378.429 0.812 20 5 GCBDMO CNc1c(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)cccc1[N+](=O)[O-] ZINC000425315728 1194911427 /nfs/dbraw/zinc/91/14/27/1194911427.db2.gz KTFHSYXWZCHSKF-ZDUSSCGKSA-N 1 1 393.444 0.545 20 5 GCBDMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425545945 1195005622 /nfs/dbraw/zinc/00/56/22/1195005622.db2.gz RNFGEOQBVCGDRU-AWEZNQCLSA-N 1 1 387.396 0.770 20 5 GCBDMO NC(=O)c1ccnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000516899393 1195111213 /nfs/dbraw/zinc/11/12/13/1195111213.db2.gz MMDXHOUHTNBALP-UHFFFAOYSA-N 1 1 376.417 0.223 20 5 GCBDMO NC(=O)c1ccnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000516899393 1195111215 /nfs/dbraw/zinc/11/12/15/1195111215.db2.gz MMDXHOUHTNBALP-UHFFFAOYSA-N 1 1 376.417 0.223 20 5 GCBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000517564794 1195193863 /nfs/dbraw/zinc/19/38/63/1195193863.db2.gz IEMWXLHISCWKOT-UHFFFAOYSA-N 1 1 382.442 0.271 20 5 GCBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000518139654 1195251688 /nfs/dbraw/zinc/25/16/88/1195251688.db2.gz OZWXUAPCUUUIJY-OAHLLOKOSA-N 1 1 391.428 0.579 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000518891979 1195342784 /nfs/dbraw/zinc/34/27/84/1195342784.db2.gz VDWJQRMWPTXCRU-UHFFFAOYSA-N 1 1 387.396 0.789 20 5 GCBDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000518914708 1195346548 /nfs/dbraw/zinc/34/65/48/1195346548.db2.gz DDQRDLURYJKSTP-KRWDZBQOSA-N 1 1 390.440 0.924 20 5 GCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000518914908 1195346685 /nfs/dbraw/zinc/34/66/85/1195346685.db2.gz PGIOZQFWIGDBNO-OAHLLOKOSA-N 1 1 377.445 0.725 20 5 GCBDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000439937983 1195368481 /nfs/dbraw/zinc/36/84/81/1195368481.db2.gz CSPRMLTWUQDZOI-FZMZJTMJSA-N 1 1 383.430 0.493 20 5 GCBDMO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266849940 1195757903 /nfs/dbraw/zinc/75/79/03/1195757903.db2.gz QQOXUOYNTYBCRG-LBPRGKRZSA-N 1 1 384.458 0.964 20 5 GCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506239 1195777500 /nfs/dbraw/zinc/77/75/00/1195777500.db2.gz OVZDXSMOBVGTGG-HZPDHXFCSA-N 1 1 390.444 0.685 20 5 GCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000442305631 1195975614 /nfs/dbraw/zinc/97/56/14/1195975614.db2.gz LUJWKECYICDPJW-UHFFFAOYSA-N 1 1 377.401 0.202 20 5 GCBDMO C[NH+]1CCN(C(=O)C2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000439098255 1196018102 /nfs/dbraw/zinc/01/81/02/1196018102.db2.gz KQTQFPSOEHUWCQ-UHFFFAOYSA-N 1 1 375.429 0.684 20 5 GCBDMO CNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000151620549 1196063757 /nfs/dbraw/zinc/06/37/57/1196063757.db2.gz MQCBRKNWQVLXFY-HNNXBMFYSA-N 1 1 375.429 0.697 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000025232306 1196067287 /nfs/dbraw/zinc/06/72/87/1196067287.db2.gz DERSOXUYSRTZEA-UHFFFAOYSA-N 1 1 387.400 0.116 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+](C)C1 ZINC000840499176 1196141691 /nfs/dbraw/zinc/14/16/91/1196141691.db2.gz ODEHWIGPSWZLNN-LLVKDONJSA-N 1 1 382.392 0.977 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+](C)C1 ZINC000840499176 1196141695 /nfs/dbraw/zinc/14/16/95/1196141695.db2.gz ODEHWIGPSWZLNN-LLVKDONJSA-N 1 1 382.392 0.977 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896547970 1196159566 /nfs/dbraw/zinc/15/95/66/1196159566.db2.gz GUYNRHLCGPHTMV-PBHICJAKSA-N 1 1 391.472 0.796 20 5 GCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896572538 1196167872 /nfs/dbraw/zinc/16/78/72/1196167872.db2.gz QDKPGURVVYPUOL-RDTXWAMCSA-N 1 1 391.472 0.796 20 5 GCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281422498 1196294637 /nfs/dbraw/zinc/29/46/37/1196294637.db2.gz BDNKRGWPSRIUCC-KGLIPLIRSA-N 1 1 378.429 0.628 20 5 GCBDMO C[N@H+]1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281634975 1196315809 /nfs/dbraw/zinc/31/58/09/1196315809.db2.gz ABJVKYFXFPIKKX-UHFFFAOYSA-N 1 1 391.472 0.857 20 5 GCBDMO CNS(=O)(=O)c1ccc(NCCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281686239 1196322794 /nfs/dbraw/zinc/32/27/94/1196322794.db2.gz RGVDZRNUPBKPCL-UHFFFAOYSA-N 1 1 385.490 0.941 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281820562 1196337247 /nfs/dbraw/zinc/33/72/47/1196337247.db2.gz RBGDTAQJWIVXJP-UHFFFAOYSA-N 1 1 391.472 0.775 20 5 GCBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186616077 1196470387 /nfs/dbraw/zinc/47/03/87/1196470387.db2.gz JBZBRFJNVBVCLY-MRXNPFEDSA-N 1 1 398.423 0.817 20 5 GCBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000783608122 1196492555 /nfs/dbraw/zinc/49/25/55/1196492555.db2.gz VKADWPNILBQYGG-CYBMUJFWSA-N 1 1 393.396 0.882 20 5 GCBDMO CC(C)[N@@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000523191206 1196500968 /nfs/dbraw/zinc/50/09/68/1196500968.db2.gz UTUAGEOVKVNSCE-UHFFFAOYSA-N 1 1 387.462 0.513 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440508666 1196511208 /nfs/dbraw/zinc/51/12/08/1196511208.db2.gz CODKUZCCTZESDG-LJQANCHMSA-N 1 1 386.408 0.510 20 5 GCBDMO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440504147 1196512400 /nfs/dbraw/zinc/51/24/00/1196512400.db2.gz WIOWJXATMPPFMV-PBHICJAKSA-N 1 1 383.449 0.548 20 5 GCBDMO COc1ccc(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000524419931 1196594318 /nfs/dbraw/zinc/59/43/18/1196594318.db2.gz HVJQFIBSQVSTMZ-AWEZNQCLSA-N 1 1 378.429 0.850 20 5 GCBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000524696549 1196616998 /nfs/dbraw/zinc/61/69/98/1196616998.db2.gz RGRAFAVWIXGCDI-ZDUSSCGKSA-N 1 1 396.444 0.604 20 5 GCBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000524696549 1196617005 /nfs/dbraw/zinc/61/70/05/1196617005.db2.gz RGRAFAVWIXGCDI-ZDUSSCGKSA-N 1 1 396.444 0.604 20 5 GCBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000524890477 1196636361 /nfs/dbraw/zinc/63/63/61/1196636361.db2.gz GNWBPFHNKPDXHI-CQSZACIVSA-N 1 1 396.469 0.830 20 5 GCBDMO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000509657290 1196736094 /nfs/dbraw/zinc/73/60/94/1196736094.db2.gz LRHAUWYAFJUENP-OLZOCXBDSA-N 1 1 384.458 0.766 20 5 GCBDMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCn1ccc([N+](=O)[O-])n1 ZINC000451988365 1197029557 /nfs/dbraw/zinc/02/95/57/1197029557.db2.gz NIUFLNOGZSTTIS-UHFFFAOYSA-N 1 1 387.393 0.589 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000452051784 1197033758 /nfs/dbraw/zinc/03/37/58/1197033758.db2.gz UVZUMDMPMKWXEC-INIZCTEOSA-N 1 1 379.417 0.580 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452345744 1197052697 /nfs/dbraw/zinc/05/26/97/1197052697.db2.gz FPOLTAVLRGTQET-AWEZNQCLSA-N 1 1 394.428 0.296 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452383096 1197055947 /nfs/dbraw/zinc/05/59/47/1197055947.db2.gz OFFMNHPYASVXRM-KBPBESRZSA-N 1 1 382.465 0.790 20 5 GCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452779371 1197081177 /nfs/dbraw/zinc/08/11/77/1197081177.db2.gz BFFLTTNSXLUSSC-LBPRGKRZSA-N 1 1 390.396 0.154 20 5 GCBDMO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000520185543 1197083410 /nfs/dbraw/zinc/08/34/10/1197083410.db2.gz ZDDOVCXRYWSDHU-LBPRGKRZSA-N 1 1 382.442 0.616 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000453939717 1197236315 /nfs/dbraw/zinc/23/63/15/1197236315.db2.gz QQWOPGUDFUBKMP-TXEJJXNPSA-N 1 1 380.401 0.455 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000453939717 1197236321 /nfs/dbraw/zinc/23/63/21/1197236321.db2.gz QQWOPGUDFUBKMP-TXEJJXNPSA-N 1 1 380.401 0.455 20 5 GCBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536604997 1197375800 /nfs/dbraw/zinc/37/58/00/1197375800.db2.gz OPJVKXOVCLGIKX-STQMWFEESA-N 1 1 384.458 0.814 20 5 GCBDMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533057987 1197429587 /nfs/dbraw/zinc/42/95/87/1197429587.db2.gz YPOALKUGPPZODQ-MCIONIFRSA-N 1 1 390.444 0.588 20 5 GCBDMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533057987 1197429589 /nfs/dbraw/zinc/42/95/89/1197429589.db2.gz YPOALKUGPPZODQ-MCIONIFRSA-N 1 1 390.444 0.588 20 5 GCBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533060506 1197429932 /nfs/dbraw/zinc/42/99/32/1197429932.db2.gz AHULSSVBLGVSHD-CYBMUJFWSA-N 1 1 398.441 0.906 20 5 GCBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533060506 1197429935 /nfs/dbraw/zinc/42/99/35/1197429935.db2.gz AHULSSVBLGVSHD-CYBMUJFWSA-N 1 1 398.441 0.906 20 5 GCBDMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378864 1197448266 /nfs/dbraw/zinc/44/82/66/1197448266.db2.gz TWMVHEVDTORYHA-GXTWGEPZSA-N 1 1 390.444 0.588 20 5 GCBDMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378864 1197448269 /nfs/dbraw/zinc/44/82/69/1197448269.db2.gz TWMVHEVDTORYHA-GXTWGEPZSA-N 1 1 390.444 0.588 20 5 GCBDMO CNc1nc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000455336593 1197456090 /nfs/dbraw/zinc/45/60/90/1197456090.db2.gz ZHSZKSGTASZWJF-CQSZACIVSA-N 1 1 378.433 0.704 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895107 1197485261 /nfs/dbraw/zinc/48/52/61/1197485261.db2.gz OXAPOGQLYKZBBK-CYBMUJFWSA-N 1 1 378.429 0.628 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895107 1197485263 /nfs/dbraw/zinc/48/52/63/1197485263.db2.gz OXAPOGQLYKZBBK-CYBMUJFWSA-N 1 1 378.429 0.628 20 5 GCBDMO COC(=O)c1cn(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)nn1 ZINC000273568143 1199034230 /nfs/dbraw/zinc/03/42/30/1199034230.db2.gz FKPILUFVYSOPTK-UHFFFAOYSA-N 1 1 388.384 0.909 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000465736926 1199038666 /nfs/dbraw/zinc/03/86/66/1199038666.db2.gz LOJHGIBLAPUZQX-QWHCGFSZSA-N 1 1 399.473 0.655 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000542995708 1199323392 /nfs/dbraw/zinc/32/33/92/1199323392.db2.gz XGJKFQCXPFDSFT-ZDUSSCGKSA-N 1 1 392.412 0.723 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000555156469 1199809579 /nfs/dbraw/zinc/80/95/79/1199809579.db2.gz JZMVBNKMXCREFF-OAHLLOKOSA-N 1 1 391.428 0.839 20 5 GCBDMO Cn1c2ncn(CC[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000282417465 1199919359 /nfs/dbraw/zinc/91/93/59/1199919359.db2.gz JAOJOIUNHZWTDK-UHFFFAOYSA-N 1 1 386.412 0.516 20 5 GCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000282430909 1199928791 /nfs/dbraw/zinc/92/87/91/1199928791.db2.gz IZJAVABMEOWXDD-ZDUSSCGKSA-N 1 1 395.391 0.437 20 5 GCBDMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000056027608 1199929605 /nfs/dbraw/zinc/92/96/05/1199929605.db2.gz GIHRWBVUWNIZOZ-UHFFFAOYSA-N 1 1 386.412 0.747 20 5 GCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162043204 1199929643 /nfs/dbraw/zinc/92/96/43/1199929643.db2.gz CACXHVSXFGSSAP-IYBDPMFKSA-N 1 1 393.492 0.991 20 5 GCBDMO C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174719630 1200404527 /nfs/dbraw/zinc/40/45/27/1200404527.db2.gz LFPGMNBWZADCKF-DOTOQJQBSA-N 1 1 394.476 0.171 20 5 GCBDMO 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387.502 0.945 20 5 GCBDMO O=C(NCc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2)C1CC1 ZINC001169023014 1201931321 /nfs/dbraw/zinc/93/13/21/1201931321.db2.gz OCHJCPZMGFEANX-XJKSGUPXSA-N 1 1 389.456 0.921 20 5 GCBDMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)C[C@@H]32)cn1 ZINC001169026759 1201931375 /nfs/dbraw/zinc/93/13/75/1201931375.db2.gz NVJOSJJBVCSXFR-PSOLEGPJSA-N 1 1 391.472 0.932 20 5 GCBDMO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169023964 1201931453 /nfs/dbraw/zinc/93/14/53/1201931453.db2.gz WFTNWBPDZSFZTF-HIFRSBDPSA-N 1 1 393.444 0.157 20 5 GCBDMO O=C(NC[C@H]1Cn2ccnc2C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)c1ccnnc1 ZINC001169024929 1201931617 /nfs/dbraw/zinc/93/16/17/1201931617.db2.gz HVQYNVVJBRYILZ-YQQAZPJKSA-N 1 1 399.455 0.980 20 5 GCBDMO O=C(NC[C@H]1Cn2ccnc2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)c1ccnnc1 ZINC001169024929 1201931619 /nfs/dbraw/zinc/93/16/19/1201931619.db2.gz HVQYNVVJBRYILZ-YQQAZPJKSA-N 1 1 399.455 0.980 20 5 GCBDMO Cn1cc(N2C[C@]3(COCC[N@@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C3)OCC2=O)cn1 ZINC001169023535 1201931691 /nfs/dbraw/zinc/93/16/91/1201931691.db2.gz OYSWFOZFUIIBSH-HDMKZQKVSA-N 1 1 393.444 0.300 20 5 GCBDMO Cn1cc(N2C[C@]3(COCC[N@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C3)OCC2=O)cn1 ZINC001169023535 1201931694 /nfs/dbraw/zinc/93/16/94/1201931694.db2.gz OYSWFOZFUIIBSH-HDMKZQKVSA-N 1 1 393.444 0.300 20 5 GCBDMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000769470105 1202059113 /nfs/dbraw/zinc/05/91/13/1202059113.db2.gz KFKNMDSHKDKHTH-UHFFFAOYSA-N 1 1 387.396 0.588 20 5 GCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000770728419 1202108614 /nfs/dbraw/zinc/10/86/14/1202108614.db2.gz OZWVVEWLWMDXFM-CXAGYDPISA-N 1 1 378.429 0.880 20 5 GCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770728419 1202108621 /nfs/dbraw/zinc/10/86/21/1202108621.db2.gz OZWVVEWLWMDXFM-CXAGYDPISA-N 1 1 378.429 0.880 20 5 GCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000770728428 1202108730 /nfs/dbraw/zinc/10/87/30/1202108730.db2.gz OZWVVEWLWMDXFM-SUMWQHHRSA-N 1 1 378.429 0.880 20 5 GCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000770728428 1202108732 /nfs/dbraw/zinc/10/87/32/1202108732.db2.gz OZWVVEWLWMDXFM-SUMWQHHRSA-N 1 1 378.429 0.880 20 5 GCBDMO Cc1[nH+]ccn1CCOC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000771897913 1202168921 /nfs/dbraw/zinc/16/89/21/1202168921.db2.gz XPQGAFPABFGLPH-UHFFFAOYSA-N 1 1 383.386 0.402 20 5 GCBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)c([N+](=O)[O-])c1 ZINC001170341427 1205491025 /nfs/dbraw/zinc/49/10/25/1205491025.db2.gz ISBZLHCVCPOKSL-YJYMSZOUSA-N 1 1 390.440 0.957 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000808270252 1205604454 /nfs/dbraw/zinc/60/44/54/1205604454.db2.gz UKMZDHCVPQFWQI-LLVKDONJSA-N 1 1 397.407 0.225 20 5 GCBDMO CNC(=O)CN1CCO[C@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172905942 1205717594 /nfs/dbraw/zinc/71/75/94/1205717594.db2.gz FGDSDDPZMPOTJO-QRQLOZEOSA-N 1 1 388.468 0.973 20 5 GCBDMO Cc1c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001178974626 1205796774 /nfs/dbraw/zinc/79/67/74/1205796774.db2.gz UBIZGMNNYMXMFM-UHFFFAOYSA-N 1 1 387.444 0.803 20 5 GCBDMO Cc1c(C(=O)N2CCN(C)CC[N@H+](C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001178974626 1205796775 /nfs/dbraw/zinc/79/67/75/1205796775.db2.gz UBIZGMNNYMXMFM-UHFFFAOYSA-N 1 1 387.444 0.803 20 5 GCBDMO O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CC([NH2+]C2COC2)C1 ZINC001179457842 1205810484 /nfs/dbraw/zinc/81/04/84/1205810484.db2.gz LKOXISJVQGSYCA-UHFFFAOYSA-N 1 1 376.398 0.677 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001179470504 1205810863 /nfs/dbraw/zinc/81/08/63/1205810863.db2.gz XDEDBLJPYPCABV-ACJLOTCBSA-N 1 1 376.413 0.743 20 5 GCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001181440776 1205844705 /nfs/dbraw/zinc/84/47/05/1205844705.db2.gz DOLGJQHYDCXYHC-BPUTZDHNSA-N 1 1 375.429 0.850 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(N)n3)C2)C1 ZINC001164720227 720262701 /nfs/dbraw/zinc/26/27/01/720262701.db2.gz SRGBSFPAHUYJCB-QGZVFWFLSA-N 1 1 378.433 0.237 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(N)n3)C2)C1 ZINC001164720227 720262711 /nfs/dbraw/zinc/26/27/11/720262711.db2.gz SRGBSFPAHUYJCB-QGZVFWFLSA-N 1 1 378.433 0.237 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@@H]2C1 ZINC001164852536 720837449 /nfs/dbraw/zinc/83/74/49/720837449.db2.gz KKZHYSQBCXPKOH-CZUORRHYSA-N 1 1 394.428 0.950 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164848641 720846575 /nfs/dbraw/zinc/84/65/75/720846575.db2.gz APOUHMIIRXMMLR-XJKSGUPXSA-N 1 1 394.428 0.950 20 5 GCBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892835 721382571 /nfs/dbraw/zinc/38/25/71/721382571.db2.gz TVFPNKRSNMOVOP-IEBWSBKVSA-N 1 1 391.472 0.994 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000263751456 530255732 /nfs/dbraw/zinc/25/57/32/530255732.db2.gz XCNKBHRPFATWQO-UHFFFAOYSA-N 1 1 390.849 0.691 20 5 GCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580647550 530324524 /nfs/dbraw/zinc/32/45/24/530324524.db2.gz UMSYYJWZRFUREZ-JTQLQIEISA-N 1 1 383.352 0.104 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000567346534 530454221 /nfs/dbraw/zinc/45/42/21/530454221.db2.gz MLZAEJPFVHMQFK-CQSZACIVSA-N 1 1 376.456 0.925 20 5 GCBDMO O=C([C@H]1CSC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000269111821 530696611 /nfs/dbraw/zinc/69/66/11/530696611.db2.gz XIBHMESYFGRNDC-LLVKDONJSA-N 1 1 386.455 0.090 20 5 GCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000592389183 530766517 /nfs/dbraw/zinc/76/65/17/530766517.db2.gz UFYLRJTWJYXMGI-LLVKDONJSA-N 1 1 377.806 0.774 20 5 GCBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594843798 530887182 /nfs/dbraw/zinc/88/71/82/530887182.db2.gz RGKXUGGJYBGVQA-UHFFFAOYSA-N 1 1 376.410 0.374 20 5 GCBDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000373801484 530894415 /nfs/dbraw/zinc/89/44/15/530894415.db2.gz UQBMYTGDMXPELK-ZDUSSCGKSA-N 1 1 375.451 0.164 20 5 GCBDMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000373801484 530894420 /nfs/dbraw/zinc/89/44/20/530894420.db2.gz UQBMYTGDMXPELK-ZDUSSCGKSA-N 1 1 375.451 0.164 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826500469 607581516 /nfs/dbraw/zinc/58/15/16/607581516.db2.gz ZGKSVVCTOPJRCG-UHFFFAOYSA-N 1 1 381.418 0.539 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1-c1nn[nH]n1 ZINC000826499852 607613025 /nfs/dbraw/zinc/61/30/25/607613025.db2.gz AQKNKBHHUBAYKD-NSHDSACASA-N 1 1 393.429 0.538 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1-c1nn[nH]n1 ZINC000826499852 607613026 /nfs/dbraw/zinc/61/30/26/607613026.db2.gz AQKNKBHHUBAYKD-NSHDSACASA-N 1 1 393.429 0.538 20 5 GCBDMO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826028921 607616522 /nfs/dbraw/zinc/61/65/22/607616522.db2.gz KTMLMGCQVNOFGP-LLVKDONJSA-N 1 1 395.445 0.737 20 5 GCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826028921 607616523 /nfs/dbraw/zinc/61/65/23/607616523.db2.gz KTMLMGCQVNOFGP-LLVKDONJSA-N 1 1 395.445 0.737 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000823646819 606733505 /nfs/dbraw/zinc/73/35/05/606733505.db2.gz AKOYYPGQJDDRTB-NSHDSACASA-N 1 1 393.429 0.634 20 5 GCBDMO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820767065 606736404 /nfs/dbraw/zinc/73/64/04/606736404.db2.gz FTAGTFZXUHPHDH-GXSJLCMTSA-N 1 1 381.418 0.346 20 5 GCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821623189 607034766 /nfs/dbraw/zinc/03/47/66/607034766.db2.gz FTTQJUDAHMYWSZ-AWEZNQCLSA-N 1 1 386.416 0.518 20 5 GCBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821622310 607126188 /nfs/dbraw/zinc/12/61/88/607126188.db2.gz YTWXVLSBMIUPIK-SECBINFHSA-N 1 1 388.417 0.864 20 5 GCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Cl ZINC000761524354 640594712 /nfs/dbraw/zinc/59/47/12/640594712.db2.gz BLVKDDZJJZZHDR-ZFWWWQNUSA-N 1 1 389.861 0.836 20 5 GCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Cl ZINC000761524347 640594741 /nfs/dbraw/zinc/59/47/41/640594741.db2.gz BLVKDDZJJZZHDR-HIFRSBDPSA-N 1 1 389.861 0.836 20 5 GCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000762554363 640609556 /nfs/dbraw/zinc/60/95/56/640609556.db2.gz GOQWSCYOUPZQQF-GFCCVEGCSA-N 1 1 394.247 0.702 20 5 GCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000762556809 640610097 /nfs/dbraw/zinc/61/00/97/640610097.db2.gz WEGJSWMXWSLABI-GFCCVEGCSA-N 1 1 394.247 0.702 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839431 640762058 /nfs/dbraw/zinc/76/20/58/640762058.db2.gz TWTUJVBCILLYKR-LBPRGKRZSA-N 1 1 390.487 0.877 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839431 640762063 /nfs/dbraw/zinc/76/20/63/640762063.db2.gz TWTUJVBCILLYKR-LBPRGKRZSA-N 1 1 390.487 0.877 20 5 GCBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000842511921 642339294 /nfs/dbraw/zinc/33/92/94/642339294.db2.gz GYLKZPFFNBSUHM-UHFFFAOYSA-N 1 1 388.833 0.308 20 5 GCBDMO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000858628002 642962976 /nfs/dbraw/zinc/96/29/76/642962976.db2.gz IFVDWTZWINCCHA-VIFPVBQESA-N 1 1 380.220 0.624 20 5 GCBDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000164471318 1192165141 /nfs/dbraw/zinc/16/51/41/1192165141.db2.gz RIFPCGYYGXPPFP-KGLIPLIRSA-N 1 1 378.433 0.240 20 5 GCBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000279152236 1192474920 /nfs/dbraw/zinc/47/49/20/1192474920.db2.gz DQANOFRZEOFMFC-TXEJJXNPSA-N 1 1 397.457 0.064 20 5 GCBDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279585780 1192560067 /nfs/dbraw/zinc/56/00/67/1192560067.db2.gz CXWDYYAOSSYXSU-JLJPHGGASA-N 1 1 395.439 0.430 20 5 GCBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274566560 1184101986 /nfs/dbraw/zinc/10/19/86/1184101986.db2.gz QEJWJEMWCSSQAD-KRWDZBQOSA-N 1 1 392.456 0.938 20 5 GCBDMO Cc1c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274972998 1184443363 /nfs/dbraw/zinc/44/33/63/1184443363.db2.gz IOPJIHDDRRQAJV-GFCCVEGCSA-N 1 1 391.384 0.848 20 5 GCBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[N@H+](C)CC1 ZINC000888998057 1184565564 /nfs/dbraw/zinc/56/55/64/1184565564.db2.gz PLSAETVSVRLOEG-UHFFFAOYSA-N 1 1 391.472 0.751 20 5 GCBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[N@@H+](C)CC1 ZINC000888998057 1184565567 /nfs/dbraw/zinc/56/55/67/1184565567.db2.gz PLSAETVSVRLOEG-UHFFFAOYSA-N 1 1 391.472 0.751 20 5 GCBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000275318045 1184600546 /nfs/dbraw/zinc/60/05/46/1184600546.db2.gz ZRSFQIBFWJIBCF-UHFFFAOYSA-N 1 1 378.385 0.859 20 5 GCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000261634718 1185218959 /nfs/dbraw/zinc/21/89/59/1185218959.db2.gz BKGPXFIYUJAJFL-OAHLLOKOSA-N 1 1 382.384 0.696 20 5 GCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261711334 1185243731 /nfs/dbraw/zinc/24/37/31/1185243731.db2.gz KOHZFZRZUBYCIC-AWEZNQCLSA-N 1 1 393.425 0.519 20 5 GCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000548104436 1185255402 /nfs/dbraw/zinc/25/54/02/1185255402.db2.gz OFOXMFQTISQAIR-ZDUSSCGKSA-N 1 1 392.412 0.420 20 5 GCBDMO COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000548104436 1185255405 /nfs/dbraw/zinc/25/54/05/1185255405.db2.gz OFOXMFQTISQAIR-ZDUSSCGKSA-N 1 1 392.412 0.420 20 5 GCBDMO NC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000261784976 1185258131 /nfs/dbraw/zinc/25/81/31/1185258131.db2.gz HTDOVQTXYMZSEZ-XJKSGUPXSA-N 1 1 389.456 0.774 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000261810592 1185262195 /nfs/dbraw/zinc/26/21/95/1185262195.db2.gz WSFGETCLCBDNFG-DOMZBBRYSA-N 1 1 386.412 0.620 20 5 GCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000165714383 1185681370 /nfs/dbraw/zinc/68/13/70/1185681370.db2.gz XIEQLMCNGGAUJO-UHFFFAOYSA-N 1 1 386.412 0.403 20 5 GCBDMO COC(=O)CC[N@H+](CC(OC)OC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000274350661 1185725400 /nfs/dbraw/zinc/72/54/00/1185725400.db2.gz WZVKQOQTGRMEDM-CYBMUJFWSA-N 1 1 386.401 0.819 20 5 GCBDMO CN1CC[N@H+](C)C[C@@H]1c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000350045265 1185889591 /nfs/dbraw/zinc/88/95/91/1185889591.db2.gz IQWWFULUKTUFHA-GFCCVEGCSA-N 1 1 381.414 0.967 20 5 GCBDMO CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000350045265 1185889598 /nfs/dbraw/zinc/88/95/98/1185889598.db2.gz IQWWFULUKTUFHA-GFCCVEGCSA-N 1 1 381.414 0.967 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610900820 1186254036 /nfs/dbraw/zinc/25/40/36/1186254036.db2.gz MGQRSUOTOVICCJ-DOMZBBRYSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900820 1186254038 /nfs/dbraw/zinc/25/40/38/1186254038.db2.gz MGQRSUOTOVICCJ-DOMZBBRYSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899655 1186256307 /nfs/dbraw/zinc/25/63/07/1186256307.db2.gz AOWPOPNLUQCXDM-ZFWWWQNUSA-N 1 1 378.433 0.541 20 5 GCBDMO C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899655 1186256309 /nfs/dbraw/zinc/25/63/09/1186256309.db2.gz AOWPOPNLUQCXDM-ZFWWWQNUSA-N 1 1 378.433 0.541 20 5 GCBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000176267622 1186259499 /nfs/dbraw/zinc/25/94/99/1186259499.db2.gz GNIAUQDHLYQGLD-UHFFFAOYSA-N 1 1 392.420 0.992 20 5 GCBDMO CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000176267622 1186259510 /nfs/dbraw/zinc/25/95/10/1186259510.db2.gz GNIAUQDHLYQGLD-UHFFFAOYSA-N 1 1 392.420 0.992 20 5 GCBDMO CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000176267622 1186259512 /nfs/dbraw/zinc/25/95/12/1186259512.db2.gz GNIAUQDHLYQGLD-UHFFFAOYSA-N 1 1 392.420 0.992 20 5 GCBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000262401511 1186269527 /nfs/dbraw/zinc/26/95/27/1186269527.db2.gz AVKBYJJDSMAGHV-AWEZNQCLSA-N 1 1 396.469 0.797 20 5 GCBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000262478322 1186300423 /nfs/dbraw/zinc/30/04/23/1186300423.db2.gz CYYKDDSHJQGTID-CQSZACIVSA-N 1 1 396.469 0.797 20 5 GCBDMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000431345598 1186393690 /nfs/dbraw/zinc/39/36/90/1186393690.db2.gz VVPUNFJKKWVICO-UHFFFAOYSA-N 1 1 393.444 0.614 20 5 GCBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551278945 1186406779 /nfs/dbraw/zinc/40/67/79/1186406779.db2.gz YUHQDODIIIWGFP-CYBMUJFWSA-N 1 1 390.444 0.555 20 5 GCBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551497949 1186421842 /nfs/dbraw/zinc/42/18/42/1186421842.db2.gz IOSNWLQKUSIZAE-CABCVRRESA-N 1 1 390.444 0.698 20 5 GCBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551497952 1186423080 /nfs/dbraw/zinc/42/30/80/1186423080.db2.gz IOSNWLQKUSIZAE-LSDHHAIUSA-N 1 1 390.444 0.698 20 5 GCBDMO CC[N@@H+](CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263701806 1186466023 /nfs/dbraw/zinc/46/60/23/1186466023.db2.gz IPTUDIFLKCUREY-UHFFFAOYSA-N 1 1 399.473 0.657 20 5 GCBDMO CN1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+](C)CC1 ZINC000888986299 1186809131 /nfs/dbraw/zinc/80/91/31/1186809131.db2.gz ADWXTHJAWYHFJD-KRWDZBQOSA-N 1 1 375.429 0.794 20 5 GCBDMO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000278337069 1186895568 /nfs/dbraw/zinc/89/55/68/1186895568.db2.gz GXGOFUQXXNHCLW-PHIMTYICSA-N 1 1 384.414 0.955 20 5 GCBDMO COc1cc(C(=O)NCCCCN2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000536180293 1186973840 /nfs/dbraw/zinc/97/38/40/1186973840.db2.gz MPMCACVBRHJPDH-UHFFFAOYSA-N 1 1 380.445 0.723 20 5 GCBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052875867 1187015494 /nfs/dbraw/zinc/01/54/94/1187015494.db2.gz FTIYQESKROEWHQ-UHFFFAOYSA-N 1 1 398.485 0.987 20 5 GCBDMO COCC[N@@H+](C)CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000515045313 1187120698 /nfs/dbraw/zinc/12/06/98/1187120698.db2.gz IXYLHTDHLNPFAW-UHFFFAOYSA-N 1 1 380.401 0.405 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364424319 1187441626 /nfs/dbraw/zinc/44/16/26/1187441626.db2.gz AKKLULKIHOSYPO-CQSZACIVSA-N 1 1 382.442 0.698 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364424319 1187441631 /nfs/dbraw/zinc/44/16/31/1187441631.db2.gz AKKLULKIHOSYPO-CQSZACIVSA-N 1 1 382.442 0.698 20 5 GCBDMO CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000410890863 1187450704 /nfs/dbraw/zinc/45/07/04/1187450704.db2.gz HAXZTJRSZHEGEO-UHFFFAOYSA-N 1 1 378.433 0.507 20 5 GCBDMO 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CC[NH+]1CCN(C[C@H](C)CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000525960519 1196730113 /nfs/dbraw/zinc/73/01/13/1196730113.db2.gz MCADDBLUHZCRGK-CYBMUJFWSA-N 1 1 385.490 0.928 20 5 GCBDMO C[C@](O)(CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C[NH+]1CCOCC1 ZINC000450054673 1196909472 /nfs/dbraw/zinc/90/94/72/1196909472.db2.gz YRDUBPXMAPOQIW-SFHVURJKSA-N 1 1 389.412 0.798 20 5 GCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452383578 1197055372 /nfs/dbraw/zinc/05/53/72/1197055372.db2.gz PAHHZNXVISFSCS-CQSZACIVSA-N 1 1 379.413 0.872 20 5 GCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452383576 1197055391 /nfs/dbraw/zinc/05/53/91/1197055391.db2.gz PAHHZNXVISFSCS-AWEZNQCLSA-N 1 1 379.413 0.872 20 5 GCBDMO C[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000520312734 1197105388 /nfs/dbraw/zinc/10/53/88/1197105388.db2.gz PFYUEPITBFHPLI-CYBMUJFWSA-N 1 1 382.442 0.379 20 5 GCBDMO 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/nfs/dbraw/zinc/60/40/20/1205604020.db2.gz ZLJMFCQVAWWWKK-APPDUMDISA-N 1 1 375.385 0.517 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000808270079 1205604535 /nfs/dbraw/zinc/60/45/35/1205604535.db2.gz RJFLPWSXSWUOIO-CYBMUJFWSA-N 1 1 379.417 0.086 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270797 1205604961 /nfs/dbraw/zinc/60/49/61/1205604961.db2.gz LAOVDLZQUFOHGD-KQQSKNTNSA-N 1 1 390.440 0.903 20 5 GCBDMO CN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000747588763 1205633481 /nfs/dbraw/zinc/63/34/81/1205633481.db2.gz PMDAZDLFDNCITQ-UHFFFAOYSA-N 1 1 391.472 0.799 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CC(F)(F)CO)CC1 ZINC001173694613 1205726599 /nfs/dbraw/zinc/72/65/99/1205726599.db2.gz XMYSJBBFUZAJJF-UHFFFAOYSA-N 1 1 379.385 0.965 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC001173694533 1205726738 /nfs/dbraw/zinc/72/67/38/1205726738.db2.gz UKZIKKNZMSVCDP-ZIAGYGMSSA-N 1 1 385.442 0.175 20 5 GCBDMO NC(=O)[C@@H]1CC[N@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173698754 1205727039 /nfs/dbraw/zinc/72/70/39/1205727039.db2.gz OCQLAWANMPUCCA-GFCCVEGCSA-N 1 1 382.442 0.555 20 5 GCBDMO COc1ccc(NC(=O)C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001175251070 1205736663 /nfs/dbraw/zinc/73/66/63/1205736663.db2.gz WIDPSZQGWXCRJT-IRXDYDNUSA-N 1 1 376.369 0.527 20 5 GCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001175933220 1205742533 /nfs/dbraw/zinc/74/25/33/1205742533.db2.gz PNTKMJBDNXNLKQ-HNNXBMFYSA-N 1 1 380.449 0.013 20 5 GCBDMO COc1ccc(NC(=O)CC[N@H+]2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC001176523622 1205748535 /nfs/dbraw/zinc/74/85/35/1205748535.db2.gz FTEUUWDGXRKZHF-SFHVURJKSA-N 1 1 394.428 0.311 20 5 GCBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CS(N)(=O)=O ZINC001176611778 1205749874 /nfs/dbraw/zinc/74/98/74/1205749874.db2.gz WWFWOSLDINFHBW-YPMHNXCESA-N 1 1 382.442 0.340 20 5 GCBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CS(N)(=O)=O ZINC001176611778 1205749875 /nfs/dbraw/zinc/74/98/75/1205749875.db2.gz WWFWOSLDINFHBW-YPMHNXCESA-N 1 1 382.442 0.340 20 5 GCBDMO Cc1cc(OCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)ccc1[N+](=O)[O-] ZINC001181412651 1205842775 /nfs/dbraw/zinc/84/27/75/1205842775.db2.gz AYBRNQBHRACDPN-KBXCAEBGSA-N 1 1 379.413 0.624 20 5 GCBDMO CN(CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001187023995 1205953706 /nfs/dbraw/zinc/95/37/06/1205953706.db2.gz BGMKKZUUAZRSSF-UHFFFAOYSA-N 1 1 386.474 0.740 20 5 GCBDMO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001187824130 1205969469 /nfs/dbraw/zinc/96/94/69/1205969469.db2.gz OMJDOGDCXXDXGR-HUUCEWRRSA-N 1 1 398.485 0.881 20 5 GCBDMO Cc1noc(C[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1[N+](=O)[O-] ZINC001190348152 1206033376 /nfs/dbraw/zinc/03/33/76/1206033376.db2.gz IQMQZTFGVPTDLW-UHFFFAOYSA-N 1 1 379.417 0.827 20 5 GCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164684752 719724266 /nfs/dbraw/zinc/72/42/66/719724266.db2.gz KHUDOHJLWRPXPD-UHFFFAOYSA-N 1 1 391.428 0.957 20 5 GCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164692575 719755926 /nfs/dbraw/zinc/75/59/26/719755926.db2.gz VGFOWYSBZLEKOP-UHFFFAOYSA-N 1 1 391.428 0.957 20 5 GCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826475117 948375013 /nfs/dbraw/zinc/37/50/13/948375013.db2.gz SUGAZFZUVCZYGY-UHFFFAOYSA-N 1 1 397.399 0.846 20 5 GCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826475117 948375027 /nfs/dbraw/zinc/37/50/27/948375027.db2.gz SUGAZFZUVCZYGY-UHFFFAOYSA-N 1 1 397.399 0.846 20 5 GCBDMO C[NH+]1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000286399183 530132488 /nfs/dbraw/zinc/13/24/88/530132488.db2.gz LFSHIERSZRHTNJ-UHFFFAOYSA-N 1 1 380.829 0.913 20 5 GCBDMO O=C(C[N@@H+](CCO)CCCO)Nc1ccc([N+](=O)[O-])cc1Br 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JLVOLEVEEKJCDB-UHFFFAOYSA-N 1 1 396.263 0.950 20 5 GCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)C[C@H](C)O1 ZINC000414134355 530589620 /nfs/dbraw/zinc/58/96/20/530589620.db2.gz CKAVFSGHGMGPJN-JFGNBEQYSA-N 1 1 390.234 0.989 20 5 GCBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)C[C@H](C)O1 ZINC000414134355 530589625 /nfs/dbraw/zinc/58/96/25/530589625.db2.gz CKAVFSGHGMGPJN-JFGNBEQYSA-N 1 1 390.234 0.989 20 5 GCBDMO CC[NH+]1CCN(C(=O)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272797529 531116807 /nfs/dbraw/zinc/11/68/07/531116807.db2.gz DDISDMWFGALKOX-UHFFFAOYSA-N 1 1 376.460 0.636 20 5 GCBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736570018 598498934 /nfs/dbraw/zinc/49/89/34/598498934.db2.gz MUIHDEXZGCWRBF-LBPRGKRZSA-N 1 1 375.437 0.855 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1-c1nn[nH]n1 ZINC000826499941 607581729 /nfs/dbraw/zinc/58/17/29/607581729.db2.gz FMVJOBWHIRMURL-UHFFFAOYSA-N 1 1 395.445 0.929 20 5 GCBDMO C[NH+](C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000825855834 607586995 /nfs/dbraw/zinc/58/69/95/607586995.db2.gz JVGXLUPROSAYSY-UHFFFAOYSA-N 1 1 381.418 0.490 20 5 GCBDMO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826022970 607608530 /nfs/dbraw/zinc/60/85/30/607608530.db2.gz UNJQYGLNOZZULM-JTQLQIEISA-N 1 1 381.418 0.347 20 5 GCBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826022970 607608532 /nfs/dbraw/zinc/60/85/32/607608532.db2.gz UNJQYGLNOZZULM-JTQLQIEISA-N 1 1 381.418 0.347 20 5 GCBDMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999190 607614585 /nfs/dbraw/zinc/61/45/85/607614585.db2.gz DLEXJPUMIQGEIJ-GHMZBOCLSA-N 1 1 393.429 0.632 20 5 GCBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999190 607614587 /nfs/dbraw/zinc/61/45/87/607614587.db2.gz DLEXJPUMIQGEIJ-GHMZBOCLSA-N 1 1 393.429 0.632 20 5 GCBDMO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824957638 607657287 /nfs/dbraw/zinc/65/72/87/607657287.db2.gz YHYZTZWQJMPMMI-JTQLQIEISA-N 1 1 381.418 0.395 20 5 GCBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824957638 607657288 /nfs/dbraw/zinc/65/72/88/607657288.db2.gz YHYZTZWQJMPMMI-JTQLQIEISA-N 1 1 381.418 0.395 20 5 GCBDMO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824957639 607657574 /nfs/dbraw/zinc/65/75/74/607657574.db2.gz YHYZTZWQJMPMMI-SNVBAGLBSA-N 1 1 381.418 0.395 20 5 GCBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000824957639 607657576 /nfs/dbraw/zinc/65/75/76/607657576.db2.gz YHYZTZWQJMPMMI-SNVBAGLBSA-N 1 1 381.418 0.395 20 5 GCBDMO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825854472 607662303 /nfs/dbraw/zinc/66/23/03/607662303.db2.gz BNTIPVVLSJSXHH-QWRGUYRKSA-N 1 1 395.445 0.926 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826389626 608436170 /nfs/dbraw/zinc/43/61/70/608436170.db2.gz CQKAPXVLHSATGO-ZDUSSCGKSA-N 1 1 387.404 0.088 20 5 GCBDMO CCOC(=O)c1cc(S(=O)(=O)NCC(F)(F)C[NH3+])cc([N+](=O)[O-])c1C ZINC000262495363 638522831 /nfs/dbraw/zinc/52/28/31/638522831.db2.gz ZEVKXIDPDYKUPU-UHFFFAOYSA-N 1 1 381.357 0.952 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000762556810 640610115 /nfs/dbraw/zinc/61/01/15/640610115.db2.gz WEGJSWMXWSLABI-LBPRGKRZSA-N 1 1 394.247 0.702 20 5 GCBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)ccc1Br ZINC000858628162 642963072 /nfs/dbraw/zinc/96/30/72/642963072.db2.gz KSHUEIMDYGQCIF-MRVPVSSYSA-N 1 1 380.220 0.624 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718770 1192397390 /nfs/dbraw/zinc/39/73/90/1192397390.db2.gz XMHZTODFECCOFE-QZTJIDSGSA-N 1 1 376.413 0.806 20 5 GCBDMO C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000512142037 1192472286 /nfs/dbraw/zinc/47/22/86/1192472286.db2.gz GJHXVXSGJZJWBC-ZDUSSCGKSA-N 1 1 396.469 0.982 20 5 GCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274516477 1184084800 /nfs/dbraw/zinc/08/48/00/1184084800.db2.gz MPUVEQGYQIFGNZ-UHFFFAOYSA-N 1 1 399.473 0.609 20 5 GCBDMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274566565 1184102103 /nfs/dbraw/zinc/10/21/03/1184102103.db2.gz QEJWJEMWCSSQAD-QGZVFWFLSA-N 1 1 392.456 0.938 20 5 GCBDMO C[N@@H+](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000579722158 1184106654 /nfs/dbraw/zinc/10/66/54/1184106654.db2.gz FOVHGXQHIDGLPQ-ZDUSSCGKSA-N 1 1 390.469 1.503 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000610209724 1184279568 /nfs/dbraw/zinc/27/95/68/1184279568.db2.gz XYFHJBQWRADENG-STQMWFEESA-N 1 1 384.458 0.814 20 5 GCBDMO C[NH+](C)CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000274761174 1184281789 /nfs/dbraw/zinc/28/17/89/1184281789.db2.gz INAYVZZKASDAPI-ZDUSSCGKSA-N 1 1 385.442 0.881 20 5 GCBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000275039477 1184470211 /nfs/dbraw/zinc/47/02/11/1184470211.db2.gz XUPOFDJKSLLAPL-GFCCVEGCSA-N 1 1 377.357 0.539 20 5 GCBDMO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000609674740 1184476005 /nfs/dbraw/zinc/47/60/05/1184476005.db2.gz NHRHMNRCOGQWRV-CYBMUJFWSA-N 1 1 384.458 0.769 20 5 GCBDMO C[C@H](O)C[NH+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000275119920 1184524428 /nfs/dbraw/zinc/52/44/28/1184524428.db2.gz GWOSYTSLPPKERI-NSHDSACASA-N 1 1 384.820 0.503 20 5 GCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000275427129 1184664012 /nfs/dbraw/zinc/66/40/12/1184664012.db2.gz QVQUCDSJSJICPQ-UHFFFAOYSA-N 1 1 390.418 0.366 20 5 GCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000430422462 1184712162 /nfs/dbraw/zinc/71/21/62/1184712162.db2.gz DNWSCZAXSADQFB-NWDGAFQWSA-N 1 1 396.469 0.699 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000430422462 1184712166 /nfs/dbraw/zinc/71/21/66/1184712166.db2.gz DNWSCZAXSADQFB-NWDGAFQWSA-N 1 1 396.469 0.699 20 5 GCBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000275647851 1184856781 /nfs/dbraw/zinc/85/67/81/1184856781.db2.gz LFARNLFTYLFQMD-NSHDSACASA-N 1 1 387.414 0.365 20 5 GCBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000275647851 1184856788 /nfs/dbraw/zinc/85/67/88/1184856788.db2.gz LFARNLFTYLFQMD-NSHDSACASA-N 1 1 387.414 0.365 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC001670428751 1184906078 /nfs/dbraw/zinc/90/60/78/1184906078.db2.gz ICEFHOGRXILLQW-XYZKALLWSA-N 1 1 378.429 0.914 20 5 GCBDMO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000572854976 1185112507 /nfs/dbraw/zinc/11/25/07/1185112507.db2.gz SKKYEKUEIAAEAK-UHFFFAOYSA-N 1 1 378.433 0.635 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000610428602 1185172871 /nfs/dbraw/zinc/17/28/71/1185172871.db2.gz IARDOXSGGPCSIG-HNNXBMFYSA-N 1 1 395.508 0.971 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000610428602 1185172872 /nfs/dbraw/zinc/17/28/72/1185172872.db2.gz IARDOXSGGPCSIG-HNNXBMFYSA-N 1 1 395.508 0.971 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000610428602 1185172874 /nfs/dbraw/zinc/17/28/74/1185172874.db2.gz IARDOXSGGPCSIG-HNNXBMFYSA-N 1 1 395.508 0.971 20 5 GCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000261633492 1185219024 /nfs/dbraw/zinc/21/90/24/1185219024.db2.gz BKGPXFIYUJAJFL-HNNXBMFYSA-N 1 1 382.384 0.696 20 5 GCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000261697133 1185235132 /nfs/dbraw/zinc/23/51/32/1185235132.db2.gz JCALNJZEEDEXCX-HNNXBMFYSA-N 1 1 382.384 0.696 20 5 GCBDMO NS(=O)(=O)c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489232 1185554315 /nfs/dbraw/zinc/55/43/15/1185554315.db2.gz RCMAOEFRGCRNEJ-ZDUSSCGKSA-N 1 1 384.458 0.933 20 5 GCBDMO C[NH+]1CCN(C(=O)CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000276146297 1185608739 /nfs/dbraw/zinc/60/87/39/1185608739.db2.gz PJLIJOKUVNPHJO-UHFFFAOYSA-N 1 1 391.428 0.532 20 5 GCBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)CO ZINC000276244492 1185706356 /nfs/dbraw/zinc/70/63/56/1185706356.db2.gz VDUSVGXQMCVCAL-LSDHHAIUSA-N 1 1 380.445 0.307 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276773179 1186041105 /nfs/dbraw/zinc/04/11/05/1186041105.db2.gz YPKNKADCBCZFPC-ZIAGYGMSSA-N 1 1 378.429 0.547 20 5 GCBDMO Cc1ccc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000276906447 1186142744 /nfs/dbraw/zinc/14/27/44/1186142744.db2.gz WLMDLKXYJODOIW-ZDUSSCGKSA-N 1 1 384.458 0.830 20 5 GCBDMO Cc1ccc(C)c(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000276906447 1186142750 /nfs/dbraw/zinc/14/27/50/1186142750.db2.gz WLMDLKXYJODOIW-ZDUSSCGKSA-N 1 1 384.458 0.830 20 5 GCBDMO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000276979951 1186192592 /nfs/dbraw/zinc/19/25/92/1186192592.db2.gz ZFJHIONHALEBOI-NSHDSACASA-N 1 1 378.385 0.696 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000277007991 1186227833 /nfs/dbraw/zinc/22/78/33/1186227833.db2.gz DQQBNWYUEFDKIP-CYBMUJFWSA-N 1 1 385.442 0.794 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000610900622 1186254017 /nfs/dbraw/zinc/25/40/17/1186254017.db2.gz CHKLTDFLOOTRMU-QMTHXVAHSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000610900622 1186254020 /nfs/dbraw/zinc/25/40/20/1186254020.db2.gz CHKLTDFLOOTRMU-QMTHXVAHSA-N 1 1 376.369 0.026 20 5 GCBDMO COc1cc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000262499407 1186302720 /nfs/dbraw/zinc/30/27/20/1186302720.db2.gz HWMMEWWXWJLVDX-GFCCVEGCSA-N 1 1 398.441 0.188 20 5 GCBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000262556632 1186305137 /nfs/dbraw/zinc/30/51/37/1186305137.db2.gz WTGSAZOCRJMYIN-ZDUSSCGKSA-N 1 1 382.442 0.488 20 5 GCBDMO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262545919 1186305343 /nfs/dbraw/zinc/30/53/43/1186305343.db2.gz SQYWSGNDNALVTD-HNNXBMFYSA-N 1 1 399.411 0.212 20 5 GCBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000262550588 1186305532 /nfs/dbraw/zinc/30/55/32/1186305532.db2.gz UUMBLKWKPYZACV-CYBMUJFWSA-N 1 1 382.442 0.488 20 5 GCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1C ZINC000563153142 1186312834 /nfs/dbraw/zinc/31/28/34/1186312834.db2.gz IWOQRQACBYMLDA-ZIAGYGMSSA-N 1 1 390.440 0.393 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1C ZINC000563153142 1186312838 /nfs/dbraw/zinc/31/28/38/1186312838.db2.gz IWOQRQACBYMLDA-ZIAGYGMSSA-N 1 1 390.440 0.393 20 5 GCBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157648100 1186367787 /nfs/dbraw/zinc/36/77/87/1186367787.db2.gz CDCWELHUIKTWCS-CYBMUJFWSA-N 1 1 378.393 0.602 20 5 GCBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157648100 1186367792 /nfs/dbraw/zinc/36/77/92/1186367792.db2.gz CDCWELHUIKTWCS-CYBMUJFWSA-N 1 1 378.393 0.602 20 5 GCBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157648100 1186367795 /nfs/dbraw/zinc/36/77/95/1186367795.db2.gz CDCWELHUIKTWCS-CYBMUJFWSA-N 1 1 378.393 0.602 20 5 GCBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157648100 1186367800 /nfs/dbraw/zinc/36/78/00/1186367800.db2.gz CDCWELHUIKTWCS-CYBMUJFWSA-N 1 1 378.393 0.602 20 5 GCBDMO CN1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+](C)CC1 ZINC000888986300 1186809074 /nfs/dbraw/zinc/80/90/74/1186809074.db2.gz ADWXTHJAWYHFJD-QGZVFWFLSA-N 1 1 375.429 0.794 20 5 GCBDMO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000176677488 1186828122 /nfs/dbraw/zinc/82/81/22/1186828122.db2.gz BLKJEEAMVKZPBC-AWEZNQCLSA-N 1 1 377.445 0.324 20 5 GCBDMO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[N@H+](C)CC1 ZINC000888988970 1186866789 /nfs/dbraw/zinc/86/67/89/1186866789.db2.gz WUFOXZDQLRSGAK-UHFFFAOYSA-N 1 1 391.472 0.751 20 5 GCBDMO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC[N@@H+](C)CC1 ZINC000888988970 1186866794 /nfs/dbraw/zinc/86/67/94/1186866794.db2.gz WUFOXZDQLRSGAK-UHFFFAOYSA-N 1 1 391.472 0.751 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278384155 1186923071 /nfs/dbraw/zinc/92/30/71/1186923071.db2.gz DBCYBMWBXYEGGL-OAHLLOKOSA-N 1 1 382.442 0.616 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278454673 1186950513 /nfs/dbraw/zinc/95/05/13/1186950513.db2.gz NRTBXSHNBOQBQC-OAHLLOKOSA-N 1 1 382.442 0.616 20 5 GCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052779308 1186993421 /nfs/dbraw/zinc/99/34/21/1186993421.db2.gz UZGFORXICAFGGF-UHFFFAOYSA-N 1 1 376.392 0.869 20 5 GCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278754058 1187049011 /nfs/dbraw/zinc/04/90/11/1187049011.db2.gz BCBHORBQPHFYDO-HOTGVXAUSA-N 1 1 399.469 0.834 20 5 GCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278754058 1187049015 /nfs/dbraw/zinc/04/90/15/1187049015.db2.gz BCBHORBQPHFYDO-HOTGVXAUSA-N 1 1 399.469 0.834 20 5 GCBDMO 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O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516084471 1195020663 /nfs/dbraw/zinc/02/06/63/1195020663.db2.gz CUYKONCDODNHPW-UHFFFAOYSA-N 1 1 384.352 0.263 20 5 GCBDMO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000517403054 1195177186 /nfs/dbraw/zinc/17/71/86/1195177186.db2.gz PGQPGAVTGFTGPE-LBPRGKRZSA-N 1 1 382.442 0.616 20 5 GCBDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC000119772694 1195430658 /nfs/dbraw/zinc/43/06/58/1195430658.db2.gz USHWUMUGEYCNMO-UHFFFAOYSA-N 1 1 392.460 0.735 20 5 GCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655949 1195560554 /nfs/dbraw/zinc/56/05/54/1195560554.db2.gz QSDWCLSDHKMBOO-SWLSCSKDSA-N 1 1 390.444 0.554 20 5 GCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655872 1195560681 /nfs/dbraw/zinc/56/06/81/1195560681.db2.gz QSDWCLSDHKMBOO-DOMZBBRYSA-N 1 1 390.444 0.554 20 5 GCBDMO 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O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCCCN1CCCC1=O ZINC000440492590 1196509414 /nfs/dbraw/zinc/50/94/14/1196509414.db2.gz VQDOAVMVBHQODR-CQSZACIVSA-N 1 1 390.444 0.605 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000523708807 1196552662 /nfs/dbraw/zinc/55/26/62/1196552662.db2.gz ZCZXQVZLIOQAHW-GFCCVEGCSA-N 1 1 397.457 0.409 20 5 GCBDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1OC ZINC000525056372 1196646812 /nfs/dbraw/zinc/64/68/12/1196646812.db2.gz SRCLAJJQWCJUFP-GFCCVEGCSA-N 1 1 394.428 0.929 20 5 GCBDMO Cn1cnc([N+](=O)[O-])c1N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000525127036 1196651161 /nfs/dbraw/zinc/65/11/61/1196651161.db2.gz GJUSHLNPAYUSPD-UHFFFAOYSA-N 1 1 380.449 0.383 20 5 GCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000525292326 1196665225 /nfs/dbraw/zinc/66/52/25/1196665225.db2.gz VXXTWTMZFWPNHG-GFCCVEGCSA-N 1 1 399.473 0.502 20 5 GCBDMO COC(=O)[C@H](O)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000441249554 1196714643 /nfs/dbraw/zinc/71/46/43/1196714643.db2.gz XLMNSDQPNFFDDE-HZPDHXFCSA-N 1 1 377.397 0.946 20 5 GCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509657291 1196736289 /nfs/dbraw/zinc/73/62/89/1196736289.db2.gz LRHAUWYAFJUENP-QWHCGFSZSA-N 1 1 384.458 0.766 20 5 GCBDMO C[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450787353 1196954101 /nfs/dbraw/zinc/95/41/01/1196954101.db2.gz FPWIUPSOLNQHNY-GASCZTMLSA-N 1 1 392.456 0.959 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450792583 1196954407 /nfs/dbraw/zinc/95/44/07/1196954407.db2.gz ODQVOIOMVYONLF-OKILXGFUSA-N 1 1 392.412 0.773 20 5 GCBDMO NC(=O)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccccc21 ZINC000451710707 1197011227 /nfs/dbraw/zinc/01/12/27/1197011227.db2.gz LROKWSWMFNNNPN-GDBMZVCRSA-N 1 1 389.412 0.853 20 5 GCBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452346702 1197052583 /nfs/dbraw/zinc/05/25/83/1197052583.db2.gz HCQXGKLJWWQAGT-MRXNPFEDSA-N 1 1 378.429 0.678 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452349886 1197053230 /nfs/dbraw/zinc/05/32/30/1197053230.db2.gz NLXQAZXBWRYNQP-CQSZACIVSA-N 1 1 392.412 0.283 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452383101 1197055721 /nfs/dbraw/zinc/05/57/21/1197055721.db2.gz OFFMNHPYASVXRM-UONOGXRCSA-N 1 1 382.465 0.790 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452802597 1197083306 /nfs/dbraw/zinc/08/33/06/1197083306.db2.gz VOLCIQYXYXEJCF-BBRMVZONSA-N 1 1 378.429 0.676 20 5 GCBDMO COc1cc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000531578263 1197085744 /nfs/dbraw/zinc/08/57/44/1197085744.db2.gz SSPCPJQYCRJXER-UHFFFAOYSA-N 1 1 386.474 0.909 20 5 GCBDMO CN(CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000453036253 1197095323 /nfs/dbraw/zinc/09/53/23/1197095323.db2.gz NSJROPIPAIMBKT-SWLSCSKDSA-N 1 1 382.442 0.378 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000453805015 1197138420 /nfs/dbraw/zinc/13/84/20/1197138420.db2.gz JCJCVGIFGNSSBC-CQSZACIVSA-N 1 1 394.428 0.895 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000453808223 1197139683 /nfs/dbraw/zinc/13/96/83/1197139683.db2.gz QXNCRSMYXHWGNJ-ZDUSSCGKSA-N 1 1 380.401 0.505 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000453808220 1197139806 /nfs/dbraw/zinc/13/98/06/1197139806.db2.gz QXNCRSMYXHWGNJ-CYBMUJFWSA-N 1 1 380.401 0.505 20 5 GCBDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000428517710 1197169506 /nfs/dbraw/zinc/16/95/06/1197169506.db2.gz WDYHULDYBXRSKS-QWHCGFSZSA-N 1 1 380.401 0.317 20 5 GCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536610237 1197378261 /nfs/dbraw/zinc/37/82/61/1197378261.db2.gz KBOWRGLEAOQAHQ-QWHCGFSZSA-N 1 1 384.458 0.766 20 5 GCBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536610235 1197378281 /nfs/dbraw/zinc/37/82/81/1197378281.db2.gz KBOWRGLEAOQAHQ-CHWSQXEVSA-N 1 1 384.458 0.766 20 5 GCBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428631120 1197558910 /nfs/dbraw/zinc/55/89/10/1197558910.db2.gz QEKFSVKSJXDFHM-GFCCVEGCSA-N 1 1 378.433 0.554 20 5 GCBDMO C[C@H](CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000265717412 1198984561 /nfs/dbraw/zinc/98/45/61/1198984561.db2.gz JWBPWAUCOSFRAH-GFCCVEGCSA-N 1 1 396.469 0.870 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000465991296 1199315025 /nfs/dbraw/zinc/31/50/25/1199315025.db2.gz ZANZIOLHEKXBRU-QWHCGFSZSA-N 1 1 399.473 0.655 20 5 GCBDMO 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O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472609369 1187897389 /nfs/dbraw/zinc/89/73/89/1187897389.db2.gz HCDMWBVNLDILNG-GFCCVEGCSA-N 1 1 380.376 0.853 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000415595605 1188116364 /nfs/dbraw/zinc/11/63/64/1188116364.db2.gz AFESGJYQKUYFNJ-AWEZNQCLSA-N 1 1 389.412 0.265 20 5 GCBDMO Cc1c(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000415602424 1188120448 /nfs/dbraw/zinc/12/04/48/1188120448.db2.gz KMFNVPLJMDIDJX-CYBMUJFWSA-N 1 1 389.412 0.265 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000378282755 1189461260 /nfs/dbraw/zinc/46/12/60/1189461260.db2.gz BFYUHAQMDOMQLA-CQSZACIVSA-N 1 1 392.412 0.409 20 5 GCBDMO CC[C@@H](C(=O)OC)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000511608073 1189628547 /nfs/dbraw/zinc/62/85/47/1189628547.db2.gz BEKLVFMDMUSMBJ-RDJZCZTQSA-N 1 1 381.429 0.904 20 5 GCBDMO Cc1cc(OCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000431947137 1189661692 /nfs/dbraw/zinc/66/16/92/1189661692.db2.gz WOZUIVHEMDPIJQ-CQSZACIVSA-N 1 1 378.429 0.986 20 5 GCBDMO O=C1CN([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906915 1189820790 /nfs/dbraw/zinc/82/07/90/1189820790.db2.gz RMZGLNQQLDMKGD-UKRRQHHQSA-N 1 1 386.412 0.685 20 5 GCBDMO C[N@H+]1CC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC001648928206 1189917256 /nfs/dbraw/zinc/91/72/56/1189917256.db2.gz JLGYTURUWZWYGD-XJKSGUPXSA-N 1 1 396.469 0.816 20 5 GCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000419364388 1193867624 /nfs/dbraw/zinc/86/76/24/1193867624.db2.gz WJJZEBPWZFLVDH-OAHLLOKOSA-N 1 1 392.412 0.985 20 5 GCBDMO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000513493733 1193956623 /nfs/dbraw/zinc/95/66/23/1193956623.db2.gz CPDPESVQBAYLSN-LBPRGKRZSA-N 1 1 385.442 0.696 20 5 GCBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280673248 1194012506 /nfs/dbraw/zinc/01/25/06/1194012506.db2.gz BSQQSIAJGZBOFN-CYBMUJFWSA-N 1 1 384.458 0.721 20 5 GCBDMO C[C@H]1CCC[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280673253 1194012734 /nfs/dbraw/zinc/01/27/34/1194012734.db2.gz BSQQSIAJGZBOFN-ZDUSSCGKSA-N 1 1 384.458 0.721 20 5 GCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419786123 1194108112 /nfs/dbraw/zinc/10/81/12/1194108112.db2.gz QQRUTIHNPHPXHO-UHFFFAOYSA-N 1 1 384.261 0.940 20 5 GCBDMO CS(=O)(=O)c1cccc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000420248745 1194215711 /nfs/dbraw/zinc/21/57/11/1194215711.db2.gz WPJRGOSVTITEAE-GFCCVEGCSA-N 1 1 382.442 0.399 20 5 GCBDMO C[C@@H]1C[N@H+](CCN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970369 1194279047 /nfs/dbraw/zinc/27/90/47/1194279047.db2.gz FLQXPGRYRWBEOH-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@@H]1C[N@@H+](CCN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970369 1194279051 /nfs/dbraw/zinc/27/90/51/1194279051.db2.gz FLQXPGRYRWBEOH-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@@H]1CN(CC[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970369 1194279053 /nfs/dbraw/zinc/27/90/53/1194279053.db2.gz FLQXPGRYRWBEOH-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO C[C@@H]1CN(CC[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000420970369 1194279055 /nfs/dbraw/zinc/27/90/55/1194279055.db2.gz FLQXPGRYRWBEOH-CQSZACIVSA-N 1 1 386.474 0.526 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+](C)C1 ZINC000413898607 1194357389 /nfs/dbraw/zinc/35/73/89/1194357389.db2.gz BPYICLFRIQMQTF-GFCCVEGCSA-N 1 1 381.385 0.545 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+](C)C1 ZINC000413922867 1194362917 /nfs/dbraw/zinc/36/29/17/1194362917.db2.gz QGCZEJAGYKEDJU-CQSZACIVSA-N 1 1 387.396 0.957 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+](C)C1 ZINC000413922867 1194362920 /nfs/dbraw/zinc/36/29/20/1194362920.db2.gz QGCZEJAGYKEDJU-CQSZACIVSA-N 1 1 387.396 0.957 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422124647 1194390315 /nfs/dbraw/zinc/39/03/15/1194390315.db2.gz ZGBOWEJAHYNLKV-CQSZACIVSA-N 1 1 390.444 0.191 20 5 GCBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000422312979 1194610792 /nfs/dbraw/zinc/61/07/92/1194610792.db2.gz CGRUBJHDCJRFRS-KGLIPLIRSA-N 1 1 390.444 0.237 20 5 GCBDMO C[C@@H]1[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[N@H+]1C ZINC000422425273 1194638115 /nfs/dbraw/zinc/63/81/15/1194638115.db2.gz MBNVJDGDZPUYLI-KGLIPLIRSA-N 1 1 390.444 0.237 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000503510458 1194680197 /nfs/dbraw/zinc/68/01/97/1194680197.db2.gz ZUBMCVTVIFWHAS-HNNXBMFYSA-N 1 1 398.485 0.644 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422984780 1194715403 /nfs/dbraw/zinc/71/54/03/1194715403.db2.gz ZDZZNAMZLHCFCJ-HOCLYGCPSA-N 1 1 384.458 0.230 20 5 GCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423965409 1194796473 /nfs/dbraw/zinc/79/64/73/1194796473.db2.gz VUJGMCQSSRNMNR-QGZVFWFLSA-N 1 1 398.423 0.962 20 5 GCBDMO C[N@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983664 1194881825 /nfs/dbraw/zinc/88/18/25/1194881825.db2.gz WCZMMRVWVRYBCH-DLBZAZTESA-N 1 1 378.429 0.325 20 5 GCBDMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983664 1194881827 /nfs/dbraw/zinc/88/18/27/1194881827.db2.gz WCZMMRVWVRYBCH-DLBZAZTESA-N 1 1 378.429 0.325 20 5 GCBDMO CN1CCN(c2cc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000514600378 1194886409 /nfs/dbraw/zinc/88/64/09/1194886409.db2.gz VYMDTRBLLLCCHR-INIZCTEOSA-N 1 1 375.433 0.089 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1=O ZINC000425308558 1194904680 /nfs/dbraw/zinc/90/46/80/1194904680.db2.gz CIYZXMFUXXMAEO-ZDUSSCGKSA-N 1 1 394.428 0.512 20 5 GCBDMO CCn1cc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000435804411 1194965886 /nfs/dbraw/zinc/96/58/86/1194965886.db2.gz QWQMIESTEMMOOR-UHFFFAOYSA-N 1 1 387.462 0.544 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[N@H+]1CCCOCC1 ZINC000438672612 1195235726 /nfs/dbraw/zinc/23/57/26/1195235726.db2.gz JJHGIVAWYSQFFY-UHFFFAOYSA-N 1 1 378.385 0.159 20 5 GCBDMO COCC[N@H+]1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000518077032 1195245970 /nfs/dbraw/zinc/24/59/70/1195245970.db2.gz JIPZUXDQXYILSU-GFCCVEGCSA-N 1 1 378.385 0.157 20 5 GCBDMO C[N@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000518358600 1195284905 /nfs/dbraw/zinc/28/49/05/1195284905.db2.gz YBVJTSMFELTIMR-ZDUSSCGKSA-N 1 1 382.442 0.379 20 5 GCBDMO NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000550166920 1195451901 /nfs/dbraw/zinc/45/19/01/1195451901.db2.gz NBFLDYDJEBJEIQ-GFCCVEGCSA-N 1 1 398.441 0.037 20 5 GCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655959 1195560623 /nfs/dbraw/zinc/56/06/23/1195560623.db2.gz QSDWCLSDHKMBOO-WFASDCNBSA-N 1 1 390.444 0.554 20 5 GCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506237 1195777514 /nfs/dbraw/zinc/77/75/14/1195777514.db2.gz OVZDXSMOBVGTGG-CVEARBPZSA-N 1 1 390.444 0.685 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000520560789 1195787438 /nfs/dbraw/zinc/78/74/38/1195787438.db2.gz MVNNRBPBCSCZJN-AWEZNQCLSA-N 1 1 392.460 0.893 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000442007162 1195941454 /nfs/dbraw/zinc/94/14/54/1195941454.db2.gz ACSQRRWWBWGBAO-KRWDZBQOSA-N 1 1 380.401 0.041 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000442062131 1195947524 /nfs/dbraw/zinc/94/75/24/1195947524.db2.gz VFJQSGUIKBSJDP-GFCCVEGCSA-N 1 1 394.428 0.846 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000442062131 1195947527 /nfs/dbraw/zinc/94/75/27/1195947527.db2.gz VFJQSGUIKBSJDP-GFCCVEGCSA-N 1 1 394.428 0.846 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000521506649 1195999280 /nfs/dbraw/zinc/99/92/80/1195999280.db2.gz IGJAKRTXOXLDAC-AWEZNQCLSA-N 1 1 380.449 0.585 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000521690708 1196010996 /nfs/dbraw/zinc/01/09/96/1196010996.db2.gz UEFJOEFILKYREF-GFCCVEGCSA-N 1 1 386.430 0.222 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000521690708 1196010999 /nfs/dbraw/zinc/01/09/99/1196010999.db2.gz UEFJOEFILKYREF-GFCCVEGCSA-N 1 1 386.430 0.222 20 5 GCBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000521734129 1196012962 /nfs/dbraw/zinc/01/29/62/1196012962.db2.gz HTDLDSJWTRWBEJ-ZDUSSCGKSA-N 1 1 399.473 0.514 20 5 GCBDMO CCOCC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000521979403 1196031210 /nfs/dbraw/zinc/03/12/10/1196031210.db2.gz SCAJJOUHKLHYEU-UHFFFAOYSA-N 1 1 392.412 0.501 20 5 GCBDMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000522139341 1196045956 /nfs/dbraw/zinc/04/59/56/1196045956.db2.gz JLOPDUWAXYBDGK-UHFFFAOYSA-N 1 1 387.400 0.603 20 5 GCBDMO C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247520 1196067646 /nfs/dbraw/zinc/06/76/46/1196067646.db2.gz VIBCPUHHZAXNOX-BLLLJJGKSA-N 1 1 385.490 0.891 20 5 GCBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000474359435 1196111542 /nfs/dbraw/zinc/11/15/42/1196111542.db2.gz DOLOMNVPLJTERF-AWEZNQCLSA-N 1 1 380.445 0.872 20 5 GCBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000896236456 1196137873 /nfs/dbraw/zinc/13/78/73/1196137873.db2.gz NWXNDNOOVCFDKN-UHFFFAOYSA-N 1 1 379.392 0.859 20 5 GCBDMO COc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000896242212 1196138976 /nfs/dbraw/zinc/13/89/76/1196138976.db2.gz PSVOXZPUUVQUKJ-UHFFFAOYSA-N 1 1 391.428 0.729 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000474784089 1196149521 /nfs/dbraw/zinc/14/95/21/1196149521.db2.gz OCNNGPVHPSJQBQ-UKRRQHHQSA-N 1 1 395.508 0.969 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000474784087 1196149782 /nfs/dbraw/zinc/14/97/82/1196149782.db2.gz OCNNGPVHPSJQBQ-DZGCQCFKSA-N 1 1 395.508 0.969 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000281033597 1196271988 /nfs/dbraw/zinc/27/19/88/1196271988.db2.gz UPAUJKQIAHIICI-UHFFFAOYSA-N 1 1 391.428 0.767 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281422500 1196294467 /nfs/dbraw/zinc/29/44/67/1196294467.db2.gz BDNKRGWPSRIUCC-UONOGXRCSA-N 1 1 378.429 0.628 20 5 GCBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000281638439 1196317250 /nfs/dbraw/zinc/31/72/50/1196317250.db2.gz RASPKIYSZKXGOQ-UHFFFAOYSA-N 1 1 378.429 0.952 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000439751652 1196371139 /nfs/dbraw/zinc/37/11/39/1196371139.db2.gz YUJXTHRCKITEAD-UHFFFAOYSA-N 1 1 380.401 0.771 20 5 GCBDMO COC(=O)COc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000475108985 1196380319 /nfs/dbraw/zinc/38/03/19/1196380319.db2.gz KUJJTGHANDBYIN-UHFFFAOYSA-N 1 1 392.368 0.321 20 5 GCBDMO COC(=O)COc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000475116857 1196381364 /nfs/dbraw/zinc/38/13/64/1196381364.db2.gz GVRBSYKMQKGGRP-UHFFFAOYSA-N 1 1 387.414 0.400 20 5 GCBDMO COC(=O)Cn1cc(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000440492476 1196509019 /nfs/dbraw/zinc/50/90/19/1196509019.db2.gz UEOXEMQBWIECFC-LBPRGKRZSA-N 1 1 375.389 0.483 20 5 GCBDMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440495373 1196510044 /nfs/dbraw/zinc/51/00/44/1196510044.db2.gz OWIBVDPCIOQBAM-GJZGRUSLSA-N 1 1 390.444 0.603 20 5 GCBDMO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440495373 1196510047 /nfs/dbraw/zinc/51/00/47/1196510047.db2.gz OWIBVDPCIOQBAM-GJZGRUSLSA-N 1 1 390.444 0.603 20 5 GCBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000524890476 1196636083 /nfs/dbraw/zinc/63/60/83/1196636083.db2.gz GNWBPFHNKPDXHI-AWEZNQCLSA-N 1 1 396.469 0.830 20 5 GCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000525801394 1196710459 /nfs/dbraw/zinc/71/04/59/1196710459.db2.gz SGYGVSPCKDSWDW-QWHCGFSZSA-N 1 1 379.413 0.822 20 5 GCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000525801394 1196710464 /nfs/dbraw/zinc/71/04/64/1196710464.db2.gz SGYGVSPCKDSWDW-QWHCGFSZSA-N 1 1 379.413 0.822 20 5 GCBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000525800895 1196710663 /nfs/dbraw/zinc/71/06/63/1196710663.db2.gz ILEVPTIYAUGJFP-CQSZACIVSA-N 1 1 379.413 0.824 20 5 GCBDMO C[C@H]1CC[N@@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804694 1196711077 /nfs/dbraw/zinc/71/10/77/1196711077.db2.gz KHKMYWHYRDUBFL-ZDUSSCGKSA-N 1 1 384.458 0.673 20 5 GCBDMO C[C@](O)(CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000447810202 1196751080 /nfs/dbraw/zinc/75/10/80/1196751080.db2.gz HFISITJSDBYXGD-IBGZPJMESA-N 1 1 394.472 0.922 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448932600 1196841096 /nfs/dbraw/zinc/84/10/96/1196841096.db2.gz KGGGEQAQMSPLCV-HNNXBMFYSA-N 1 1 386.412 0.850 20 5 GCBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452349882 1197053550 /nfs/dbraw/zinc/05/35/50/1197053550.db2.gz NLXQAZXBWRYNQP-AWEZNQCLSA-N 1 1 392.412 0.283 20 5 GCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452365164 1197056376 /nfs/dbraw/zinc/05/63/76/1197056376.db2.gz NLTKKNRPRNZYFS-AWEZNQCLSA-N 1 1 379.413 0.872 20 5 GCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452785780 1197081493 /nfs/dbraw/zinc/08/14/93/1197081493.db2.gz SPUCIIRIVZFLLT-INIZCTEOSA-N 1 1 393.444 0.357 20 5 GCBDMO COC(=O)COc1ccc(C[NH+]2CCC([C@H](O)C(=O)OC)CC2)cc1[N+](=O)[O-] ZINC000475699624 1197152935 /nfs/dbraw/zinc/15/29/35/1197152935.db2.gz LSYBUARFSAJWAW-KRWDZBQOSA-N 1 1 396.396 0.893 20 5 GCBDMO CCn1cc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000532858062 1197416786 /nfs/dbraw/zinc/41/67/86/1197416786.db2.gz BHMQRRKUHHBNCB-CHWSQXEVSA-N 1 1 389.478 0.979 20 5 GCBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000533070265 1197430309 /nfs/dbraw/zinc/43/03/09/1197430309.db2.gz QYKXYTJMYPKWDD-GFCCVEGCSA-N 1 1 384.414 0.646 20 5 GCBDMO CC1(C)CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614894886 1197484898 /nfs/dbraw/zinc/48/48/98/1197484898.db2.gz LLIOXFGXADUEBH-UHFFFAOYSA-N 1 1 396.469 0.701 20 5 GCBDMO CC1(C)CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614894886 1197484900 /nfs/dbraw/zinc/48/49/00/1197484900.db2.gz LLIOXFGXADUEBH-UHFFFAOYSA-N 1 1 396.469 0.701 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614957810 1197490921 /nfs/dbraw/zinc/49/09/21/1197490921.db2.gz QKYBVQHWOPULEU-UHFFFAOYSA-N 1 1 380.401 0.457 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614957810 1197490922 /nfs/dbraw/zinc/49/09/22/1197490922.db2.gz QKYBVQHWOPULEU-UHFFFAOYSA-N 1 1 380.401 0.457 20 5 GCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000273386835 1198966468 /nfs/dbraw/zinc/96/64/68/1198966468.db2.gz ULTATKZUIIUNQE-AWEZNQCLSA-N 1 1 387.458 0.690 20 5 GCBDMO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000265723526 1199020946 /nfs/dbraw/zinc/02/09/46/1199020946.db2.gz NCDCLNHMUHULQO-ZIAGYGMSSA-N 1 1 378.429 0.798 20 5 GCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000273488848 1199021407 /nfs/dbraw/zinc/02/14/07/1199021407.db2.gz NQCCZCYGCZWSAR-GFCCVEGCSA-N 1 1 399.473 0.645 20 5 GCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000273488853 1199022289 /nfs/dbraw/zinc/02/22/89/1199022289.db2.gz NQCCZCYGCZWSAR-LBPRGKRZSA-N 1 1 399.473 0.645 20 5 GCBDMO Cn1cc[nH+]c1N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265780574 1199184162 /nfs/dbraw/zinc/18/41/62/1199184162.db2.gz QTLPZVXJIIOEBY-UHFFFAOYSA-N 1 1 386.412 0.797 20 5 GCBDMO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174719598 1200402403 /nfs/dbraw/zinc/40/24/03/1200402403.db2.gz LFPGMNBWZADCKF-WBVHZDCISA-N 1 1 394.476 0.171 20 5 GCBDMO CNc1nccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539399 1200741323 /nfs/dbraw/zinc/74/13/23/1200741323.db2.gz QVJNPQZSBYJFOZ-HUUCEWRRSA-N 1 1 385.424 1.397 20 5 GCBDMO COC(=O)c1cc(C)nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000561184374 1200825738 /nfs/dbraw/zinc/82/57/38/1200825738.db2.gz LCUBKYJFOKZCRI-GFCCVEGCSA-N 1 1 379.417 1.084 20 5 GCBDMO C[C@@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000550106685 1201049583 /nfs/dbraw/zinc/04/95/83/1201049583.db2.gz HYDZZDVPNWAJDP-ZDUSSCGKSA-N 1 1 387.444 0.702 20 5 GCBDMO COc1ccc(NC(=O)CN(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000611522519 1201242300 /nfs/dbraw/zinc/24/23/00/1201242300.db2.gz GNVAQYWLXVWOQL-UHFFFAOYSA-N 1 1 379.417 0.248 20 5 GCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000611515908 1201243295 /nfs/dbraw/zinc/24/32/95/1201243295.db2.gz RKOZQTMETRPNGP-UHFFFAOYSA-N 1 1 392.456 0.960 20 5 GCBDMO O=C(NCCO)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000731480838 1201486396 /nfs/dbraw/zinc/48/63/96/1201486396.db2.gz ZQMFNNZVTFTQDS-INIZCTEOSA-N 1 1 376.413 0.521 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000731636248 1201490747 /nfs/dbraw/zinc/49/07/47/1201490747.db2.gz FSTXSDHSIPIBPU-UHFFFAOYSA-N 1 1 395.412 0.710 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000731621066 1201491100 /nfs/dbraw/zinc/49/11/00/1201491100.db2.gz CNEKIDCIEKCIPP-ZIAGYGMSSA-N 1 1 393.396 0.774 20 5 GCBDMO COCC[N@H+]1CC[C@H](NC(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)C1 ZINC000731640226 1201494062 /nfs/dbraw/zinc/49/40/62/1201494062.db2.gz XGWJWENUXNIMKI-ZDUSSCGKSA-N 1 1 381.385 0.632 20 5 GCBDMO CCOCC[NH+]1CCN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CC1 ZINC000732121938 1201521770 /nfs/dbraw/zinc/52/17/70/1201521770.db2.gz SAOUIZXMERTIAP-UHFFFAOYSA-N 1 1 395.412 0.975 20 5 GCBDMO CN(CCCNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000282560921 1201612067 /nfs/dbraw/zinc/61/20/67/1201612067.db2.gz YMTDVGJVOIZPSL-UHFFFAOYSA-N 1 1 386.474 0.467 20 5 GCBDMO CN(CCCNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000282560921 1201612073 /nfs/dbraw/zinc/61/20/73/1201612073.db2.gz YMTDVGJVOIZPSL-UHFFFAOYSA-N 1 1 386.474 0.467 20 5 GCBDMO O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21)N1CCOCC1 ZINC001169023582 1201931338 /nfs/dbraw/zinc/93/13/38/1201931338.db2.gz PBWYYUFKQIEZND-ZKXLYKBJSA-N 1 1 381.473 0.875 20 5 GCBDMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C[C@@H]32)cn1 ZINC001169026761 1201931352 /nfs/dbraw/zinc/93/13/52/1201931352.db2.gz NVJOSJJBVCSXFR-VGAPYMQISA-N 1 1 391.472 0.932 20 5 GCBDMO O=C([C@H]1Cn2nccc2C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCOCC1 ZINC001169021276 1201931685 /nfs/dbraw/zinc/93/16/85/1201931685.db2.gz KFLOCBSVNMVUOW-OAGGEKHMSA-N 1 1 377.445 0.619 20 5 GCBDMO O=C([C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCOCC1 ZINC001169021276 1201931688 /nfs/dbraw/zinc/93/16/88/1201931688.db2.gz KFLOCBSVNMVUOW-OAGGEKHMSA-N 1 1 377.445 0.619 20 5 GCBDMO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+](C)C1CC1 ZINC000804430442 1205515563 /nfs/dbraw/zinc/51/55/63/1205515563.db2.gz PMADSYJNKKZEOL-AWEZNQCLSA-N 1 1 389.456 0.842 20 5 GCBDMO Cn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001171661695 1205708656 /nfs/dbraw/zinc/70/86/56/1205708656.db2.gz GSVKIVYTYHPCCB-KRWDZBQOSA-N 1 1 375.385 0.076 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001173695318 1205726556 /nfs/dbraw/zinc/72/65/56/1205726556.db2.gz CHJXBFXTFVYYIY-DOMZBBRYSA-N 1 1 385.442 0.033 20 5 GCBDMO O=C(CN1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001176776843 1205753330 /nfs/dbraw/zinc/75/33/30/1205753330.db2.gz BWORYKNIUBZHMK-YJBOKZPZSA-N 1 1 391.447 0.971 20 5 GCBDMO O=C(CN1CC[N@H+]2C[C@@H](F)C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001176776843 1205753333 /nfs/dbraw/zinc/75/33/33/1205753333.db2.gz BWORYKNIUBZHMK-YJBOKZPZSA-N 1 1 391.447 0.971 20 5 GCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001177879841 1205779634 /nfs/dbraw/zinc/77/96/34/1205779634.db2.gz RSBPZBATQXXRNJ-DZGCQCFKSA-N 1 1 396.469 0.958 20 5 GCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738127 720697641 /nfs/dbraw/zinc/69/76/41/720697641.db2.gz ILLFSYLOYDYGOP-CHWSQXEVSA-N 1 1 387.400 0.834 20 5 GCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738137 720698079 /nfs/dbraw/zinc/69/80/79/720698079.db2.gz ILLFSYLOYDYGOP-STQMWFEESA-N 1 1 387.400 0.834 20 5 GCBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001164872783 721262369 /nfs/dbraw/zinc/26/23/69/721262369.db2.gz FYBNKEBZFNJLPN-UHFFFAOYSA-N 1 1 393.444 0.235 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(Br)c1 ZINC000599105931 530159376 /nfs/dbraw/zinc/15/93/76/530159376.db2.gz GTGOAUNXRVIHTP-MRVPVSSYSA-N 1 1 380.220 0.624 20 5 GCBDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000364623768 530311149 /nfs/dbraw/zinc/31/11/49/530311149.db2.gz YUYGASFHECHGEY-CQSZACIVSA-N 1 1 375.451 0.164 20 5 GCBDMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000364623768 530311150 /nfs/dbraw/zinc/31/11/50/530311150.db2.gz YUYGASFHECHGEY-CQSZACIVSA-N 1 1 375.451 0.164 20 5 GCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000184342689 530499424 /nfs/dbraw/zinc/49/94/24/530499424.db2.gz AXKAMIXUEVPDFM-UHFFFAOYSA-N 1 1 396.263 0.950 20 5 GCBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1Cl 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/nfs/dbraw/zinc/64/49/05/607644905.db2.gz YMMDJWCULYBFGU-GHMZBOCLSA-N 1 1 395.445 0.878 20 5 GCBDMO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825860713 607673587 /nfs/dbraw/zinc/67/35/87/607673587.db2.gz VAFTZEWXODRWIJ-SNVBAGLBSA-N 1 1 381.418 0.490 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821575610 606706922 /nfs/dbraw/zinc/70/69/22/606706922.db2.gz IXDLYVKMPMLNNX-GFCCVEGCSA-N 1 1 389.420 0.525 20 5 GCBDMO C[N@H+]1CCO[C@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000821628312 606727193 /nfs/dbraw/zinc/72/71/93/606727193.db2.gz FXRLWRRRCSMRLI-CABCVRRESA-N 1 1 382.384 0.842 20 5 GCBDMO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821621731 606735164 /nfs/dbraw/zinc/73/51/64/606735164.db2.gz DMGCQDVVMXZHBV-UHFFFAOYSA-N 1 1 395.445 0.737 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000104732612 1192186666 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VVAUPQCNYRPWAU-UHFFFAOYSA-N 1 1 382.446 0.532 20 5 GCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000275212688 1184553470 /nfs/dbraw/zinc/55/34/70/1184553470.db2.gz JLLHUQCTEJJONR-IHRRRGAJSA-N 1 1 378.429 0.627 20 5 GCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000275212688 1184553473 /nfs/dbraw/zinc/55/34/73/1184553473.db2.gz JLLHUQCTEJJONR-IHRRRGAJSA-N 1 1 378.429 0.627 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610262142 1184622666 /nfs/dbraw/zinc/62/26/66/1184622666.db2.gz TZLKWIHTMORZNA-LBPRGKRZSA-N 1 1 383.430 0.093 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610262142 1184622671 /nfs/dbraw/zinc/62/26/71/1184622671.db2.gz TZLKWIHTMORZNA-LBPRGKRZSA-N 1 1 383.430 0.093 20 5 GCBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000579474378 1185103786 /nfs/dbraw/zinc/10/37/86/1185103786.db2.gz VWSWSZBFWCXITK-HNNXBMFYSA-N 1 1 396.469 0.265 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261810598 1185262177 /nfs/dbraw/zinc/26/21/77/1185262177.db2.gz WSFGETCLCBDNFG-IUODEOHRSA-N 1 1 386.412 0.620 20 5 GCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000119301298 1185314060 /nfs/dbraw/zinc/31/40/60/1185314060.db2.gz LILXPVWGAYTHHW-NVXWUHKLSA-N 1 1 388.428 0.726 20 5 GCBDMO CN(C)S(=O)(=O)c1ccc(NCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000477021271 1185539456 /nfs/dbraw/zinc/53/94/56/1185539456.db2.gz RHCWYBPDBSSSDQ-UHFFFAOYSA-N 1 1 385.490 0.895 20 5 GCBDMO C[C@@H]1C[N@H+](CCN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000276344158 1185748638 /nfs/dbraw/zinc/74/86/38/1185748638.db2.gz UUBKCEOERRRFCX-OAHLLOKOSA-N 1 1 398.485 0.622 20 5 GCBDMO C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000276344158 1185748640 /nfs/dbraw/zinc/74/86/40/1185748640.db2.gz UUBKCEOERRRFCX-OAHLLOKOSA-N 1 1 398.485 0.622 20 5 GCBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581553295 1185757183 /nfs/dbraw/zinc/75/71/83/1185757183.db2.gz JGVDMVBXJBDPJV-UHFFFAOYSA-N 1 1 376.417 0.935 20 5 GCBDMO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535710627 1186203513 /nfs/dbraw/zinc/20/35/13/1186203513.db2.gz UXAFSQSLPAMJCO-ZIAGYGMSSA-N 1 1 383.474 0.636 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610900822 1186253920 /nfs/dbraw/zinc/25/39/20/1186253920.db2.gz MGQRSUOTOVICCJ-SWLSCSKDSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900822 1186253924 /nfs/dbraw/zinc/25/39/24/1186253924.db2.gz MGQRSUOTOVICCJ-SWLSCSKDSA-N 1 1 379.417 0.229 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000610901013 1186255048 /nfs/dbraw/zinc/25/50/48/1186255048.db2.gz WMMRYYKCOZMDDY-ABAIWWIYSA-N 1 1 378.385 0.156 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000610901013 1186255052 /nfs/dbraw/zinc/25/50/52/1186255052.db2.gz WMMRYYKCOZMDDY-ABAIWWIYSA-N 1 1 378.385 0.156 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610900581 1186255217 /nfs/dbraw/zinc/25/52/17/1186255217.db2.gz BFGDXPAWQMRGSV-GWCFXTLKSA-N 1 1 384.820 0.813 20 5 GCBDMO C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610900581 1186255224 /nfs/dbraw/zinc/25/52/24/1186255224.db2.gz BFGDXPAWQMRGSV-GWCFXTLKSA-N 1 1 384.820 0.813 20 5 GCBDMO CC(C)c1[nH]nc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000610921998 1186260673 /nfs/dbraw/zinc/26/06/73/1186260673.db2.gz BAMKXJYGEVZWLU-GFCCVEGCSA-N 1 1 378.433 0.996 20 5 GCBDMO CC(C)c1n[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000610921998 1186260678 /nfs/dbraw/zinc/26/06/78/1186260678.db2.gz BAMKXJYGEVZWLU-GFCCVEGCSA-N 1 1 378.433 0.996 20 5 GCBDMO 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[NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000842769429 642348838 /nfs/dbraw/zinc/34/88/38/642348838.db2.gz NXEFGDANVWYMJP-UHFFFAOYSA-N 1 1 380.329 0.424 20 5 GCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000264879630 1192260420 /nfs/dbraw/zinc/26/04/20/1192260420.db2.gz SMIBRJXZZOMZEI-QGZVFWFLSA-N 1 1 376.461 0.672 20 5 GCBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000482049106 1192350235 /nfs/dbraw/zinc/35/02/35/1192350235.db2.gz MYMGEMLHXOMUCN-GFCCVEGCSA-N 1 1 382.442 0.661 20 5 GCBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000482049106 1192350240 /nfs/dbraw/zinc/35/02/40/1192350240.db2.gz MYMGEMLHXOMUCN-GFCCVEGCSA-N 1 1 382.442 0.661 20 5 GCBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2n(C)c1=O ZINC000585707410 1192393772 /nfs/dbraw/zinc/39/37/72/1192393772.db2.gz RVFAVSXQVVDIJH-ZDUSSCGKSA-N 1 1 375.429 0.944 20 5 GCBDMO 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COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000275950348 1185330940 /nfs/dbraw/zinc/33/09/40/1185330940.db2.gz QWXMJCRHMFWEMY-LBPRGKRZSA-N 1 1 394.428 0.846 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000275950348 1185330944 /nfs/dbraw/zinc/33/09/44/1185330944.db2.gz QWXMJCRHMFWEMY-LBPRGKRZSA-N 1 1 394.428 0.846 20 5 GCBDMO Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001707886305 1185403386 /nfs/dbraw/zinc/40/33/86/1185403386.db2.gz PIGXEAQIDDVPHR-QGZVFWFLSA-N 1 1 390.448 0.599 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276045467 1185518936 /nfs/dbraw/zinc/51/89/36/1185518936.db2.gz SVNBMWHSHODVOR-UHFFFAOYSA-N 1 1 393.444 0.638 20 5 GCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581184826 1185525979 /nfs/dbraw/zinc/52/59/79/1185525979.db2.gz XTPGKHWVSQOJGX-OAHLLOKOSA-N 1 1 390.444 0.191 20 5 GCBDMO 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CCN1CCC([N@@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000422014036 1194377911 /nfs/dbraw/zinc/37/79/11/1194377911.db2.gz FOXJUBNTKVFOHG-UHFFFAOYSA-N 1 1 391.472 0.775 20 5 GCBDMO CCN1CCC([N@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000422014036 1194377916 /nfs/dbraw/zinc/37/79/16/1194377916.db2.gz FOXJUBNTKVFOHG-UHFFFAOYSA-N 1 1 391.472 0.775 20 5 GCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422150830 1194400375 /nfs/dbraw/zinc/40/03/75/1194400375.db2.gz CCVWZDYEUKTFET-AWEZNQCLSA-N 1 1 399.473 0.609 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273703719 1194584643 /nfs/dbraw/zinc/58/46/43/1194584643.db2.gz OFSIRIPIRVNIJW-INIZCTEOSA-N 1 1 398.485 0.957 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273703719 1194584646 /nfs/dbraw/zinc/58/46/46/1194584646.db2.gz OFSIRIPIRVNIJW-INIZCTEOSA-N 1 1 398.485 0.957 20 5 GCBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422296292 1194607026 /nfs/dbraw/zinc/60/70/26/1194607026.db2.gz OMOCJFSJFVVSGN-AWEZNQCLSA-N 1 1 392.460 0.485 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422951198 1194711823 /nfs/dbraw/zinc/71/18/23/1194711823.db2.gz ZVQCHGLCRZHMPX-HZPDHXFCSA-N 1 1 384.458 0.230 20 5 GCBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423965408 1194796322 /nfs/dbraw/zinc/79/63/22/1194796322.db2.gz VUJGMCQSSRNMNR-KRWDZBQOSA-N 1 1 398.423 0.962 20 5 GCBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975710 1194880819 /nfs/dbraw/zinc/88/08/19/1194880819.db2.gz FVDUXUFPNPBSRV-KGLIPLIRSA-N 1 1 396.444 0.555 20 5 GCBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975710 1194880820 /nfs/dbraw/zinc/88/08/20/1194880820.db2.gz FVDUXUFPNPBSRV-KGLIPLIRSA-N 1 1 396.444 0.555 20 5 GCBDMO C[N@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983672 1194881513 /nfs/dbraw/zinc/88/15/13/1194881513.db2.gz WCZMMRVWVRYBCH-SJORKVTESA-N 1 1 378.429 0.325 20 5 GCBDMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434983672 1194881515 /nfs/dbraw/zinc/88/15/15/1194881515.db2.gz WCZMMRVWVRYBCH-SJORKVTESA-N 1 1 378.429 0.325 20 5 GCBDMO CN1CCN(c2cc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000514600379 1194886336 /nfs/dbraw/zinc/88/63/36/1194886336.db2.gz VYMDTRBLLLCCHR-MRXNPFEDSA-N 1 1 375.433 0.089 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1=O ZINC000425308481 1194907726 /nfs/dbraw/zinc/90/77/26/1194907726.db2.gz BZZBHFVSZMESQJ-AWEZNQCLSA-N 1 1 378.429 0.812 20 5 GCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)[C@@H]2C1 ZINC000425401485 1194953812 /nfs/dbraw/zinc/95/38/12/1194953812.db2.gz LRSNDJIHFRQZAE-DZGCQCFKSA-N 1 1 390.444 0.507 20 5 GCBDMO C[N@@H+](CCCN1CCCC1=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515411518 1194973360 /nfs/dbraw/zinc/97/33/60/1194973360.db2.gz YDVWNJPBDBDZHJ-UHFFFAOYSA-N 1 1 384.458 0.817 20 5 GCBDMO COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000436451657 1195006659 /nfs/dbraw/zinc/00/66/59/1195006659.db2.gz AXSDRWGZTQMPHE-OLZOCXBDSA-N 1 1 394.428 0.389 20 5 GCBDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000439937982 1195368653 /nfs/dbraw/zinc/36/86/53/1195368653.db2.gz CSPRMLTWUQDZOI-BXUZGUMPSA-N 1 1 383.430 0.493 20 5 GCBDMO Cc1[nH+]ccn1CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000550139832 1195447337 /nfs/dbraw/zinc/44/73/37/1195447337.db2.gz SOZUZYBGNYKWKZ-UHFFFAOYSA-N 1 1 381.414 0.585 20 5 GCBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000427460258 1195541088 /nfs/dbraw/zinc/54/10/88/1195541088.db2.gz VCVPTRCRMNNHRW-UHFFFAOYSA-N 1 1 390.404 0.034 20 5 GCBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000894882280 1195563112 /nfs/dbraw/zinc/56/31/12/1195563112.db2.gz UOWOIGJQROINRD-OKILXGFUSA-N 1 1 396.469 0.899 20 5 GCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506238 1195777605 /nfs/dbraw/zinc/77/76/05/1195777605.db2.gz OVZDXSMOBVGTGG-HOTGVXAUSA-N 1 1 390.444 0.685 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000441976042 1195935540 /nfs/dbraw/zinc/93/55/40/1195935540.db2.gz KPKLGZAMSFJQJU-GFCCVEGCSA-N 1 1 377.401 0.237 20 5 GCBDMO Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000442045964 1195948660 /nfs/dbraw/zinc/94/86/60/1195948660.db2.gz RAEWIMKEPDKUFN-KRWDZBQOSA-N 1 1 380.401 0.041 20 5 GCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)ncc1I ZINC001226770239 1196003338 /nfs/dbraw/zinc/00/33/38/1196003338.db2.gz CAUYBLWPBVHKSC-SSDOTTSWSA-O 1 1 382.178 0.149 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521676658 1196009834 /nfs/dbraw/zinc/00/98/34/1196009834.db2.gz CVRAKZGSYGDHQN-INIZCTEOSA-N 1 1 386.412 0.850 20 5 GCBDMO C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247522 1196067782 /nfs/dbraw/zinc/06/77/82/1196067782.db2.gz VIBCPUHHZAXNOX-MLGOLLRUSA-N 1 1 385.490 0.891 20 5 GCBDMO CCOc1cc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)c([N+](=O)[O-])cc1OC ZINC000025232622 1196075597 /nfs/dbraw/zinc/07/55/97/1196075597.db2.gz PYXWOYOPUONXHN-UHFFFAOYSA-N 1 1 394.428 0.942 20 5 GCBDMO CN(C)S(=O)(=O)CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000509623645 1196076859 /nfs/dbraw/zinc/07/68/59/1196076859.db2.gz FJPPRRYKDYXDSF-UHFFFAOYSA-N 1 1 396.473 0.875 20 5 GCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474587052 1196128718 /nfs/dbraw/zinc/12/87/18/1196128718.db2.gz WWIIYYAXEATXPR-UHFFFAOYSA-N 1 1 384.458 0.816 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896547971 1196159423 /nfs/dbraw/zinc/15/94/23/1196159423.db2.gz GUYNRHLCGPHTMV-RHSMWYFYSA-N 1 1 391.472 0.796 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896547973 1196159499 /nfs/dbraw/zinc/15/94/99/1196159499.db2.gz GUYNRHLCGPHTMV-YOEHRIQHSA-N 1 1 391.472 0.796 20 5 GCBDMO C[NH+](C)[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000280874408 1196214133 /nfs/dbraw/zinc/21/41/33/1196214133.db2.gz YNRZDZWQSFLTEU-CYBMUJFWSA-N 1 1 396.425 0.885 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000280948093 1196268298 /nfs/dbraw/zinc/26/82/98/1196268298.db2.gz XAAHDNPHHPMTQV-QRVBRYPASA-N 1 1 387.440 0.737 20 5 GCBDMO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000281191106 1196282913 /nfs/dbraw/zinc/28/29/13/1196282913.db2.gz KGZOAKKCRXLELX-VXGBXAGGSA-N 1 1 382.442 0.615 20 5 GCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281420366 1196294361 /nfs/dbraw/zinc/29/43/61/1196294361.db2.gz BDNKRGWPSRIUCC-KBPBESRZSA-N 1 1 378.429 0.628 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281498935 1196300695 /nfs/dbraw/zinc/30/06/95/1196300695.db2.gz ONZMMPWNUPPIPT-QWHCGFSZSA-N 1 1 394.428 0.389 20 5 GCBDMO C[N@H+]1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000281679374 1196322326 /nfs/dbraw/zinc/32/23/26/1196322326.db2.gz FABWYDLSUGXNDR-UHFFFAOYSA-N 1 1 377.445 0.467 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281929055 1196348321 /nfs/dbraw/zinc/34/83/21/1196348321.db2.gz JXHMHZYEKGTSKR-UHFFFAOYSA-N 1 1 377.445 0.984 20 5 GCBDMO COC(=O)CN1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000475315321 1196403273 /nfs/dbraw/zinc/40/32/73/1196403273.db2.gz KIILKHRCAOLWPN-UHFFFAOYSA-N 1 1 378.385 0.683 20 5 GCBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)cc2n(C)c1=O ZINC000897218057 1196406060 /nfs/dbraw/zinc/40/60/60/1196406060.db2.gz AOQUMBDWSKMYFQ-QWHCGFSZSA-N 1 1 375.429 0.821 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440508664 1196512777 /nfs/dbraw/zinc/51/27/77/1196512777.db2.gz CODKUZCCTZESDG-IBGZPJMESA-N 1 1 386.408 0.510 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000523708808 1196552593 /nfs/dbraw/zinc/55/25/93/1196552593.db2.gz ZCZXQVZLIOQAHW-LBPRGKRZSA-N 1 1 397.457 0.409 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000445201914 1196559986 /nfs/dbraw/zinc/55/99/86/1196559986.db2.gz ANYYCDAQGRTPKP-GFCCVEGCSA-N 1 1 394.428 0.846 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000445201914 1196559989 /nfs/dbraw/zinc/55/99/89/1196559989.db2.gz ANYYCDAQGRTPKP-GFCCVEGCSA-N 1 1 394.428 0.846 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525175044 1196655105 /nfs/dbraw/zinc/65/51/05/1196655105.db2.gz COQKZZJTMXMEGL-LBPRGKRZSA-N 1 1 385.446 0.211 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525175044 1196655107 /nfs/dbraw/zinc/65/51/07/1196655107.db2.gz COQKZZJTMXMEGL-LBPRGKRZSA-N 1 1 385.446 0.211 20 5 GCBDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194536 1196691992 /nfs/dbraw/zinc/69/19/92/1196691992.db2.gz ZCOUTBOSGBGVHJ-RISCZKNCSA-N 1 1 383.430 0.493 20 5 GCBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000429715568 1196692848 /nfs/dbraw/zinc/69/28/48/1196692848.db2.gz DSCLTSHYUVFPTP-UHFFFAOYSA-N 1 1 398.485 0.623 20 5 GCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509657289 1196736142 /nfs/dbraw/zinc/73/61/42/1196736142.db2.gz LRHAUWYAFJUENP-CHWSQXEVSA-N 1 1 384.458 0.766 20 5 GCBDMO C[NH+]1CCN(CCCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000527460205 1196786239 /nfs/dbraw/zinc/78/62/39/1196786239.db2.gz KDLWEXKMZBVJKW-UHFFFAOYSA-N 1 1 381.408 0.816 20 5 GCBDMO Cc1c(NC(=O)CC[NH+]2CCN(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000026256354 1196843257 /nfs/dbraw/zinc/84/32/57/1196843257.db2.gz MIHDZEDJTWCVME-UHFFFAOYSA-N 1 1 377.445 0.938 20 5 GCBDMO C[NH+]1CCN(C(=O)Cn2cc(N=c3[nH]c4ccc([N+](=O)[O-])cc4[nH]3)cn2)CC1 ZINC000450317572 1196924274 /nfs/dbraw/zinc/92/42/74/1196924274.db2.gz TXMLASXBNBGXSB-UHFFFAOYSA-N 1 1 384.400 0.607 20 5 GCBDMO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451331923 1196989031 /nfs/dbraw/zinc/98/90/31/1196989031.db2.gz GJMAOPCMPVVLMN-GOSISDBHSA-N 1 1 377.397 0.995 20 5 GCBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451331923 1196989032 /nfs/dbraw/zinc/98/90/32/1196989032.db2.gz GJMAOPCMPVVLMN-GOSISDBHSA-N 1 1 377.397 0.995 20 5 GCBDMO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451331925 1196989216 /nfs/dbraw/zinc/98/92/16/1196989216.db2.gz GJMAOPCMPVVLMN-SFHVURJKSA-N 1 1 377.397 0.995 20 5 GCBDMO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451331925 1196989217 /nfs/dbraw/zinc/98/92/17/1196989217.db2.gz GJMAOPCMPVVLMN-SFHVURJKSA-N 1 1 377.397 0.995 20 5 GCBDMO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347058 1197053405 /nfs/dbraw/zinc/05/34/05/1197053405.db2.gz HXGKQPOCKOXXOY-HNNXBMFYSA-N 1 1 378.429 0.596 20 5 GCBDMO COCC[N@@H+](C)CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531484769 1197079281 /nfs/dbraw/zinc/07/92/81/1197079281.db2.gz SRYZAYWCCXVCPJ-UHFFFAOYSA-N 1 1 380.449 0.790 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452793813 1197082211 /nfs/dbraw/zinc/08/22/11/1197082211.db2.gz HYVIXHRDQOTIPT-HIFRSBDPSA-N 1 1 378.429 0.676 20 5 GCBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102229475 1197149413 /nfs/dbraw/zinc/14/94/13/1197149413.db2.gz HBRMYKVDCCTWFU-UHFFFAOYSA-N 1 1 380.449 0.633 20 5 GCBDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026175088 1197196619 /nfs/dbraw/zinc/19/66/19/1197196619.db2.gz SIARRCSAVSEUOU-HUUCEWRRSA-N 1 1 387.458 0.738 20 5 GCBDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026175088 1197196621 /nfs/dbraw/zinc/19/66/21/1197196621.db2.gz SIARRCSAVSEUOU-HUUCEWRRSA-N 1 1 387.458 0.738 20 5 GCBDMO COc1ccc(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000415442562 1197240770 /nfs/dbraw/zinc/24/07/70/1197240770.db2.gz QEBIXIVMGUUGFV-UHFFFAOYSA-N 1 1 399.429 0.055 20 5 GCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536604994 1197375937 /nfs/dbraw/zinc/37/59/37/1197375937.db2.gz OPJVKXOVCLGIKX-QWHCGFSZSA-N 1 1 384.458 0.814 20 5 GCBDMO CCn1cc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000532858064 1197416611 /nfs/dbraw/zinc/41/66/11/1197416611.db2.gz BHMQRRKUHHBNCB-STQMWFEESA-N 1 1 389.478 0.979 20 5 GCBDMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378868 1197448136 /nfs/dbraw/zinc/44/81/36/1197448136.db2.gz TWMVHEVDTORYHA-JSGCOSHPSA-N 1 1 390.444 0.588 20 5 GCBDMO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378868 1197448138 /nfs/dbraw/zinc/44/81/38/1197448138.db2.gz TWMVHEVDTORYHA-JSGCOSHPSA-N 1 1 390.444 0.588 20 5 GCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396032 1198976339 /nfs/dbraw/zinc/97/63/39/1198976339.db2.gz VQPRSLIZXYXMKP-RDJZCZTQSA-N 1 1 392.456 0.573 20 5 GCBDMO CC(C)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000273463639 1199012243 /nfs/dbraw/zinc/01/22/43/1199012243.db2.gz IRJKUHOBZKGINR-AWEZNQCLSA-N 1 1 385.490 0.926 20 5 GCBDMO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000465736924 1199039146 /nfs/dbraw/zinc/03/91/46/1199039146.db2.gz LOJHGIBLAPUZQX-CHWSQXEVSA-N 1 1 399.473 0.655 20 5 GCBDMO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000465768087 1199059000 /nfs/dbraw/zinc/05/90/00/1199059000.db2.gz GVPIHYKAPPLNOD-QWHCGFSZSA-N 1 1 399.473 0.655 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000465768088 1199059566 /nfs/dbraw/zinc/05/95/66/1199059566.db2.gz GVPIHYKAPPLNOD-STQMWFEESA-N 1 1 399.473 0.655 20 5 GCBDMO C[NH+](C)Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC001626063681 1199153386 /nfs/dbraw/zinc/15/33/86/1199153386.db2.gz XVDRQOHMODODBP-UHFFFAOYSA-N 1 1 396.425 0.958 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000542995707 1199323789 /nfs/dbraw/zinc/32/37/89/1199323789.db2.gz XGJKFQCXPFDSFT-CYBMUJFWSA-N 1 1 392.412 0.723 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000265827841 1199514902 /nfs/dbraw/zinc/51/49/02/1199514902.db2.gz UBCGBGLUQKVSQI-ZDUSSCGKSA-N 1 1 394.428 0.418 20 5 GCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330601202 1199859098 /nfs/dbraw/zinc/85/90/98/1199859098.db2.gz GGEPYEUXTLEKFL-QWHCGFSZSA-N 1 1 384.458 0.814 20 5 GCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330787895 1199861439 /nfs/dbraw/zinc/86/14/39/1199861439.db2.gz XXCUHCQZAQAAGX-HNNXBMFYSA-N 1 1 382.442 0.522 20 5 GCBDMO COc1c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000331078634 1199865721 /nfs/dbraw/zinc/86/57/21/1199865721.db2.gz WRZISBIGQPADAB-OAHLLOKOSA-N 1 1 376.413 0.982 20 5 GCBDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173451058 1200338441 /nfs/dbraw/zinc/33/84/41/1200338441.db2.gz IPSWREYFZCFIDE-MRXNPFEDSA-N 1 1 379.392 0.930 20 5 GCBDMO O=C(c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000611103788 1201215458 /nfs/dbraw/zinc/21/54/58/1201215458.db2.gz SMKOYQUMWRNCKD-MRXNPFEDSA-N 1 1 390.440 0.978 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000611242566 1201225976 /nfs/dbraw/zinc/22/59/76/1201225976.db2.gz VZCRMZIRKDUHDD-HNNXBMFYSA-N 1 1 397.457 0.161 20 5 GCBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000611522688 1201241909 /nfs/dbraw/zinc/24/19/09/1201241909.db2.gz TUOKSDJONOXGDC-UHFFFAOYSA-N 1 1 383.836 0.893 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731607502 1201489897 /nfs/dbraw/zinc/48/98/97/1201489897.db2.gz KCMFJDFMAOVQCW-UHFFFAOYSA-N 1 1 378.385 0.113 20 5 GCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000731656002 1201493661 /nfs/dbraw/zinc/49/36/61/1201493661.db2.gz VVGFAMZUBZUIOF-UHFFFAOYSA-N 1 1 388.428 0.613 20 5 GCBDMO C[NH+]1CCN(C(=O)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000731998571 1201513036 /nfs/dbraw/zinc/51/30/36/1201513036.db2.gz XVHSLDPQADUAOC-UHFFFAOYSA-N 1 1 392.384 0.777 20 5 GCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000732149054 1201525560 /nfs/dbraw/zinc/52/55/60/1201525560.db2.gz BXFGSTIIBJGDME-OAHLLOKOSA-N 1 1 377.445 0.407 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000735855401 1201703981 /nfs/dbraw/zinc/70/39/81/1201703981.db2.gz BUOHNRVLFVFWQL-RDBSUJKOSA-N 1 1 380.449 0.807 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000744406461 1201842041 /nfs/dbraw/zinc/84/20/41/1201842041.db2.gz DFGIDOXWCRANIU-SMDDNHRTSA-N 1 1 377.361 0.642 20 5 GCBDMO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169030133 1201930099 /nfs/dbraw/zinc/93/00/99/1201930099.db2.gz WVFGPSNDXSGJQT-AALSBFMBSA-N 1 1 377.445 0.827 20 5 GCBDMO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169030138 1201930484 /nfs/dbraw/zinc/93/04/84/1201930484.db2.gz WVFGPSNDXSGJQT-UYJHQMFVSA-N 1 1 377.445 0.827 20 5 GCBDMO O=C(NC[C@H]1OC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@@H]21)c1cnccn1 ZINC001169018650 1201931026 /nfs/dbraw/zinc/93/10/26/1201931026.db2.gz BKUPRYISYJUTLX-RIUYPTKQSA-N 1 1 389.456 0.989 20 5 GCBDMO Cn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001169020445 1201931103 /nfs/dbraw/zinc/93/11/03/1201931103.db2.gz JAUCMGDSEWAJQB-IIHMKKKESA-N 1 1 377.445 0.827 20 5 GCBDMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@H+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@@H]32)cn1 ZINC001169026512 1201931355 /nfs/dbraw/zinc/93/13/55/1201931355.db2.gz XZPFBLKNKORCDO-XEIOYGOASA-N 1 1 391.472 0.932 20 5 GCBDMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021807 1201931399 /nfs/dbraw/zinc/93/13/99/1201931399.db2.gz QRZZFYFNINEBKY-QEJZJMRPSA-N 1 1 375.433 0.955 20 5 GCBDMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021807 1201931400 /nfs/dbraw/zinc/93/14/00/1201931400.db2.gz QRZZFYFNINEBKY-QEJZJMRPSA-N 1 1 375.433 0.955 20 5 GCBDMO O=C(C[C@@H]1COC[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21)N1CCOCC1 ZINC001169023576 1201931421 /nfs/dbraw/zinc/93/14/21/1201931421.db2.gz PBWYYUFKQIEZND-DZVNLGKHSA-N 1 1 381.473 0.875 20 5 GCBDMO O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21)c1ccnnc1 ZINC001169021280 1201931480 /nfs/dbraw/zinc/93/14/80/1201931480.db2.gz KJSFLOSJOBOYQG-NBZXXOOGSA-N 1 1 389.456 0.989 20 5 GCBDMO CN(C)c1cc[nH+]c(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000770444487 1202099129 /nfs/dbraw/zinc/09/91/29/1202099129.db2.gz UQSASQMRVHEPJA-UHFFFAOYSA-N 1 1 392.441 0.962 20 5 GCBDMO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000770730333 1202108428 /nfs/dbraw/zinc/10/84/28/1202108428.db2.gz XYAPLKKDLNBQLI-HWWQOWPSSA-N 1 1 394.403 0.922 20 5 GCBDMO C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000770730333 1202108429 /nfs/dbraw/zinc/10/84/29/1202108429.db2.gz XYAPLKKDLNBQLI-HWWQOWPSSA-N 1 1 394.403 0.922 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000771759115 1202160860 /nfs/dbraw/zinc/16/08/60/1202160860.db2.gz KXYQQGUJOVUPPB-BZNIZROVSA-N 1 1 381.385 0.630 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000771759115 1202160862 /nfs/dbraw/zinc/16/08/62/1202160862.db2.gz KXYQQGUJOVUPPB-BZNIZROVSA-N 1 1 381.385 0.630 20 5 GCBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@H+]1C ZINC000806039912 1205549348 /nfs/dbraw/zinc/54/93/48/1205549348.db2.gz HUVPUEKCUUJGOK-CABCVRRESA-N 1 1 389.456 0.842 20 5 GCBDMO CCOC(=O)C1=C(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001170514121 1205569362 /nfs/dbraw/zinc/56/93/62/1205569362.db2.gz RWSGQQWMLDXZCD-UHFFFAOYSA-N 1 1 378.389 0.444 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270800 1205604776 /nfs/dbraw/zinc/60/47/76/1205604776.db2.gz LAOVDLZQUFOHGD-SBSDFTTDSA-N 1 1 390.440 0.903 20 5 GCBDMO O=C(CN1CCCS1(=O)=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170868 1205673700 /nfs/dbraw/zinc/67/37/00/1205673700.db2.gz MDARPEFFRZRLIM-HNNXBMFYSA-N 1 1 383.426 0.748 20 5 GCBDMO O=C(CN1CCCS1(=O)=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170868 1205673701 /nfs/dbraw/zinc/67/37/01/1205673701.db2.gz MDARPEFFRZRLIM-HNNXBMFYSA-N 1 1 383.426 0.748 20 5 GCBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001134144499 1205688254 /nfs/dbraw/zinc/68/82/54/1205688254.db2.gz PJGSYZAPRMUXSN-UKRRQHHQSA-N 1 1 382.442 0.568 20 5 GCBDMO N=c1cc(C[NH3+])ncn1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691079 1205726389 /nfs/dbraw/zinc/72/63/89/1205726389.db2.gz HQHAEWBLQJNEML-UHFFFAOYSA-N 1 1 392.441 0.755 20 5 GCBDMO C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC001177633367 1205773193 /nfs/dbraw/zinc/77/31/93/1205773193.db2.gz CBMISKFHRKRIKK-AWEZNQCLSA-N 1 1 391.428 0.251 20 5 GCBDMO C[NH+]1CCN(C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC001187362134 1205961160 /nfs/dbraw/zinc/96/11/60/1205961160.db2.gz UUOHUAKMROHYBJ-UHFFFAOYSA-N 1 1 383.474 0.458 20 5 GCBDMO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001187824129 1205969491 /nfs/dbraw/zinc/96/94/91/1205969491.db2.gz OMJDOGDCXXDXGR-GJZGRUSLSA-N 1 1 398.485 0.881 20 5 GCBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164720324 720214899 /nfs/dbraw/zinc/21/48/99/720214899.db2.gz YKDKECKUJAXMJA-GOSISDBHSA-N 1 1 377.445 0.963 20 5 GCBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C)C2)C1 ZINC001164720324 720214910 /nfs/dbraw/zinc/21/49/10/720214910.db2.gz YKDKECKUJAXMJA-GOSISDBHSA-N 1 1 377.445 0.963 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164848637 720846267 /nfs/dbraw/zinc/84/62/67/720846267.db2.gz APOUHMIIRXMMLR-CZUORRHYSA-N 1 1 394.428 0.950 20 5 GCBDMO Cn1cc(CN2CC[C@H]3CN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C[C@H]3C2)cn1 ZINC001164761943 721249120 /nfs/dbraw/zinc/24/91/20/721249120.db2.gz KRMSSKPTKQFGEO-GOEBONIOSA-N 1 1 398.471 0.763 20 5 GCBDMO COc1ncnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1[N+](=O)[O-] ZINC001165011916 721737236 /nfs/dbraw/zinc/73/72/36/721737236.db2.gz XGMZURKJPZSUQL-UHFFFAOYSA-N 1 1 378.433 0.916 20 5 GCBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc([N+](=O)[O-])cc2N)CC3)CC1 ZINC001165002336 722237096 /nfs/dbraw/zinc/23/70/96/722237096.db2.gz UUCZYLYPAXQTDB-UHFFFAOYSA-N 1 1 384.444 0.719 20 5 GCBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934297 947374168 /nfs/dbraw/zinc/37/41/68/947374168.db2.gz LYBUXLKROZLICK-ZDUSSCGKSA-N 1 1 387.404 0.678 20 5 GCBDMO NC(=O)[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000011173876 530130052 /nfs/dbraw/zinc/13/00/52/530130052.db2.gz HEGFSTWRCQYLJJ-MRVPVSSYSA-N 1 1 382.320 0.152 20 5 GCBDMO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599108943 530160127 /nfs/dbraw/zinc/16/01/27/530160127.db2.gz WTDCPVGWABXIFS-VIFPVBQESA-N 1 1 394.247 0.932 20 5 GCBDMO CCn1cc(S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])n1 ZINC000588903652 530656800 /nfs/dbraw/zinc/65/68/00/530656800.db2.gz VJHJFJMDWIVETF-UHFFFAOYSA-N 1 1 376.483 0.315 20 5 GCBDMO CCn1cc(S(=O)(=O)N(C)CCCN(C)CC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000588903652 530656802 /nfs/dbraw/zinc/65/68/02/530656802.db2.gz VJHJFJMDWIVETF-UHFFFAOYSA-N 1 1 376.483 0.315 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545865073 530686249 /nfs/dbraw/zinc/68/62/49/530686249.db2.gz BLHCVHSDCLESDO-LBPRGKRZSA-N 1 1 394.247 0.702 20 5 GCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592388724 530766206 /nfs/dbraw/zinc/76/62/06/530766206.db2.gz LDSGEGVKBBOQSR-NSHDSACASA-N 1 1 377.806 0.774 20 5 GCBDMO Cc1sc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000467398308 530915656 /nfs/dbraw/zinc/91/56/56/530915656.db2.gz HERKKFVKRIKZHM-JTQLQIEISA-N 1 1 376.460 0.583 20 5 GCBDMO Cc1sc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000467398308 530915659 /nfs/dbraw/zinc/91/56/59/530915659.db2.gz HERKKFVKRIKZHM-JTQLQIEISA-N 1 1 376.460 0.583 20 5 GCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416451084 531030774 /nfs/dbraw/zinc/03/07/74/531030774.db2.gz ATDREOLIRQTUTL-GFCCVEGCSA-N 1 1 383.348 0.959 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736745314 598500761 /nfs/dbraw/zinc/50/07/61/598500761.db2.gz GALLZAIQQLJZMC-CYBMUJFWSA-N 1 1 389.420 0.525 20 5 GCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736745317 598500801 /nfs/dbraw/zinc/50/08/01/598500801.db2.gz GALLZAIQQLJZMC-ZDUSSCGKSA-N 1 1 389.420 0.525 20 5 GCBDMO O=c1ccccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000738378873 598673461 /nfs/dbraw/zinc/67/34/61/598673461.db2.gz APBZUBFBZBVIRP-UHFFFAOYSA-N 1 1 396.411 0.759 20 5 GCBDMO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C[NH+]1CCCC1 ZINC000824427093 607591321 /nfs/dbraw/zinc/59/13/21/607591321.db2.gz LFPCHMFCFLBPNW-NSHDSACASA-N 1 1 395.445 0.785 20 5 GCBDMO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825854469 607662723 /nfs/dbraw/zinc/66/27/23/607662723.db2.gz BNTIPVVLSJSXHH-GHMZBOCLSA-N 1 1 395.445 0.926 20 5 GCBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821625980 606709951 /nfs/dbraw/zinc/70/99/51/606709951.db2.gz ZRINAYFXIDSTJM-ZDUSSCGKSA-N 1 1 387.448 0.776 20 5 GCBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826502091 608061597 /nfs/dbraw/zinc/06/15/97/608061597.db2.gz UNDBKWFWOWEQCA-UHFFFAOYSA-N 1 1 397.399 0.154 20 5 GCBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000899731686 639271240 /nfs/dbraw/zinc/27/12/40/639271240.db2.gz GFIQSPGKVVHUGH-UHFFFAOYSA-N 1 1 393.181 0.853 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCS(=O)(=O)CC2CC2)cc1 ZINC000819173093 641931897 /nfs/dbraw/zinc/93/18/97/641931897.db2.gz JQYHNBDZPAGDAA-UHFFFAOYSA-N 1 1 376.456 0.783 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1Br ZINC000858628182 642963017 /nfs/dbraw/zinc/96/30/17/642963017.db2.gz KWUCLZHPGAKPLQ-QMMMGPOBSA-N 1 1 380.220 0.624 20 5 GCBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000164471192 1192165332 /nfs/dbraw/zinc/16/53/32/1192165332.db2.gz RIFPCGYYGXPPFP-ZIAGYGMSSA-N 1 1 378.433 0.240 20 5 GCBDMO CN1C(=O)N[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000585797717 1192414801 /nfs/dbraw/zinc/41/48/01/1192414801.db2.gz YWTHZDAFRPARHH-OLZOCXBDSA-N 1 1 375.385 0.991 20 5 GCBDMO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000279187365 1192480715 /nfs/dbraw/zinc/48/07/15/1192480715.db2.gz GHWCORSFUHZJBS-BETUJISGSA-N 1 1 390.396 0.648 20 5 GCBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000279249401 1192494506 /nfs/dbraw/zinc/49/45/06/1192494506.db2.gz GXSRACRXYAQZDN-UHFFFAOYSA-N 1 1 378.429 0.894 20 5 GCBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000279249401 1192494510 /nfs/dbraw/zinc/49/45/10/1192494510.db2.gz GXSRACRXYAQZDN-UHFFFAOYSA-N 1 1 378.429 0.894 20 5 GCBDMO COc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000279681960 1192578231 /nfs/dbraw/zinc/57/82/31/1192578231.db2.gz FKIJYWLLBMAHFW-CYBMUJFWSA-N 1 1 385.442 0.794 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000265193080 1192697389 /nfs/dbraw/zinc/69/73/89/1192697389.db2.gz FNAXPNHAEZIINQ-UHFFFAOYSA-N 1 1 394.428 0.847 20 5 GCBDMO C[N@H+]1C[C@H]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893939968 1192880219 /nfs/dbraw/zinc/88/02/19/1192880219.db2.gz LHCFZRRTINPVDZ-CXAGYDPISA-N 1 1 396.469 0.756 20 5 GCBDMO COc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000274559088 1184099357 /nfs/dbraw/zinc/09/93/57/1184099357.db2.gz WSLSQHHSPJRVTC-ZDUSSCGKSA-N 1 1 393.444 0.684 20 5 GCBDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000154251468 1184349401 /nfs/dbraw/zinc/34/94/01/1184349401.db2.gz LGPCYQJSNMGWGM-UHFFFAOYSA-N 1 1 378.433 0.724 20 5 GCBDMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154876359 1184493086 /nfs/dbraw/zinc/49/30/86/1184493086.db2.gz MICKEBMFHQQFTB-UHFFFAOYSA-N 1 1 377.445 0.701 20 5 GCBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCOCC1 ZINC000275423213 1184662400 /nfs/dbraw/zinc/66/24/00/1184662400.db2.gz HSBCKGVRRVCCEF-UHFFFAOYSA-N 1 1 388.446 0.911 20 5 GCBDMO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCOCC1 ZINC000275423213 1184662402 /nfs/dbraw/zinc/66/24/02/1184662402.db2.gz HSBCKGVRRVCCEF-UHFFFAOYSA-N 1 1 388.446 0.911 20 5 GCBDMO COCCO[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000275539481 1184702941 /nfs/dbraw/zinc/70/29/41/1184702941.db2.gz LKBNCNFBTOMYSZ-GOSISDBHSA-N 1 1 392.456 0.981 20 5 GCBDMO COCCO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000275539483 1184703738 /nfs/dbraw/zinc/70/37/38/1184703738.db2.gz LKBNCNFBTOMYSZ-SFHVURJKSA-N 1 1 392.456 0.981 20 5 GCBDMO CC(C)[NH+]1CC(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000430425187 1184720497 /nfs/dbraw/zinc/72/04/97/1184720497.db2.gz KZOBZOHCKHWTCA-UHFFFAOYSA-N 1 1 385.446 0.253 20 5 GCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599574956 1184777239 /nfs/dbraw/zinc/77/72/39/1184777239.db2.gz IZASSZXXOMDARJ-NSHDSACASA-N 1 1 387.400 0.949 20 5 GCBDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609920655 1184806690 /nfs/dbraw/zinc/80/66/90/1184806690.db2.gz XRHSAMQKXOLNEM-AWEZNQCLSA-N 1 1 378.433 0.542 20 5 GCBDMO C[C@@H]1C[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC001670428748 1184906136 /nfs/dbraw/zinc/90/61/36/1184906136.db2.gz ICEFHOGRXILLQW-MCPWVCTESA-N 1 1 378.429 0.914 20 5 GCBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275773196 1185045205 /nfs/dbraw/zinc/04/52/05/1185045205.db2.gz HKAFSGRTCYBKIR-GFCCVEGCSA-N 1 1 386.474 0.784 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000610428603 1185173121 /nfs/dbraw/zinc/17/31/21/1185173121.db2.gz IARDOXSGGPCSIG-OAHLLOKOSA-N 1 1 395.508 0.971 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000610428603 1185173125 /nfs/dbraw/zinc/17/31/25/1185173125.db2.gz IARDOXSGGPCSIG-OAHLLOKOSA-N 1 1 395.508 0.971 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000610428603 1185173129 /nfs/dbraw/zinc/17/31/29/1185173129.db2.gz IARDOXSGGPCSIG-OAHLLOKOSA-N 1 1 395.508 0.971 20 5 GCBDMO NC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000261784967 1185257813 /nfs/dbraw/zinc/25/78/13/1185257813.db2.gz HTDOVQTXYMZSEZ-BBRMVZONSA-N 1 1 389.456 0.774 20 5 GCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000276226418 1185701118 /nfs/dbraw/zinc/70/11/18/1185701118.db2.gz NXYRLVGPJADOQI-UHFFFAOYSA-N 1 1 397.413 0.659 20 5 GCBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO ZINC000276244486 1185706270 /nfs/dbraw/zinc/70/62/70/1185706270.db2.gz VDUSVGXQMCVCAL-HUUCEWRRSA-N 1 1 380.445 0.307 20 5 GCBDMO NC(=O)c1ccc(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000430617863 1185786752 /nfs/dbraw/zinc/78/67/52/1185786752.db2.gz PQHYNEFQVAWCNB-HNNXBMFYSA-N 1 1 375.429 0.338 20 5 GCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276919338 1186149316 /nfs/dbraw/zinc/14/93/16/1186149316.db2.gz RHYJICXOJAOIHP-UHFFFAOYSA-N 1 1 396.400 0.323 20 5 GCBDMO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000610768642 1186175604 /nfs/dbraw/zinc/17/56/04/1186175604.db2.gz SCVXQIINLYVNJN-CQSZACIVSA-N 1 1 397.453 0.981 20 5 GCBDMO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000610768641 1186176981 /nfs/dbraw/zinc/17/69/81/1186176981.db2.gz SCVXQIINLYVNJN-AWEZNQCLSA-N 1 1 397.453 0.981 20 5 GCBDMO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535710625 1186203482 /nfs/dbraw/zinc/20/34/82/1186203482.db2.gz UXAFSQSLPAMJCO-KGLIPLIRSA-N 1 1 383.474 0.636 20 5 GCBDMO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000277026143 1186230350 /nfs/dbraw/zinc/23/03/50/1186230350.db2.gz IDJYNQQNRCUHOO-ZDUSSCGKSA-N 1 1 384.458 0.830 20 5 GCBDMO 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000452051790 1187842214 /nfs/dbraw/zinc/84/22/14/1187842214.db2.gz UVZUMDMPMKWXEC-MRXNPFEDSA-N 1 1 379.417 0.580 20 5 GCBDMO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000122267669 1188005961 /nfs/dbraw/zinc/00/59/61/1188005961.db2.gz XOEWUWNKYGXJFC-QSJFSLAZSA-N 1 1 379.461 0.946 20 5 GCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415755880 1188157407 /nfs/dbraw/zinc/15/74/07/1188157407.db2.gz DBIMYGVRQUWNKQ-UHFFFAOYSA-N 1 1 397.457 0.608 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102165308 1188158043 /nfs/dbraw/zinc/15/80/43/1188158043.db2.gz QCURTMHTRMQDPH-ZDUSSCGKSA-N 1 1 379.392 0.870 20 5 GCBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000378506275 1189523256 /nfs/dbraw/zinc/52/32/56/1189523256.db2.gz PMWSROZEKUDWHC-CQSZACIVSA-N 1 1 392.412 0.460 20 5 GCBDMO 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C[C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH+](C)CC1 ZINC000265875928 1193899404 /nfs/dbraw/zinc/89/94/04/1193899404.db2.gz KVGPUNVVUDVNPB-OAHLLOKOSA-N 1 1 389.456 0.515 20 5 GCBDMO CS(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000513455212 1193952669 /nfs/dbraw/zinc/95/26/69/1193952669.db2.gz OXTKMPSMKTVSRE-GFCCVEGCSA-N 1 1 398.441 0.068 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCCN3CCOCC3)CC2)c1 ZINC000182950462 1193965693 /nfs/dbraw/zinc/96/56/93/1193965693.db2.gz ZOBGZOSKMKOFTA-GOSISDBHSA-N 1 1 381.477 0.977 20 5 GCBDMO C[C@@H]1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420256932 1194218554 /nfs/dbraw/zinc/21/85/54/1194218554.db2.gz HSKGXUPPSWBMSH-ZIAGYGMSSA-N 1 1 399.517 0.998 20 5 GCBDMO C[C@@H]1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420256930 1194218717 /nfs/dbraw/zinc/21/87/17/1194218717.db2.gz HSKGXUPPSWBMSH-KGLIPLIRSA-N 1 1 399.517 0.998 20 5 GCBDMO 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O=c1c2cnn(-c3cc[nH+]cc3)c2ncn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000435883486 1194970090 /nfs/dbraw/zinc/97/00/90/1194970090.db2.gz LHJCYUAGLVYFHD-ZDUSSCGKSA-N 1 1 382.340 0.143 20 5 GCBDMO COCC[N@H+]1CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000518077033 1195245740 /nfs/dbraw/zinc/24/57/40/1195245740.db2.gz JIPZUXDQXYILSU-LBPRGKRZSA-N 1 1 378.385 0.157 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518307135 1195277995 /nfs/dbraw/zinc/27/79/95/1195277995.db2.gz OZTNHCUDMHETFF-HNNXBMFYSA-N 1 1 379.417 0.613 20 5 GCBDMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000518511522 1195299186 /nfs/dbraw/zinc/29/91/86/1195299186.db2.gz KTEYBKAPZACJJN-UXLLHSPISA-N 1 1 379.461 0.582 20 5 GCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655933 1195560570 /nfs/dbraw/zinc/56/05/70/1195560570.db2.gz QSDWCLSDHKMBOO-IUODEOHRSA-N 1 1 390.444 0.554 20 5 GCBDMO 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Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000441996235 1195937413 /nfs/dbraw/zinc/93/74/13/1195937413.db2.gz CMBHNPVTIRUHNQ-CYBMUJFWSA-N 1 1 391.428 0.545 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000442007164 1195941624 /nfs/dbraw/zinc/94/16/24/1195941624.db2.gz ACSQRRWWBWGBAO-QGZVFWFLSA-N 1 1 380.401 0.041 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000474375244 1196112241 /nfs/dbraw/zinc/11/22/41/1196112241.db2.gz RNJNLBLECWOWEO-UHFFFAOYSA-N 1 1 397.457 0.434 20 5 GCBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000280863507 1196114923 /nfs/dbraw/zinc/11/49/23/1196114923.db2.gz DOIATDQUKDSEDH-STQMWFEESA-N 1 1 382.442 0.616 20 5 GCBDMO COc1c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000896232305 1196136655 /nfs/dbraw/zinc/13/66/55/1196136655.db2.gz JDXJHILRUZQTLB-UHFFFAOYSA-N 1 1 391.428 0.729 20 5 GCBDMO O=c1nc(C2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH][n-]1 ZINC000281147122 1196278389 /nfs/dbraw/zinc/27/83/89/1196278389.db2.gz ZNLBWQSESTZOMJ-UHFFFAOYSA-N 1 1 381.414 0.660 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000281191089 1196282756 /nfs/dbraw/zinc/28/27/56/1196282756.db2.gz KGZOAKKCRXLELX-NWDGAFQWSA-N 1 1 382.442 0.615 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281498943 1196300559 /nfs/dbraw/zinc/30/05/59/1196300559.db2.gz ONZMMPWNUPPIPT-STQMWFEESA-N 1 1 394.428 0.389 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000281639490 1196317334 /nfs/dbraw/zinc/31/73/34/1196317334.db2.gz QOBDTTDKYBXENH-STQMWFEESA-N 1 1 394.428 0.247 20 5 GCBDMO C[N@H+]1CCN(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281653659 1196317483 /nfs/dbraw/zinc/31/74/83/1196317483.db2.gz BTLNCJMWCVWYBW-UHFFFAOYSA-N 1 1 378.429 0.928 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522829638 1196349429 /nfs/dbraw/zinc/34/94/29/1196349429.db2.gz OUTSPPDBTWCPSI-CYBMUJFWSA-N 1 1 391.428 0.545 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000523070372 1196454282 /nfs/dbraw/zinc/45/42/82/1196454282.db2.gz WMFSDAUCPKFJEX-UHFFFAOYSA-N 1 1 377.445 0.986 20 5 GCBDMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186631808 1196472076 /nfs/dbraw/zinc/47/20/76/1196472076.db2.gz PHZCLJGKOJZZTI-MRXNPFEDSA-N 1 1 398.423 0.817 20 5 GCBDMO CN(CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523121472 1196491155 /nfs/dbraw/zinc/49/11/55/1196491155.db2.gz ANCOUTWFJNLHKS-HZPDHXFCSA-N 1 1 396.469 0.958 20 5 GCBDMO CN(CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523127853 1196492049 /nfs/dbraw/zinc/49/20/49/1196492049.db2.gz JOPCHAWEGLNPGV-GFCCVEGCSA-N 1 1 382.442 0.568 20 5 GCBDMO Cn1cc[nH+]c1N1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000467515477 1196662096 /nfs/dbraw/zinc/66/20/96/1196662096.db2.gz ZMUJTCCYZDSHGC-UHFFFAOYSA-N 1 1 387.396 0.991 20 5 GCBDMO C[C@@H]1C[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000525617082 1196695567 /nfs/dbraw/zinc/69/55/67/1196695567.db2.gz TVKXZCFKHXZVIN-OLZOCXBDSA-N 1 1 384.458 0.862 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448687231 1196825622 /nfs/dbraw/zinc/82/56/22/1196825622.db2.gz QPFLTDMYCMAKRM-UHFFFAOYSA-N 1 1 386.412 0.925 20 5 GCBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450786173 1196953882 /nfs/dbraw/zinc/95/38/82/1196953882.db2.gz GPVNKZSDXBGTGB-DYVFJYSZSA-N 1 1 396.469 0.756 20 5 GCBDMO COc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452345745 1197053152 /nfs/dbraw/zinc/05/31/52/1197053152.db2.gz FPOLTAVLRGTQET-CQSZACIVSA-N 1 1 394.428 0.296 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452802601 1197083079 /nfs/dbraw/zinc/08/30/79/1197083079.db2.gz VOLCIQYXYXEJCF-CZUORRHYSA-N 1 1 378.429 0.676 20 5 GCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452802603 1197083230 /nfs/dbraw/zinc/08/32/30/1197083230.db2.gz VOLCIQYXYXEJCF-XJKSGUPXSA-N 1 1 378.429 0.676 20 5 GCBDMO C[N@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000520312735 1197105116 /nfs/dbraw/zinc/10/51/16/1197105116.db2.gz PFYUEPITBFHPLI-ZDUSSCGKSA-N 1 1 382.442 0.379 20 5 GCBDMO COCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000520341254 1197109090 /nfs/dbraw/zinc/10/90/90/1197109090.db2.gz YZMAACQUFRUYEY-LBPRGKRZSA-N 1 1 384.458 0.955 20 5 GCBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000475879667 1197336118 /nfs/dbraw/zinc/33/61/18/1197336118.db2.gz ZXAWMZFGGZFLJT-OAHLLOKOSA-N 1 1 375.429 0.886 20 5 GCBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000475879665 1197336236 /nfs/dbraw/zinc/33/62/36/1197336236.db2.gz ZXAWMZFGGZFLJT-HNNXBMFYSA-N 1 1 375.429 0.886 20 5 GCBDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533057986 1197429360 /nfs/dbraw/zinc/42/93/60/1197429360.db2.gz YPOALKUGPPZODQ-HZSPNIEDSA-N 1 1 390.444 0.588 20 5 GCBDMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533057986 1197429361 /nfs/dbraw/zinc/42/93/61/1197429361.db2.gz YPOALKUGPPZODQ-HZSPNIEDSA-N 1 1 390.444 0.588 20 5 GCBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533060513 1197430130 /nfs/dbraw/zinc/43/01/30/1197430130.db2.gz AHULSSVBLGVSHD-ZDUSSCGKSA-N 1 1 398.441 0.906 20 5 GCBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000533060513 1197430131 /nfs/dbraw/zinc/43/01/31/1197430131.db2.gz AHULSSVBLGVSHD-ZDUSSCGKSA-N 1 1 398.441 0.906 20 5 GCBDMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378869 1197448367 /nfs/dbraw/zinc/44/83/67/1197448367.db2.gz TWMVHEVDTORYHA-OCCSQVGLSA-N 1 1 390.444 0.588 20 5 GCBDMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378869 1197448371 /nfs/dbraw/zinc/44/83/71/1197448371.db2.gz TWMVHEVDTORYHA-OCCSQVGLSA-N 1 1 390.444 0.588 20 5 GCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000265719675 1198996153 /nfs/dbraw/zinc/99/61/53/1198996153.db2.gz YRAURDCKHPTGCP-LLVKDONJSA-N 1 1 378.385 0.905 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c2)C1 ZINC000554858036 1199084583 /nfs/dbraw/zinc/08/45/83/1199084583.db2.gz VXRHRCVXJDDXEX-AWEZNQCLSA-N 1 1 386.412 0.945 20 5 GCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000265735108 1199090516 /nfs/dbraw/zinc/09/05/16/1199090516.db2.gz CZAXQDIWAXHAQX-UHFFFAOYSA-N 1 1 393.425 0.694 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000488991879 1199203917 /nfs/dbraw/zinc/20/39/17/1199203917.db2.gz ZWVDBFYWYMVCNC-CXAGYDPISA-N 1 1 398.464 0.027 20 5 GCBDMO COCCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525258050 1199390457 /nfs/dbraw/zinc/39/04/57/1199390457.db2.gz WRRTYQHIDIRZQQ-UHFFFAOYSA-N 1 1 380.449 0.790 20 5 GCBDMO CCN1CC[NH+](CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136926 1199492218 /nfs/dbraw/zinc/49/22/18/1199492218.db2.gz XIUIFAIIZQBEOQ-UHFFFAOYSA-N 1 1 387.444 0.933 20 5 GCBDMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282421751 1199920911 /nfs/dbraw/zinc/92/09/11/1199920911.db2.gz JJCHVDMZSMNOEZ-LLVKDONJSA-N 1 1 389.412 0.320 20 5 GCBDMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282421751 1199920913 /nfs/dbraw/zinc/92/09/13/1199920913.db2.gz JJCHVDMZSMNOEZ-LLVKDONJSA-N 1 1 389.412 0.320 20 5 GCBDMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000029673392 1199967627 /nfs/dbraw/zinc/96/76/27/1199967627.db2.gz QRGXJIIFHACLLK-UHFFFAOYSA-N 1 1 377.445 0.986 20 5 GCBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000470587651 1200082689 /nfs/dbraw/zinc/08/26/89/1200082689.db2.gz KOBRDXGWONTSNV-LBPRGKRZSA-N 1 1 384.458 0.691 20 5 GCBDMO CC[N@@H+](CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000470587650 1200083368 /nfs/dbraw/zinc/08/33/68/1200083368.db2.gz KOBRDXGWONTSNV-GFCCVEGCSA-N 1 1 384.458 0.691 20 5 GCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245865540 1200378283 /nfs/dbraw/zinc/37/82/83/1200378283.db2.gz LILXPVWGAYTHHW-RDJZCZTQSA-N 1 1 388.428 0.726 20 5 GCBDMO CNc1nccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571894856 1200740768 /nfs/dbraw/zinc/74/07/68/1200740768.db2.gz IMOOXJUNUYVHIN-IBGZPJMESA-N 1 1 385.424 1.398 20 5 GCBDMO COc1cc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282533935 1200761427 /nfs/dbraw/zinc/76/14/27/1200761427.db2.gz MOXNAQSZWYCIPH-UHFFFAOYSA-N 1 1 386.474 0.908 20 5 GCBDMO CC[N@@H+](CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000804224499 1201181832 /nfs/dbraw/zinc/18/18/32/1201181832.db2.gz RDDIRUJTSOMLDT-UHFFFAOYSA-N 1 1 389.456 0.844 20 5 GCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000611147067 1201219610 /nfs/dbraw/zinc/21/96/10/1201219610.db2.gz TYRVVQJPDGQXKB-KRWDZBQOSA-N 1 1 391.472 0.843 20 5 GCBDMO CN1CCN(C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000611408981 1201236763 /nfs/dbraw/zinc/23/67/63/1201236763.db2.gz SGECJLHRERAOSV-RBUKOAKNSA-N 1 1 388.472 0.731 20 5 GCBDMO CN1CCN(C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000611408982 1201236891 /nfs/dbraw/zinc/23/68/91/1201236891.db2.gz SGECJLHRERAOSV-RTBURBONSA-N 1 1 388.472 0.731 20 5 GCBDMO COc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000611522627 1201242146 /nfs/dbraw/zinc/24/21/46/1201242146.db2.gz MPQXQSHXHUUGPH-ZDUSSCGKSA-N 1 1 393.444 0.636 20 5 GCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611515943 1201243032 /nfs/dbraw/zinc/24/30/32/1201243032.db2.gz SMOROFCRKIVNNZ-CYBMUJFWSA-N 1 1 382.465 0.742 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000731621064 1201490898 /nfs/dbraw/zinc/49/08/98/1201490898.db2.gz CNEKIDCIEKCIPP-KGLIPLIRSA-N 1 1 393.396 0.774 20 5 GCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000734129545 1201643334 /nfs/dbraw/zinc/64/33/34/1201643334.db2.gz VCGPIYQXCATUCZ-AWEZNQCLSA-N 1 1 378.429 0.570 20 5 GCBDMO Cc1[nH+]ccn1CCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000735060613 1201675763 /nfs/dbraw/zinc/67/57/63/1201675763.db2.gz RVQLBCPOWGXNGM-UHFFFAOYSA-N 1 1 395.441 0.975 20 5 GCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000737778839 1201731102 /nfs/dbraw/zinc/73/11/02/1201731102.db2.gz SEHJLWVYHQHDDO-UHFFFAOYSA-N 1 1 391.428 0.111 20 5 GCBDMO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169030136 1201930667 /nfs/dbraw/zinc/93/06/67/1201930667.db2.gz WVFGPSNDXSGJQT-OXGONZEZSA-N 1 1 377.445 0.827 20 5 GCBDMO CNC(=O)[C@]12C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001169019163 1201931081 /nfs/dbraw/zinc/93/10/81/1201931081.db2.gz FBSNVLCVUCWJQS-YYAJDYIMSA-N 1 1 388.472 0.939 20 5 GCBDMO O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21)c1ccnnc1 ZINC001169021284 1201931331 /nfs/dbraw/zinc/93/13/31/1201931331.db2.gz KJSFLOSJOBOYQG-QRIFCXAISA-N 1 1 389.456 0.989 20 5 GCBDMO Cn1cc(C(=O)N[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001169025450 1201931335 /nfs/dbraw/zinc/93/13/35/1201931335.db2.gz JAUCMGDSEWAJQB-ZZTPXLKCSA-N 1 1 377.445 0.827 20 5 GCBDMO O=C(NC[C@H]1OC[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21)c1ccnnc1 ZINC001169021287 1201931405 /nfs/dbraw/zinc/93/14/05/1201931405.db2.gz KJSFLOSJOBOYQG-XEIOYGOASA-N 1 1 389.456 0.989 20 5 GCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000766970523 1201963721 /nfs/dbraw/zinc/96/37/21/1201963721.db2.gz CZOZZAMEIUTVBB-UHFFFAOYSA-N 1 1 387.396 0.830 20 5 GCBDMO C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000770730337 1202108450 /nfs/dbraw/zinc/10/84/50/1202108450.db2.gz XYAPLKKDLNBQLI-MQIPJXDCSA-N 1 1 394.403 0.922 20 5 GCBDMO C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000770730337 1202108451 /nfs/dbraw/zinc/10/84/51/1202108451.db2.gz XYAPLKKDLNBQLI-MQIPJXDCSA-N 1 1 394.403 0.922 20 5 GCBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)c([N+](=O)[O-])c1 ZINC001170341424 1205491092 /nfs/dbraw/zinc/49/10/92/1205491092.db2.gz ISBZLHCVCPOKSL-DJJJIMSYSA-N 1 1 390.440 0.957 20 5 GCBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ncnn21 ZINC001171510936 1205708297 /nfs/dbraw/zinc/70/82/97/1205708297.db2.gz NIFRCRWTHLDSFU-LBPRGKRZSA-N 1 1 380.430 0.584 20 5 GCBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001173695319 1205726691 /nfs/dbraw/zinc/72/66/91/1205726691.db2.gz CHJXBFXTFVYYIY-IUODEOHRSA-N 1 1 385.442 0.033 20 5 GCBDMO CN1CC2(C1)C[NH+](C1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)C2 ZINC001173702666 1205726900 /nfs/dbraw/zinc/72/69/00/1205726900.db2.gz UZBFICJIMWKYAN-UHFFFAOYSA-N 1 1 380.470 0.995 20 5 GCBDMO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001176061664 1205743709 /nfs/dbraw/zinc/74/37/09/1205743709.db2.gz LAIQIQQNGRYFRK-OKILXGFUSA-N 1 1 394.453 0.379 20 5 GCBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])CC2 ZINC001164684294 719710066 /nfs/dbraw/zinc/71/00/66/719710066.db2.gz OOWFNYNBDSKURG-UHFFFAOYSA-N 1 1 391.428 0.957 20 5 GCBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@H]2C1 ZINC001164852537 720837605 /nfs/dbraw/zinc/83/76/05/720837605.db2.gz KKZHYSQBCXPKOH-XJKSGUPXSA-N 1 1 394.428 0.950 20 5 GCBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164848634 720846155 /nfs/dbraw/zinc/84/61/55/720846155.db2.gz APOUHMIIRXMMLR-CJNGLKHVSA-N 1 1 394.428 0.950 20 5 GCBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC3)CC1 ZINC001164997683 722229177 /nfs/dbraw/zinc/22/91/77/722229177.db2.gz SJOTXRYDGNROEK-UHFFFAOYSA-N 1 1 385.428 0.375 20 5 GCBDMO NC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000011173866 530130435 /nfs/dbraw/zinc/13/04/35/530130435.db2.gz HEGFSTWRCQYLJJ-QMMMGPOBSA-N 1 1 382.320 0.152 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c(Br)c1 ZINC000599105932 530159264 /nfs/dbraw/zinc/15/92/64/530159264.db2.gz GTGOAUNXRVIHTP-QMMMGPOBSA-N 1 1 380.220 0.624 20 5 GCBDMO CS(=O)(=O)c1ccc(NCCNC(=O)CC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000565149133 530351491 /nfs/dbraw/zinc/35/14/91/530351491.db2.gz XZUCTNZJGDXUET-UHFFFAOYSA-N 1 1 380.373 0.511 20 5 GCBDMO C[C@@H]1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)C[C@@H](C)O1 ZINC000414134352 530589678 /nfs/dbraw/zinc/58/96/78/530589678.db2.gz CKAVFSGHGMGPJN-FOGDFJRCSA-N 1 1 390.234 0.989 20 5 GCBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000592388723 530766261 /nfs/dbraw/zinc/76/62/61/530766261.db2.gz LDSGEGVKBBOQSR-LLVKDONJSA-N 1 1 377.806 0.774 20 5 GCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592389182 530766337 /nfs/dbraw/zinc/76/63/37/530766337.db2.gz UEGROFUIQDTJIV-NSHDSACASA-N 1 1 377.806 0.774 20 5 GCBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275051338 530906540 /nfs/dbraw/zinc/90/65/40/530906540.db2.gz HPGQFIJUCGXHKJ-UHFFFAOYSA-N 1 1 379.410 0.989 20 5 GCBDMO NC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736025 599098718 /nfs/dbraw/zinc/09/87/18/599098718.db2.gz GTFMQRDGLOCXNB-HNNXBMFYSA-N 1 1 383.368 0.970 20 5 GCBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736859959 598427670 /nfs/dbraw/zinc/42/76/70/598427670.db2.gz KQLVWYXPBSBBPN-ZDUSSCGKSA-N 1 1 387.448 0.776 20 5 GCBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737511413 598502506 /nfs/dbraw/zinc/50/25/06/598502506.db2.gz KQJJIFUBQDXDTL-UHFFFAOYSA-N 1 1 398.431 0.842 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823651919 599568441 /nfs/dbraw/zinc/56/84/41/599568441.db2.gz RLVRIPVBCSKFMZ-MRXNPFEDSA-N 1 1 384.400 0.997 20 5 GCBDMO C[NH+](C)C1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1 ZINC000825849388 607586885 /nfs/dbraw/zinc/58/68/85/607586885.db2.gz LCAKENCMYPPWAA-UHFFFAOYSA-N 1 1 395.445 0.928 20 5 GCBDMO C[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCCC1 ZINC000825941145 607608871 /nfs/dbraw/zinc/60/88/71/607608871.db2.gz ASQKIKDAPRNHPI-UHFFFAOYSA-N 1 1 395.445 0.928 20 5 GCBDMO C[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCCC1 ZINC000825941145 607608872 /nfs/dbraw/zinc/60/88/72/607608872.db2.gz ASQKIKDAPRNHPI-UHFFFAOYSA-N 1 1 395.445 0.928 20 5 GCBDMO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826029812 607611476 /nfs/dbraw/zinc/61/14/76/607611476.db2.gz XJELPCCLVUASLE-SNVBAGLBSA-N 1 1 381.418 0.395 20 5 GCBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826029812 607611478 /nfs/dbraw/zinc/61/14/78/607611478.db2.gz XJELPCCLVUASLE-SNVBAGLBSA-N 1 1 381.418 0.395 20 5 GCBDMO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825855031 607613630 /nfs/dbraw/zinc/61/36/30/607613630.db2.gz GFRAJIRELUIQHX-JTQLQIEISA-N 1 1 381.418 0.490 20 5 GCBDMO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999193 607614848 /nfs/dbraw/zinc/61/48/48/607614848.db2.gz DLEXJPUMIQGEIJ-WDEREUQCSA-N 1 1 393.429 0.632 20 5 GCBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824999193 607614849 /nfs/dbraw/zinc/61/48/49/607614849.db2.gz DLEXJPUMIQGEIJ-WDEREUQCSA-N 1 1 393.429 0.632 20 5 GCBDMO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825859932 607615315 /nfs/dbraw/zinc/61/53/15/607615315.db2.gz IVQNXFYCONRZFH-SNVBAGLBSA-N 1 1 381.418 0.347 20 5 GCBDMO COCCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826155863 607647527 /nfs/dbraw/zinc/64/75/27/607647527.db2.gz FNVAKIYYXVBJOT-UHFFFAOYSA-N 1 1 399.433 0.022 20 5 GCBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826155863 607647530 /nfs/dbraw/zinc/64/75/30/607647530.db2.gz FNVAKIYYXVBJOT-UHFFFAOYSA-N 1 1 399.433 0.022 20 5 GCBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750935 606734217 /nfs/dbraw/zinc/73/42/17/606734217.db2.gz DOHGJNSWTFHZRM-GHMZBOCLSA-N 1 1 395.445 0.736 20 5 GCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820750935 606734220 /nfs/dbraw/zinc/73/42/20/606734220.db2.gz DOHGJNSWTFHZRM-GHMZBOCLSA-N 1 1 395.445 0.736 20 5 GCBDMO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000820767070 606736002 /nfs/dbraw/zinc/73/60/02/606736002.db2.gz FTAGTFZXUHPHDH-ONGXEEELSA-N 1 1 381.418 0.346 20 5 GCBDMO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820767068 606736296 /nfs/dbraw/zinc/73/62/96/606736296.db2.gz FTAGTFZXUHPHDH-MWLCHTKSSA-N 1 1 381.418 0.346 20 5 GCBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826501727 607792553 /nfs/dbraw/zinc/79/25/53/607792553.db2.gz DYSLCAVNQFWOEU-UHFFFAOYSA-N 1 1 396.411 0.759 20 5 GCBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826501922 607792605 /nfs/dbraw/zinc/79/26/05/607792605.db2.gz MLFUMESYOINGKH-UHFFFAOYSA-N 1 1 397.399 0.154 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826390424 607838313 /nfs/dbraw/zinc/83/83/13/607838313.db2.gz ZHLOYFFZGBTRBG-OAHLLOKOSA-N 1 1 386.416 0.693 20 5 GCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000762554371 640609322 /nfs/dbraw/zinc/60/93/22/640609322.db2.gz GOQWSCYOUPZQQF-LBPRGKRZSA-N 1 1 394.247 0.702 20 5 GCBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000842859622 642355264 /nfs/dbraw/zinc/35/52/64/642355264.db2.gz QBXGWZAVEHLXIT-LBPRGKRZSA-N 1 1 375.378 0.568 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000128544604 1192279634 /nfs/dbraw/zinc/27/96/34/1192279634.db2.gz JGVFKQLWSACHNG-HNNXBMFYSA-N 1 1 385.428 0.846 20 5 GCBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000585725635 1192399235 /nfs/dbraw/zinc/39/92/35/1192399235.db2.gz ZFPFEXNALANLAU-VXGBXAGGSA-N 1 1 386.412 0.830 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000512077534 1192428079 /nfs/dbraw/zinc/42/80/79/1192428079.db2.gz PJPSFVTYSVRUHB-UHFFFAOYSA-N 1 1 387.444 0.510 20 5 GCBDMO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CN1CC[NH+](C)CC1 ZINC000265124067 1192471563 /nfs/dbraw/zinc/47/15/63/1192471563.db2.gz OQMUGQIYJABCLX-ZDUSSCGKSA-N 1 1 378.429 0.979 20 5 GCBDMO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CN1CC[NH+](C)CC1 ZINC000265124064 1192471708 /nfs/dbraw/zinc/47/17/08/1192471708.db2.gz OQMUGQIYJABCLX-CYBMUJFWSA-N 1 1 378.429 0.979 20 5 GCBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000279145338 1192473651 /nfs/dbraw/zinc/47/36/51/1192473651.db2.gz YALPPJACZNDMAB-KRWDZBQOSA-N 1 1 375.385 0.906 20 5 GCBDMO C[N@H+]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000549729334 1192862870 /nfs/dbraw/zinc/86/28/70/1192862870.db2.gz WFGNVCLYAPFXGT-UHFFFAOYSA-N 1 1 399.473 0.597 20 5 GCBDMO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000573439499 1192901413 /nfs/dbraw/zinc/90/14/13/1192901413.db2.gz TUNLQGANPXBNSR-HNNXBMFYSA-N 1 1 384.502 0.842 20 5 GCBDMO C[C@](O)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C[NH+]1CCOCC1 ZINC000136953900 1184306405 /nfs/dbraw/zinc/30/64/05/1184306405.db2.gz RNADBAFIIUXQGC-SFHVURJKSA-N 1 1 376.413 0.818 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000275212691 1184553423 /nfs/dbraw/zinc/55/34/23/1184553423.db2.gz JLLHUQCTEJJONR-MELADBBJSA-N 1 1 378.429 0.627 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000275212691 1184553429 /nfs/dbraw/zinc/55/34/29/1184553429.db2.gz JLLHUQCTEJJONR-MELADBBJSA-N 1 1 378.429 0.627 20 5 GCBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1(O)CCOCC1 ZINC000275537573 1184702618 /nfs/dbraw/zinc/70/26/18/1184702618.db2.gz LFTLRBFRKTXDSM-UHFFFAOYSA-N 1 1 392.456 0.717 20 5 GCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC001648822386 1184822844 /nfs/dbraw/zinc/82/28/44/1184822844.db2.gz FIDUMYDZOJZIAM-UHFFFAOYSA-N 1 1 392.412 0.650 20 5 GCBDMO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000047699880 1184982140 /nfs/dbraw/zinc/98/21/40/1184982140.db2.gz CDLSURRAECTMIV-ZDUSSCGKSA-N 1 1 385.442 0.946 20 5 GCBDMO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000275772187 1185044488 /nfs/dbraw/zinc/04/44/88/1185044488.db2.gz FQPXAALZSWQCII-UHFFFAOYSA-N 1 1 384.820 0.817 20 5 GCBDMO COC(=O)C(C(=O)OC)c1cc(-n2cnc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001167361825 1185096852 /nfs/dbraw/zinc/09/68/52/1185096852.db2.gz FDUHJCPRPDZZSF-UHFFFAOYSA-N 1 1 375.341 0.148 20 5 GCBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275806165 1185112909 /nfs/dbraw/zinc/11/29/09/1185112909.db2.gz KWCRWJFSWVKJKI-GFCCVEGCSA-N 1 1 380.401 0.000 20 5 GCBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC[N@H+]1CCCOCC1 ZINC000275841574 1185173059 /nfs/dbraw/zinc/17/30/59/1185173059.db2.gz LYZMVTQURNFNAD-UHFFFAOYSA-N 1 1 376.369 0.029 20 5 GCBDMO C[C@H](CO)[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H](C)O ZINC000276244475 1185706535 /nfs/dbraw/zinc/70/65/35/1185706535.db2.gz VDUSVGXQMCVCAL-CABCVRRESA-N 1 1 380.445 0.307 20 5 GCBDMO C[C@H]1C[N@H+](CCN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000276344155 1185748784 /nfs/dbraw/zinc/74/87/84/1185748784.db2.gz UUBKCEOERRRFCX-HNNXBMFYSA-N 1 1 398.485 0.622 20 5 GCBDMO C[C@H]1C[N@@H+](CCN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000276344155 1185748788 /nfs/dbraw/zinc/74/87/88/1185748788.db2.gz UUBKCEOERRRFCX-HNNXBMFYSA-N 1 1 398.485 0.622 20 5 GCBDMO Cc1ccc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1[N+](=O)[O-] ZINC001687335100 1185775547 /nfs/dbraw/zinc/77/55/47/1185775547.db2.gz SQVYWUJDTOHFLZ-MAUKXSAKSA-N 1 1 378.429 0.928 20 5 GCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000610681411 1186116990 /nfs/dbraw/zinc/11/69/90/1186116990.db2.gz RXOQPTKPVOUUOL-UHFFFAOYSA-N 1 1 387.400 0.022 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000610900623 1186253771 /nfs/dbraw/zinc/25/37/71/1186253771.db2.gz CHKLTDFLOOTRMU-YGRLFVJLSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900623 1186253777 /nfs/dbraw/zinc/25/37/77/1186253777.db2.gz CHKLTDFLOOTRMU-YGRLFVJLSA-N 1 1 376.369 0.026 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610900583 1186254744 /nfs/dbraw/zinc/25/47/44/1186254744.db2.gz BFGDXPAWQMRGSV-MFKMUULPSA-N 1 1 384.820 0.813 20 5 GCBDMO C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610900583 1186254747 /nfs/dbraw/zinc/25/47/47/1186254747.db2.gz BFGDXPAWQMRGSV-MFKMUULPSA-N 1 1 384.820 0.813 20 5 GCBDMO C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000610900557 1186255197 /nfs/dbraw/zinc/25/51/97/1186255197.db2.gz AMKOEWXAMWEDEY-GXFFZTMASA-N 1 1 382.442 0.621 20 5 GCBDMO C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000610900557 1186255202 /nfs/dbraw/zinc/25/52/02/1186255202.db2.gz AMKOEWXAMWEDEY-GXFFZTMASA-N 1 1 382.442 0.621 20 5 GCBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262486091 1186301518 /nfs/dbraw/zinc/30/15/18/1186301518.db2.gz FLGVVJQOQQVRCV-AWEZNQCLSA-N 1 1 376.413 0.787 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262526065 1186303962 /nfs/dbraw/zinc/30/39/62/1186303962.db2.gz NOKQKHYKPTYAQO-AWEZNQCLSA-N 1 1 382.442 0.488 20 5 GCBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263726295 1186468139 /nfs/dbraw/zinc/46/81/39/1186468139.db2.gz PFXYZVRPZJPLQZ-AWEZNQCLSA-N 1 1 396.469 0.770 20 5 GCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000511092321 1186468363 /nfs/dbraw/zinc/46/83/63/1186468363.db2.gz HXRGRTQSQGDDTE-GFCCVEGCSA-N 1 1 390.396 0.418 20 5 GCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000511102275 1186504246 /nfs/dbraw/zinc/50/42/46/1186504246.db2.gz RJHLFEMTMZSAPI-CQSZACIVSA-N 1 1 378.429 0.942 20 5 GCBDMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000582802531 1186685415 /nfs/dbraw/zinc/68/54/15/1186685415.db2.gz FHBUBFKGFVPOKG-OAHLLOKOSA-N 1 1 391.472 0.925 20 5 GCBDMO CC(C)[C@H](CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000248248018 1186819811 /nfs/dbraw/zinc/81/98/11/1186819811.db2.gz HVQKNRGLMUQPPT-HNNXBMFYSA-N 1 1 392.412 0.976 20 5 GCBDMO CC(C)[C@@H](CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000248248020 1186819835 /nfs/dbraw/zinc/81/98/35/1186819835.db2.gz HVQKNRGLMUQPPT-OAHLLOKOSA-N 1 1 392.412 0.976 20 5 GCBDMO Cc1[nH+]ccn1CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000052296749 1186835099 /nfs/dbraw/zinc/83/50/99/1186835099.db2.gz PCNWBMLXZFGQAS-UHFFFAOYSA-N 1 1 396.429 0.377 20 5 GCBDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000583508052 1186873347 /nfs/dbraw/zinc/87/33/47/1186873347.db2.gz YQECGPJUVYKQEG-ZDUSSCGKSA-N 1 1 386.474 0.353 20 5 GCBDMO CN(CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000278448485 1186948019 /nfs/dbraw/zinc/94/80/19/1186948019.db2.gz AAPXAVHWZSTASD-BETUJISGSA-N 1 1 382.442 0.235 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278454672 1186950348 /nfs/dbraw/zinc/95/03/48/1186950348.db2.gz NRTBXSHNBOQBQC-HNNXBMFYSA-N 1 1 382.442 0.616 20 5 GCBDMO C[C@@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1=CC[N@@H+](C)CC1 ZINC000584140609 1187004852 /nfs/dbraw/zinc/00/48/52/1187004852.db2.gz PDIHTSPZZHATED-CYBMUJFWSA-N 1 1 390.444 0.721 20 5 GCBDMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278667034 1187012301 /nfs/dbraw/zinc/01/23/01/1187012301.db2.gz BHSQPZJJCQZQCU-AWEZNQCLSA-N 1 1 398.423 0.993 20 5 GCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188262769 1187270710 /nfs/dbraw/zinc/27/07/10/1187270710.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 1 1 389.456 0.721 20 5 GCBDMO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188262769 1187270714 /nfs/dbraw/zinc/27/07/14/1187270714.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 1 1 389.456 0.721 20 5 GCBDMO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188262769 1187270715 /nfs/dbraw/zinc/27/07/15/1187270715.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 1 1 389.456 0.721 20 5 GCBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375813312 1187434566 /nfs/dbraw/zinc/43/45/66/1187434566.db2.gz ZEZLUYDEZCRUMN-YCPHGPKFSA-N 1 1 397.432 0.522 20 5 GCBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364848748 1187467849 /nfs/dbraw/zinc/46/78/49/1187467849.db2.gz CNARUPLJAGEELD-UONOGXRCSA-N 1 1 387.458 0.737 20 5 GCBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364848748 1187467851 /nfs/dbraw/zinc/46/78/51/1187467851.db2.gz CNARUPLJAGEELD-UONOGXRCSA-N 1 1 387.458 0.737 20 5 GCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000411241151 1187471927 /nfs/dbraw/zinc/47/19/27/1187471927.db2.gz BRCSUWIFMOJLPO-AWEZNQCLSA-N 1 1 391.428 0.606 20 5 GCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411760545 1187511642 /nfs/dbraw/zinc/51/16/42/1187511642.db2.gz SIOLMTUBRJJWNK-ZDUSSCGKSA-N 1 1 392.412 0.659 20 5 GCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000411760545 1187511644 /nfs/dbraw/zinc/51/16/44/1187511644.db2.gz SIOLMTUBRJJWNK-ZDUSSCGKSA-N 1 1 392.412 0.659 20 5 GCBDMO COC(=O)[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C)C1 ZINC000411925152 1187532547 /nfs/dbraw/zinc/53/25/47/1187532547.db2.gz ZAUGAACPAWOGOH-XJKSGUPXSA-N 1 1 376.413 0.737 20 5 GCBDMO COC(=O)c1cc(C)nc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000376086626 1187595225 /nfs/dbraw/zinc/59/52/25/1187595225.db2.gz ALUNYYPUOSVGCG-CQSZACIVSA-N 1 1 391.428 0.828 20 5 GCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000376162772 1187639952 /nfs/dbraw/zinc/63/99/52/1187639952.db2.gz OKUKLQJTCJCFJN-CYBMUJFWSA-N 1 1 390.396 0.702 20 5 GCBDMO CN1CCN(c2ncccc2C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000581365611 1187713857 /nfs/dbraw/zinc/71/38/57/1187713857.db2.gz XUOOPAGZJNWNCH-INIZCTEOSA-N 1 1 375.433 0.089 20 5 GCBDMO 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COC(=O)[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416581402 1189555680 /nfs/dbraw/zinc/55/56/80/1189555680.db2.gz JGXHDVLGTZVAMI-CQSZACIVSA-N 1 1 385.442 0.504 20 5 GCBDMO CNC(=O)c1ccc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000053562227 1189753003 /nfs/dbraw/zinc/75/30/03/1189753003.db2.gz SVYNLBLYFCVKCG-UHFFFAOYSA-N 1 1 389.456 0.945 20 5 GCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000566706748 1189794609 /nfs/dbraw/zinc/79/46/09/1189794609.db2.gz HRENUYSDEQHJMA-UHFFFAOYSA-N 1 1 378.385 0.275 20 5 GCBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000109218715 1190060583 /nfs/dbraw/zinc/06/05/83/1190060583.db2.gz XFZGCYVRTMKWNC-UHFFFAOYSA-N 1 1 394.476 0.893 20 5 GCBDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000109218715 1190060587 /nfs/dbraw/zinc/06/05/87/1190060587.db2.gz XFZGCYVRTMKWNC-UHFFFAOYSA-N 1 1 394.476 0.893 20 5 GCBDMO C[NH+]1CCN(CCCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136932 1193730596 /nfs/dbraw/zinc/73/05/96/1193730596.db2.gz PQUJSKBJDOLMTQ-UHFFFAOYSA-N 1 1 387.444 0.933 20 5 GCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000419350983 1193846043 /nfs/dbraw/zinc/84/60/43/1193846043.db2.gz GOUYRLIYZNCBLZ-GXTWGEPZSA-N 1 1 381.385 0.088 20 5 GCBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000419350983 1193846047 /nfs/dbraw/zinc/84/60/47/1193846047.db2.gz GOUYRLIYZNCBLZ-GXTWGEPZSA-N 1 1 381.385 0.088 20 5 GCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419353032 1193851693 /nfs/dbraw/zinc/85/16/93/1193851693.db2.gz JESYXJPUARQFDG-HNNXBMFYSA-N 1 1 392.412 0.985 20 5 GCBDMO COC(=O)COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261749212 1193865296 /nfs/dbraw/zinc/86/52/96/1193865296.db2.gz CBOYIQIRLOWHRW-AWEZNQCLSA-N 1 1 394.428 0.434 20 5 GCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513481618 1193955897 /nfs/dbraw/zinc/95/58/97/1193955897.db2.gz SDPAJQYBWRSDFL-GFCCVEGCSA-N 1 1 385.442 0.839 20 5 GCBDMO CCOc1cc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000280259712 1193982459 /nfs/dbraw/zinc/98/24/59/1193982459.db2.gz PLQQREUQDUQRGB-UHFFFAOYSA-N 1 1 377.401 0.667 20 5 GCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280707763 1194015355 /nfs/dbraw/zinc/01/53/55/1194015355.db2.gz FXXVODRMZKRJOD-CYBMUJFWSA-N 1 1 384.458 0.673 20 5 GCBDMO NC(=O)c1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000545865886 1194077042 /nfs/dbraw/zinc/07/70/42/1194077042.db2.gz NGLTXANFGVRISQ-UHFFFAOYSA-N 1 1 391.409 0.600 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413157260 1194085931 /nfs/dbraw/zinc/08/59/31/1194085931.db2.gz PUHQGBBCDPOXCZ-ZDUSSCGKSA-N 1 1 380.401 0.850 20 5 GCBDMO COC(=O)[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+](C)C1 ZINC000413157241 1194086023 /nfs/dbraw/zinc/08/60/23/1194086023.db2.gz PTFJYQDOLRAACQ-ZDUSSCGKSA-N 1 1 380.401 0.850 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413898736 1194357187 /nfs/dbraw/zinc/35/71/87/1194357187.db2.gz IYCKXRTTWOVTIX-GFCCVEGCSA-N 1 1 381.385 0.789 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413898736 1194357188 /nfs/dbraw/zinc/35/71/88/1194357188.db2.gz IYCKXRTTWOVTIX-GFCCVEGCSA-N 1 1 381.385 0.789 20 5 GCBDMO COC(=O)[C@H]1CN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413895241 1194357293 /nfs/dbraw/zinc/35/72/93/1194357293.db2.gz QJJXSPLOJPMEFQ-LLVKDONJSA-N 1 1 383.376 0.848 20 5 GCBDMO CC(C)[C@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000502822157 1194360653 /nfs/dbraw/zinc/36/06/53/1194360653.db2.gz BTFKNDVKDWFFNV-OAHLLOKOSA-N 1 1 388.428 0.886 20 5 GCBDMO 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O=[N+]([O-])c1cccc(S(=O)(=O)NCCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422938355 1194710023 /nfs/dbraw/zinc/71/00/23/1194710023.db2.gz PLBNRGYVYLGIOK-HZPDHXFCSA-N 1 1 384.458 0.230 20 5 GCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422951197 1194712157 /nfs/dbraw/zinc/71/21/57/1194712157.db2.gz ZVQCHGLCRZHMPX-HOTGVXAUSA-N 1 1 384.458 0.230 20 5 GCBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000436436634 1195005367 /nfs/dbraw/zinc/00/53/67/1195005367.db2.gz SZGHZPSZWMXVKZ-CQSZACIVSA-N 1 1 378.429 0.570 20 5 GCBDMO CC[N@@H+](CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000517081107 1195132139 /nfs/dbraw/zinc/13/21/39/1195132139.db2.gz OJPPUUBDSZGHOV-UHFFFAOYSA-N 1 1 384.458 0.864 20 5 GCBDMO CN1CC[NH+](CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000518002358 1195237763 /nfs/dbraw/zinc/23/77/63/1195237763.db2.gz UOZZRJJDTDKEJA-UHFFFAOYSA-N 1 1 391.428 0.074 20 5 GCBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000518139651 1195251760 /nfs/dbraw/zinc/25/17/60/1195251760.db2.gz OZWXUAPCUUUIJY-HNNXBMFYSA-N 1 1 391.428 0.579 20 5 GCBDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1C1CC1 ZINC000426883274 1195488703 /nfs/dbraw/zinc/48/87/03/1195488703.db2.gz SBNKLRBIFYFJPO-CQSZACIVSA-N 1 1 382.442 0.616 20 5 GCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000520560790 1195787383 /nfs/dbraw/zinc/78/73/83/1195787383.db2.gz MVNNRBPBCSCZJN-CQSZACIVSA-N 1 1 392.460 0.893 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000427631028 1195836104 /nfs/dbraw/zinc/83/61/04/1195836104.db2.gz PJFZFDYXNSCSIJ-UHFFFAOYSA-N 1 1 380.445 0.723 20 5 GCBDMO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000441996236 1195937526 /nfs/dbraw/zinc/93/75/26/1195937526.db2.gz CMBHNPVTIRUHNQ-ZDUSSCGKSA-N 1 1 391.428 0.545 20 5 GCBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000520971463 1195945566 /nfs/dbraw/zinc/94/55/66/1195945566.db2.gz JDCJIYYNGVWUDL-LLVKDONJSA-N 1 1 385.446 0.207 20 5 GCBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000520971463 1195945568 /nfs/dbraw/zinc/94/55/68/1195945568.db2.gz JDCJIYYNGVWUDL-LLVKDONJSA-N 1 1 385.446 0.207 20 5 GCBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000267124053 1195946153 /nfs/dbraw/zinc/94/61/53/1195946153.db2.gz BGMWYAKUFLMTPH-UHFFFAOYSA-N 1 1 384.458 0.654 20 5 GCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000438968826 1195987571 /nfs/dbraw/zinc/98/75/71/1195987571.db2.gz BCLWTRZAGJLUOF-MRXNPFEDSA-N 1 1 386.408 0.292 20 5 GCBDMO NC(=O)c1cccc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000439097891 1196018110 /nfs/dbraw/zinc/01/81/10/1196018110.db2.gz IDGNGRBKFCIZSG-UHFFFAOYSA-N 1 1 375.429 0.828 20 5 GCBDMO NC(=O)c1cccc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000439097891 1196018112 /nfs/dbraw/zinc/01/81/12/1196018112.db2.gz IDGNGRBKFCIZSG-UHFFFAOYSA-N 1 1 375.429 0.828 20 5 GCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000521922209 1196025560 /nfs/dbraw/zinc/02/55/60/1196025560.db2.gz ZMZADAAVFJDFMT-UHFFFAOYSA-N 1 1 387.444 0.885 20 5 GCBDMO COCC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000522190110 1196057860 /nfs/dbraw/zinc/05/78/60/1196057860.db2.gz OVXACMIGGRVANE-UHFFFAOYSA-N 1 1 378.385 0.111 20 5 GCBDMO CN(c1ncc([N+](=O)[O-])s1)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000443511168 1196063346 /nfs/dbraw/zinc/06/33/46/1196063346.db2.gz PWHBXAFVFKWXGI-UHFFFAOYSA-N 1 1 382.490 0.726 20 5 GCBDMO CN1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CC[N@@H+]3C)c([N+](=O)[O-])c2)CC1 ZINC000895776558 1196112022 /nfs/dbraw/zinc/11/20/22/1196112022.db2.gz JSXRDFIONYUSKC-ZDUSSCGKSA-N 1 1 383.474 0.647 20 5 GCBDMO CN1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CC[N@H+]3C)c([N+](=O)[O-])c2)CC1 ZINC000895776558 1196112023 /nfs/dbraw/zinc/11/20/23/1196112023.db2.gz JSXRDFIONYUSKC-ZDUSSCGKSA-N 1 1 383.474 0.647 20 5 GCBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000280863496 1196115021 /nfs/dbraw/zinc/11/50/21/1196115021.db2.gz DOIATDQUKDSEDH-OLZOCXBDSA-N 1 1 382.442 0.616 20 5 GCBDMO COc1cccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000896233598 1196136821 /nfs/dbraw/zinc/13/68/21/1196136821.db2.gz XVYZRHRQGGUGJY-UHFFFAOYSA-N 1 1 391.428 0.729 20 5 GCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896572536 1196167670 /nfs/dbraw/zinc/16/76/70/1196167670.db2.gz QDKPGURVVYPUOL-KSSFIOAISA-N 1 1 391.472 0.796 20 5 GCBDMO COCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000281077025 1196275808 /nfs/dbraw/zinc/27/58/08/1196275808.db2.gz CDZNVPXTWXQPEB-UHFFFAOYSA-N 1 1 380.401 0.124 20 5 GCBDMO Cc1cc(OCC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000281254780 1196285242 /nfs/dbraw/zinc/28/52/42/1196285242.db2.gz FICLHHXOHGNFNL-UHFFFAOYSA-N 1 1 378.429 0.951 20 5 GCBDMO C[N@H+]1CCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1(C)C ZINC000281703623 1196324161 /nfs/dbraw/zinc/32/41/61/1196324161.db2.gz HDHBKTKHMCUQPJ-UHFFFAOYSA-N 1 1 387.444 0.931 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000281750639 1196330399 /nfs/dbraw/zinc/33/03/99/1196330399.db2.gz VXSZZUFDANVQFL-CYBMUJFWSA-N 1 1 379.417 0.294 20 5 GCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000444368377 1196434761 /nfs/dbraw/zinc/43/47/61/1196434761.db2.gz WUDGSPCCKXJTCX-QGZVFWFLSA-N 1 1 376.369 0.045 20 5 GCBDMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186631787 1196472088 /nfs/dbraw/zinc/47/20/88/1196472088.db2.gz PHZCLJGKOJZZTI-INIZCTEOSA-N 1 1 398.423 0.817 20 5 GCBDMO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440496364 1196510138 /nfs/dbraw/zinc/51/01/38/1196510138.db2.gz OJRLLQXHUOMOJR-DZGCQCFKSA-N 1 1 390.444 0.555 20 5 GCBDMO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000440496364 1196510142 /nfs/dbraw/zinc/51/01/42/1196510142.db2.gz OJRLLQXHUOMOJR-DZGCQCFKSA-N 1 1 390.444 0.555 20 5 GCBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000544398091 1196548371 /nfs/dbraw/zinc/54/83/71/1196548371.db2.gz QWYDXLCEUTXEQZ-GFCCVEGCSA-N 1 1 384.414 0.646 20 5 GCBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000544398091 1196548376 /nfs/dbraw/zinc/54/83/76/1196548376.db2.gz QWYDXLCEUTXEQZ-GFCCVEGCSA-N 1 1 384.414 0.646 20 5 GCBDMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc([N+](=O)[O-])c1OC ZINC000525056373 1196646909 /nfs/dbraw/zinc/64/69/09/1196646909.db2.gz SRCLAJJQWCJUFP-LBPRGKRZSA-N 1 1 394.428 0.929 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525175043 1196655189 /nfs/dbraw/zinc/65/51/89/1196655189.db2.gz COQKZZJTMXMEGL-GFCCVEGCSA-N 1 1 385.446 0.211 20 5 GCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525175043 1196655193 /nfs/dbraw/zinc/65/51/93/1196655193.db2.gz COQKZZJTMXMEGL-GFCCVEGCSA-N 1 1 385.446 0.211 20 5 GCBDMO CCn1cc(N2C(=O)C[C@H]([NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)C2=O)cn1 ZINC000447162237 1196697307 /nfs/dbraw/zinc/69/73/07/1196697307.db2.gz GTPSDLFWCNBFCV-AWEZNQCLSA-N 1 1 387.400 0.977 20 5 GCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452366641 1197056239 /nfs/dbraw/zinc/05/62/39/1197056239.db2.gz OWZXLFLEDJKDKS-KBPBESRZSA-N 1 1 382.465 0.790 20 5 GCBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452388791 1197056305 /nfs/dbraw/zinc/05/63/05/1197056305.db2.gz KNJJVTOWILGISY-CQSZACIVSA-N 1 1 379.413 0.872 20 5 GCBDMO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000520185542 1197083096 /nfs/dbraw/zinc/08/30/96/1197083096.db2.gz ZDDOVCXRYWSDHU-GFCCVEGCSA-N 1 1 382.442 0.616 20 5 GCBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000453805011 1197138397 /nfs/dbraw/zinc/13/83/97/1197138397.db2.gz JCJCVGIFGNSSBC-AWEZNQCLSA-N 1 1 394.428 0.895 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000026256290 1197333031 /nfs/dbraw/zinc/33/30/31/1197333031.db2.gz RZZSIHZJVDFMOY-UHFFFAOYSA-N 1 1 393.444 0.638 20 5 GCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000026256312 1197333306 /nfs/dbraw/zinc/33/33/06/1197333306.db2.gz XCUMXTYKCWSPIO-UHFFFAOYSA-N 1 1 377.445 0.938 20 5 GCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000127082994 1197359832 /nfs/dbraw/zinc/35/98/32/1197359832.db2.gz SZRZKCOAYMAFDL-SJORKVTESA-N 1 1 386.408 0.508 20 5 GCBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536610238 1197378362 /nfs/dbraw/zinc/37/83/62/1197378362.db2.gz KBOWRGLEAOQAHQ-STQMWFEESA-N 1 1 384.458 0.766 20 5 GCBDMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000532918942 1197421584 /nfs/dbraw/zinc/42/15/84/1197421584.db2.gz GOYIHZQBZMRAOK-UHFFFAOYSA-N 1 1 396.469 0.770 20 5 GCBDMO COC(=O)Cn1cc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 ZINC000533005193 1197426225 /nfs/dbraw/zinc/42/62/25/1197426225.db2.gz PHVHTAMAHYTPDT-UHFFFAOYSA-N 1 1 375.389 0.119 20 5 GCBDMO COC(=O)c1ccc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000459521875 1197582663 /nfs/dbraw/zinc/58/26/63/1197582663.db2.gz WHLKWZVGCKURJK-CYBMUJFWSA-N 1 1 395.441 0.823 20 5 GCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000265723524 1199020148 /nfs/dbraw/zinc/02/01/48/1199020148.db2.gz NCDCLNHMUHULQO-UONOGXRCSA-N 1 1 378.429 0.798 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000465736927 1199038990 /nfs/dbraw/zinc/03/89/90/1199038990.db2.gz LOJHGIBLAPUZQX-STQMWFEESA-N 1 1 399.473 0.655 20 5 GCBDMO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000465768085 1199059657 /nfs/dbraw/zinc/05/96/57/1199059657.db2.gz GVPIHYKAPPLNOD-CHWSQXEVSA-N 1 1 399.473 0.655 20 5 GCBDMO C[C@@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C[NH+]1CCOCC1 ZINC000265749085 1199116536 /nfs/dbraw/zinc/11/65/36/1199116536.db2.gz WPYFXRVRXMBRQA-LBPRGKRZSA-N 1 1 390.396 0.275 20 5 GCBDMO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000465991297 1199314800 /nfs/dbraw/zinc/31/48/00/1199314800.db2.gz ZANZIOLHEKXBRU-STQMWFEESA-N 1 1 399.473 0.655 20 5 GCBDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265819253 1199437827 /nfs/dbraw/zinc/43/78/27/1199437827.db2.gz OCRNAILUXKSMGC-CQSZACIVSA-N 1 1 396.469 0.912 20 5 GCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067040030 1199479148 /nfs/dbraw/zinc/47/91/48/1199479148.db2.gz IUDNFEHALNRLAU-UHFFFAOYSA-N 1 1 386.412 0.721 20 5 GCBDMO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000330778267 1199861517 /nfs/dbraw/zinc/86/15/17/1199861517.db2.gz BHHAZWJLGLHMCM-BETUJISGSA-N 1 1 384.458 0.814 20 5 GCBDMO COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000331266355 1199868691 /nfs/dbraw/zinc/86/86/91/1199868691.db2.gz CIFXCOSMGGQZGZ-AWEZNQCLSA-N 1 1 376.413 0.982 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429042958 1199897336 /nfs/dbraw/zinc/89/73/36/1199897336.db2.gz DTFMKHMUPZLYKD-AWEZNQCLSA-N 1 1 376.442 0.920 20 5 GCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429042958 1199897340 /nfs/dbraw/zinc/89/73/40/1199897340.db2.gz DTFMKHMUPZLYKD-AWEZNQCLSA-N 1 1 376.442 0.920 20 5 GCBDMO CN(C(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131331897 1199924090 /nfs/dbraw/zinc/92/40/90/1199924090.db2.gz NPSBIAFFSAHOBF-QGZVFWFLSA-N 1 1 389.456 0.972 20 5 GCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001128735559 1200263176 /nfs/dbraw/zinc/26/31/76/1200263176.db2.gz BDLHKWMOXAKCFJ-AGUYFDCRSA-N 1 1 378.433 0.300 20 5 GCBDMO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000041329527 1200383161 /nfs/dbraw/zinc/38/31/61/1200383161.db2.gz IIKWRMMZZIJRLN-INIZCTEOSA-N 1 1 377.445 0.922 20 5 GCBDMO CC[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088470 1201214447 /nfs/dbraw/zinc/21/44/47/1201214447.db2.gz YCRPGUOATGSBLL-CYBMUJFWSA-N 1 1 384.458 0.816 20 5 GCBDMO CC[N@H+]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611088145 1201215936 /nfs/dbraw/zinc/21/59/36/1201215936.db2.gz FLVTZNAIJKUVLA-GFCCVEGCSA-N 1 1 399.473 0.597 20 5 GCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522533 1201241848 /nfs/dbraw/zinc/24/18/48/1201241848.db2.gz HMMHXKFHUVWACZ-ZDUSSCGKSA-N 1 1 393.444 0.636 20 5 GCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522711 1201241978 /nfs/dbraw/zinc/24/19/78/1201241978.db2.gz WVSZZJDKFZUMMB-UHFFFAOYSA-N 1 1 379.417 0.248 20 5 GCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000728076122 1201397348 /nfs/dbraw/zinc/39/73/48/1201397348.db2.gz AWFLTFKZECQIDB-NSHDSACASA-N 1 1 379.373 0.820 20 5 GCBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000731636490 1201491173 /nfs/dbraw/zinc/49/11/73/1201491173.db2.gz MFTWWRKTPVGXSY-LBPRGKRZSA-N 1 1 381.385 0.320 20 5 GCBDMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855665 1201704148 /nfs/dbraw/zinc/70/41/48/1201704148.db2.gz MHGXGNXBGIRILG-NEPJUHHUSA-N 1 1 398.441 0.144 20 5 GCBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCC2(CC1)OCCO2 ZINC000744408062 1201841998 /nfs/dbraw/zinc/84/19/98/1201841998.db2.gz UYDQQNVYIDTQQU-CQSZACIVSA-N 1 1 391.428 0.842 20 5 GCBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCC2(CC1)OCCO2 ZINC000744408062 1201842003 /nfs/dbraw/zinc/84/20/03/1201842003.db2.gz UYDQQNVYIDTQQU-CQSZACIVSA-N 1 1 391.428 0.842 20 5 GCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000744406455 1201842181 /nfs/dbraw/zinc/84/21/81/1201842181.db2.gz DFGIDOXWCRANIU-BXUZGUMPSA-N 1 1 377.361 0.642 20 5 GCBDMO CC(C)CN1C[C@@]23C[N@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001169019560 1201931155 /nfs/dbraw/zinc/93/11/55/1201931155.db2.gz GIRFVTDZPZIWSB-ALYAQQCSSA-N 1 1 387.502 0.945 20 5 GCBDMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3C[N@H+]([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@@H]32)cn1 ZINC001169026509 1201931605 /nfs/dbraw/zinc/93/16/05/1201931605.db2.gz XZPFBLKNKORCDO-NBZXXOOGSA-N 1 1 391.472 0.932 20 5 GCBDMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021806 1201931718 /nfs/dbraw/zinc/93/17/18/1201931718.db2.gz QRZZFYFNINEBKY-CFVMTHIKSA-N 1 1 375.433 0.955 20 5 GCBDMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021806 1201931719 /nfs/dbraw/zinc/93/17/19/1201931719.db2.gz QRZZFYFNINEBKY-CFVMTHIKSA-N 1 1 375.433 0.955 20 5 GCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000767262672 1201969283 /nfs/dbraw/zinc/96/92/83/1201969283.db2.gz MQSPXPLTKOUFIJ-CQSZACIVSA-N 1 1 397.457 0.161 20 5 GCBDMO Cc1[nH+]ccn1CCOC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000771976321 1202171929 /nfs/dbraw/zinc/17/19/29/1202171929.db2.gz HTGVDLLKQMYPKV-UHFFFAOYSA-N 1 1 382.398 0.964 20 5 GCBDMO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@@H+](C)C1CC1 ZINC000804430443 1205515484 /nfs/dbraw/zinc/51/54/84/1205515484.db2.gz PMADSYJNKKZEOL-CQSZACIVSA-N 1 1 389.456 0.842 20 5 GCBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CC[C@H](CC(N)=O)C2)C1=O ZINC000808230467 1205603952 /nfs/dbraw/zinc/60/39/52/1205603952.db2.gz ZLJMFCQVAWWWKK-PIGZYNQJSA-N 1 1 375.385 0.517 20 5 GCBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CC[C@H](CC(N)=O)C2)C1=O ZINC000808230467 1205603954 /nfs/dbraw/zinc/60/39/54/1205603954.db2.gz ZLJMFCQVAWWWKK-PIGZYNQJSA-N 1 1 375.385 0.517 20 5 GCBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270802 1205604926 /nfs/dbraw/zinc/60/49/26/1205604926.db2.gz LAOVDLZQUFOHGD-WHWKNOJMSA-N 1 1 390.440 0.903 20 5 GCBDMO Cn1c(=O)ccn(CC(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1=O ZINC000813172960 1205673688 /nfs/dbraw/zinc/67/36/88/1205673688.db2.gz VBFYLOVQEULLEM-HNNXBMFYSA-N 1 1 388.380 0.273 20 5 GCBDMO Cn1c(=O)ccn(CC(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1=O ZINC000813172960 1205673689 /nfs/dbraw/zinc/67/36/89/1205673689.db2.gz VBFYLOVQEULLEM-HNNXBMFYSA-N 1 1 388.380 0.273 20 5 GCBDMO CN(C)C(=O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698708 1205727042 /nfs/dbraw/zinc/72/70/42/1205727042.db2.gz MEEKMOZLZHDLQM-UHFFFAOYSA-N 1 1 384.458 0.768 20 5 GCBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001175251068 1205736542 /nfs/dbraw/zinc/73/65/42/1205736542.db2.gz WIDPSZQGWXCRJT-CALCHBBNSA-N 1 1 376.369 0.527 20 5 GCBDMO COc1ccc(NC(=O)C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001175251068 1205736545 /nfs/dbraw/zinc/73/65/45/1205736545.db2.gz WIDPSZQGWXCRJT-CALCHBBNSA-N 1 1 376.369 0.527 20 5 GCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001175933227 1205742481 /nfs/dbraw/zinc/74/24/81/1205742481.db2.gz PNTKMJBDNXNLKQ-OAHLLOKOSA-N 1 1 380.449 0.013 20 5 GCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001175934596 1205742697 /nfs/dbraw/zinc/74/26/97/1205742697.db2.gz XSBKZIGJJBQKLW-AWEZNQCLSA-N 1 1 377.445 0.703 20 5 GCBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CS(N)(=O)=O ZINC001176610001 1205749609 /nfs/dbraw/zinc/74/96/09/1205749609.db2.gz JOQFDHHSALQHPQ-MNOVXSKESA-N 1 1 388.421 0.919 20 5 GCBDMO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001187824128 1205969386 /nfs/dbraw/zinc/96/93/86/1205969386.db2.gz OMJDOGDCXXDXGR-CABCVRRESA-N 1 1 398.485 0.881 20 5 GCBDMO