smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001164729465 720514899 /nfs/dbraw/zinc/51/48/99/720514899.db2.gz OBQMHCBCWJOFRA-NSHDSACASA-N 1 0 377.405 0.797 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164864631 720890689 /nfs/dbraw/zinc/89/06/89/720890689.db2.gz WEFKGXMJQRBZOM-CZUORRHYSA-N 1 0 394.428 0.950 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164864633 720891079 /nfs/dbraw/zinc/89/10/79/720891079.db2.gz WEFKGXMJQRBZOM-XJKSGUPXSA-N 1 0 394.428 0.950 20 5 GCBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1 ZINC001164876066 721261819 /nfs/dbraw/zinc/26/18/19/721261819.db2.gz NKCXQHOQYCGEBI-UHFFFAOYSA-N 1 0 377.445 0.997 20 5 GCBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cccc([N+](=O)[O-])n3)CC2)C1 ZINC001164869005 721264997 /nfs/dbraw/zinc/26/49/97/721264997.db2.gz IWDJSPYMRVBYKU-UHFFFAOYSA-N 1 0 377.445 0.997 20 5 GCBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892834 721382775 /nfs/dbraw/zinc/38/27/75/721382775.db2.gz TVFPNKRSNMOVOP-HKUYNNGSSA-N 1 0 391.472 0.994 20 5 GCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000823647900 946462493 /nfs/dbraw/zinc/46/24/93/946462493.db2.gz PROMMQVZKNWDGF-UHFFFAOYSA-N 1 0 383.416 0.789 20 5 GCBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825934753 947378361 /nfs/dbraw/zinc/37/83/61/947378361.db2.gz RNMSKOICWPTFMV-ZDUSSCGKSA-N 1 0 387.404 0.678 20 5 GCBDRO CCn1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000432291936 530189660 /nfs/dbraw/zinc/18/96/60/530189660.db2.gz PGDPXZHHVJXXKL-LBPRGKRZSA-N 1 0 375.451 0.590 20 5 GCBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000551872655 530254692 /nfs/dbraw/zinc/25/46/92/530254692.db2.gz JLPNZFUITJAXGN-NSHDSACASA-N 1 0 387.439 0.833 20 5 GCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000478612035 530258494 /nfs/dbraw/zinc/25/84/94/530258494.db2.gz RADQQZAEOKVKCP-SECBINFHSA-N 1 0 380.220 0.706 20 5 GCBDRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289261942 530263449 /nfs/dbraw/zinc/26/34/49/530263449.db2.gz AHYGFKUFYXQMOZ-UHFFFAOYSA-N 1 0 380.829 0.913 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC000331812106 530308835 /nfs/dbraw/zinc/30/88/35/530308835.db2.gz MOLCEBKKSGPUEZ-WDEREUQCSA-N 1 0 392.231 0.719 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000614551115 530309963 /nfs/dbraw/zinc/30/99/63/530309963.db2.gz YRVNLKDTRYBEKV-TVQRCGJNSA-N 1 0 377.394 0.740 20 5 GCBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000570445126 530319543 /nfs/dbraw/zinc/31/95/43/530319543.db2.gz XQXMUAVJCQTNPW-LBPRGKRZSA-N 1 0 391.471 0.240 20 5 GCBDRO CN(CC(=O)N[C@H](CC[NH3+])C(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000563116264 530340753 /nfs/dbraw/zinc/34/07/53/530340753.db2.gz COPBUMGVPXFGAN-LLVKDONJSA-N 1 0 380.373 0.314 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000564950649 530351111 /nfs/dbraw/zinc/35/11/11/530351111.db2.gz JPFVKALHUYDVOU-LLVKDONJSA-N 1 0 391.165 0.999 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCO1 ZINC000274726541 530483100 /nfs/dbraw/zinc/48/31/00/530483100.db2.gz CCRIGIQKIYLNSL-SECBINFHSA-N 1 0 391.165 0.999 20 5 GCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592013 530500484 /nfs/dbraw/zinc/50/04/84/530500484.db2.gz QJBIQMHCSWDTNO-NWDGAFQWSA-N 1 0 383.202 0.741 20 5 GCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592015 530500703 /nfs/dbraw/zinc/50/07/03/530500703.db2.gz QJBIQMHCSWDTNO-VXGBXAGGSA-N 1 0 383.202 0.741 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000545160340 530653106 /nfs/dbraw/zinc/65/31/06/530653106.db2.gz QBPNZEBIVRCWSV-LBPRGKRZSA-N 1 0 394.247 0.702 20 5 GCBDRO CSCC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269042264 530696104 /nfs/dbraw/zinc/69/61/04/530696104.db2.gz AAUOTMMWGUYLFV-GFCCVEGCSA-N 1 0 376.460 0.070 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000592982766 530789208 /nfs/dbraw/zinc/78/92/08/530789208.db2.gz HFQHEAXVIURCIM-SNVBAGLBSA-N 1 0 393.263 0.621 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592982990 530789337 /nfs/dbraw/zinc/78/93/37/530789337.db2.gz QITQLUAVEDTRDH-UHFFFAOYSA-N 1 0 376.410 0.268 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522000902 530851469 /nfs/dbraw/zinc/85/14/69/530851469.db2.gz YZBFIJJQQRNFLK-JTQLQIEISA-N 1 0 382.364 0.796 20 5 GCBDRO [NH3+]C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594451309 530864781 /nfs/dbraw/zinc/86/47/81/530864781.db2.gz KFGKFLVSPAHKMZ-JTQLQIEISA-N 1 0 384.336 0.269 20 5 GCBDRO CCn1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000532853309 530899569 /nfs/dbraw/zinc/89/95/69/530899569.db2.gz SLFFCRDKOUKILD-GFCCVEGCSA-N 1 0 375.451 0.182 20 5 GCBDRO NC(=O)c1csc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000532870184 530899594 /nfs/dbraw/zinc/89/95/94/530899594.db2.gz HAPPZHFRFRPIEE-UHFFFAOYSA-N 1 0 384.439 0.823 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])n1 ZINC000533174689 530900942 /nfs/dbraw/zinc/90/09/42/530900942.db2.gz APNBDPSVWILWIM-UHFFFAOYSA-N 1 0 375.451 0.279 20 5 GCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000370420259 530888033 /nfs/dbraw/zinc/88/80/33/530888033.db2.gz GNRSCYJBHNBWFM-QMMMGPOBSA-N 1 0 380.220 0.706 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000443285304 530896089 /nfs/dbraw/zinc/89/60/89/530896089.db2.gz FCTSKIXMOSJZTO-UHFFFAOYSA-N 1 0 375.447 0.464 20 5 GCBDRO Cc1c(NC(=O)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000415757234 530916043 /nfs/dbraw/zinc/91/60/43/530916043.db2.gz GCJLOQHTACZEMB-GDGBQDQQSA-N 1 0 383.202 0.938 20 5 GCBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000331786066 530919684 /nfs/dbraw/zinc/91/96/84/530919684.db2.gz FMKTURNBGPXTLI-WDEREUQCSA-N 1 0 392.231 0.719 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000271723641 530925987 /nfs/dbraw/zinc/92/59/87/530925987.db2.gz QSAHMSSLFNYJEF-LLVKDONJSA-N 1 0 377.444 0.040 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000271723644 530926033 /nfs/dbraw/zinc/92/60/33/530926033.db2.gz QSAHMSSLFNYJEF-NSHDSACASA-N 1 0 377.444 0.040 20 5 GCBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262828935 531072630 /nfs/dbraw/zinc/07/26/30/531072630.db2.gz UOXRODCMOPDMBA-NSHDSACASA-N 1 0 388.471 0.084 20 5 GCBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737880002 598675121 /nfs/dbraw/zinc/67/51/21/598675121.db2.gz YAHKAEVFCINUPM-UHFFFAOYSA-N 1 0 386.416 0.519 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736532384 598755378 /nfs/dbraw/zinc/75/53/78/598755378.db2.gz CLIHEWWGJIUFRS-UHFFFAOYSA-N 1 0 388.432 0.765 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823651918 599568373 /nfs/dbraw/zinc/56/83/73/599568373.db2.gz RLVRIPVBCSKFMZ-INIZCTEOSA-N 1 0 384.400 0.997 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000822860320 606707383 /nfs/dbraw/zinc/70/73/83/606707383.db2.gz RGNPENRLUHUJLT-JTQLQIEISA-N 1 0 375.393 0.169 20 5 GCBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821622311 607125969 /nfs/dbraw/zinc/12/59/69/607125969.db2.gz YTWXVLSBMIUPIK-VIFPVBQESA-N 1 0 388.417 0.864 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826390423 607838470 /nfs/dbraw/zinc/83/84/70/607838470.db2.gz ZHLOYFFZGBTRBG-HNNXBMFYSA-N 1 0 386.416 0.693 20 5 GCBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1-c1nn[nH]n1 ZINC000826077484 608020435 /nfs/dbraw/zinc/02/04/35/608020435.db2.gz JPISOXIHFCLESV-UHFFFAOYSA-N 1 0 388.348 0.003 20 5 GCBDRO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824999953 608150839 /nfs/dbraw/zinc/15/08/39/608150839.db2.gz LFOQHXURBSNTPF-OCCSQVGLSA-N 1 0 387.448 0.632 20 5 GCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825866098 608339338 /nfs/dbraw/zinc/33/93/38/608339338.db2.gz QWKRHXRYRGIFDC-UHFFFAOYSA-N 1 0 399.415 0.712 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000826389519 608436219 /nfs/dbraw/zinc/43/62/19/608436219.db2.gz AELLZGXWUSXQOH-LBPRGKRZSA-N 1 0 387.404 0.088 20 5 GCBDRO O=[N+]([O-])c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826497991 609213089 /nfs/dbraw/zinc/21/30/89/609213089.db2.gz CCBFAPQSCHEOLK-UHFFFAOYSA-N 1 0 389.416 0.438 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1I ZINC000701034554 640123308 /nfs/dbraw/zinc/12/33/08/640123308.db2.gz MRPCNZBSNOSFIV-SECBINFHSA-N 1 0 391.165 0.918 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768863447 640763419 /nfs/dbraw/zinc/76/34/19/640763419.db2.gz VYTUIIZMLORANO-GFCCVEGCSA-N 1 0 388.471 0.583 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1Br ZINC000123104905 641439075 /nfs/dbraw/zinc/43/90/75/641439075.db2.gz JWZXTQHIDLVCRR-UHFFFAOYSA-N 1 0 393.263 0.541 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=S)NCC[NH+](C)C ZINC000817566287 641882737 /nfs/dbraw/zinc/88/27/37/641882737.db2.gz JRFOQRYUSCBNGD-UHFFFAOYSA-N 1 0 389.503 0.241 20 5 GCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000842824751 642353396 /nfs/dbraw/zinc/35/33/96/642353396.db2.gz AGDZCGRMDQNDRM-UHFFFAOYSA-N 1 0 376.391 0.287 20 5 GCBDRO CN1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000844225919 642398222 /nfs/dbraw/zinc/39/82/22/642398222.db2.gz APIOMDMBDBIZDM-JTQLQIEISA-N 1 0 393.263 0.621 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000422985867 1192172600 /nfs/dbraw/zinc/17/26/00/1192172600.db2.gz ASADVTDUPOCGLG-LJQANCHMSA-N 1 0 387.440 0.598 20 5 GCBDRO CN(Cc1nccn1C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000125705477 1192254292 /nfs/dbraw/zinc/25/42/92/1192254292.db2.gz QYOATGNIKFURJY-UHFFFAOYSA-N 1 0 396.473 0.805 20 5 GCBDRO C[NH+](C)CCCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264917068 1192265514 /nfs/dbraw/zinc/26/55/14/1192265514.db2.gz OXCPPGXYKNNFIT-UHFFFAOYSA-N 1 0 387.462 0.502 20 5 GCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000568619540 1192319517 /nfs/dbraw/zinc/31/95/17/1192319517.db2.gz DHDUCRPWBDGJFA-INIZCTEOSA-N 1 0 395.456 0.806 20 5 GCBDRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000500442800 1192322462 /nfs/dbraw/zinc/32/24/62/1192322462.db2.gz OXUYKLGNXDUBIJ-UHFFFAOYSA-N 1 0 378.433 0.555 20 5 GCBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCOCC1 ZINC000265044096 1192351421 /nfs/dbraw/zinc/35/14/21/1192351421.db2.gz RFDIAHHXZAZFHS-UHFFFAOYSA-N 1 0 385.442 0.839 20 5 GCBDRO COc1ccc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000106267797 1192363030 /nfs/dbraw/zinc/36/30/30/1192363030.db2.gz XXPUULZYPQAGNG-UHFFFAOYSA-N 1 0 386.474 0.909 20 5 GCBDRO Cc1c(CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000585690255 1192370652 /nfs/dbraw/zinc/37/06/52/1192370652.db2.gz NOCBTSHQICOCOS-MRXNPFEDSA-N 1 0 392.456 0.992 20 5 GCBDRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000500448799 1192414329 /nfs/dbraw/zinc/41/43/29/1192414329.db2.gz PQOMGEONNINSLR-UHFFFAOYSA-N 1 0 389.456 0.844 20 5 GCBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570839403 1192420397 /nfs/dbraw/zinc/42/03/97/1192420397.db2.gz HLZDZUHFDRJFFO-OAHLLOKOSA-N 1 0 389.456 0.551 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279006234 1192434289 /nfs/dbraw/zinc/43/42/89/1192434289.db2.gz DLDVAQSTEJLQDP-KRWDZBQOSA-N 1 0 375.385 0.906 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279062436 1192451862 /nfs/dbraw/zinc/45/18/62/1192451862.db2.gz ISBAUHTVDCJQJP-HNNXBMFYSA-N 1 0 386.474 0.642 20 5 GCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000265133102 1192475164 /nfs/dbraw/zinc/47/51/64/1192475164.db2.gz SBFNNBLORPRNFJ-LBPRGKRZSA-N 1 0 384.458 0.364 20 5 GCBDRO C[NH+]1CCN(CCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000279379645 1192534442 /nfs/dbraw/zinc/53/44/42/1192534442.db2.gz UUPOHAWIACLIFI-UHFFFAOYSA-N 1 0 391.428 0.647 20 5 GCBDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279585782 1192559904 /nfs/dbraw/zinc/55/99/04/1192559904.db2.gz CXWDYYAOSSYXSU-QRTARXTBSA-N 1 0 395.439 0.430 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418783220 1192644818 /nfs/dbraw/zinc/64/48/18/1192644818.db2.gz OJYSQVQYXKOGGB-GXTWGEPZSA-N 1 0 391.428 0.086 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512389587 1192642775 /nfs/dbraw/zinc/64/27/75/1192642775.db2.gz OGCPKQHTLMVWRI-KGLIPLIRSA-N 1 0 382.465 0.790 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512395372 1192645200 /nfs/dbraw/zinc/64/52/00/1192645200.db2.gz UCIVRLSTFHCSOG-ZDUSSCGKSA-N 1 0 392.412 0.283 20 5 GCBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000419017140 1192723287 /nfs/dbraw/zinc/72/32/87/1192723287.db2.gz GQKUGPQZNNMPLQ-CYBMUJFWSA-N 1 0 394.428 0.481 20 5 GCBDRO CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000262585336 1192743264 /nfs/dbraw/zinc/74/32/64/1192743264.db2.gz UPWOJNDLGUVTQJ-UKRRQHHQSA-N 1 0 396.469 0.816 20 5 GCBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000573487842 1192904940 /nfs/dbraw/zinc/90/49/40/1192904940.db2.gz HKVBLKHHKRDDTM-CQSZACIVSA-N 1 0 396.469 0.742 20 5 GCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274514176 1184083465 /nfs/dbraw/zinc/08/34/65/1184083465.db2.gz YJASUHGDAKRESG-OAHLLOKOSA-N 1 0 391.472 0.857 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000274697872 1184194595 /nfs/dbraw/zinc/19/45/95/1184194595.db2.gz XGZOWEUNTADUEC-CYBMUJFWSA-N 1 0 386.474 0.908 20 5 GCBDRO Cc1c(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274973001 1184443541 /nfs/dbraw/zinc/44/35/41/1184443541.db2.gz IOPJIHDDRRQAJV-LBPRGKRZSA-N 1 0 391.384 0.848 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000275073159 1184492351 /nfs/dbraw/zinc/49/23/51/1184492351.db2.gz LBLOGDZFRPWAHF-NSHDSACASA-N 1 0 390.437 0.657 20 5 GCBDRO CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)CC1 ZINC000888997534 1184496820 /nfs/dbraw/zinc/49/68/20/1184496820.db2.gz GCDOBHPSKRNJDJ-UHFFFAOYSA-N 1 0 391.428 0.026 20 5 GCBDRO O=C1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001167103873 1184501654 /nfs/dbraw/zinc/50/16/54/1184501654.db2.gz IRYBREBKPXQOBJ-UHFFFAOYSA-N 1 0 397.439 0.643 20 5 GCBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000598602806 1184510762 /nfs/dbraw/zinc/51/07/62/1184510762.db2.gz VNRKUNVROBVNOM-CQSZACIVSA-N 1 0 378.433 0.380 20 5 GCBDRO Cn1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000510201270 1184609653 /nfs/dbraw/zinc/60/96/53/1184609653.db2.gz QEMSIEZDCHVPSK-HNNXBMFYSA-N 1 0 387.440 0.952 20 5 GCBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275356821 1184626854 /nfs/dbraw/zinc/62/68/54/1184626854.db2.gz WYNUFKRTIOHBIG-CYBMUJFWSA-N 1 0 399.473 0.466 20 5 GCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001167229651 1184649450 /nfs/dbraw/zinc/64/94/50/1184649450.db2.gz UWNPWFKXCANSLU-OAGQMLSPSA-N 1 0 390.396 0.611 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275424418 1184663246 /nfs/dbraw/zinc/66/32/46/1184663246.db2.gz DHRRGBZEVPYRAX-GFCCVEGCSA-N 1 0 386.474 0.784 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275458353 1184675732 /nfs/dbraw/zinc/67/57/32/1184675732.db2.gz PDIBOKMZCWRDNJ-AWEZNQCLSA-N 1 0 392.456 0.937 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275528237 1184699215 /nfs/dbraw/zinc/69/92/15/1184699215.db2.gz FHKLDNFQASOKMX-AWEZNQCLSA-N 1 0 392.456 0.937 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000579912853 1184721036 /nfs/dbraw/zinc/72/10/36/1184721036.db2.gz DUJIEFFTCSEOQL-MSOLQXFVSA-N 1 0 375.429 0.815 20 5 GCBDRO CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599622472 1184777388 /nfs/dbraw/zinc/77/73/88/1184777388.db2.gz KGHIZZDLAIYEMU-MRXNPFEDSA-N 1 0 394.428 0.005 20 5 GCBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H](O)CN1CCOCC1 ZINC000275653372 1184866169 /nfs/dbraw/zinc/86/61/69/1184866169.db2.gz UKHGCOWEBYGIIG-CQSZACIVSA-N 1 0 384.408 0.687 20 5 GCBDRO C[NH+](C)CC(C)(C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000458021950 1184885056 /nfs/dbraw/zinc/88/50/56/1184885056.db2.gz URYQATLBWLNHIN-UHFFFAOYSA-N 1 0 387.462 0.513 20 5 GCBDRO Cc1ccc([C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)N2CCOCC2)o1 ZINC000610335639 1184972900 /nfs/dbraw/zinc/97/29/00/1184972900.db2.gz GUPRECAYIDVCIP-JKSUJKDBSA-N 1 0 379.417 0.717 20 5 GCBDRO Nc1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000275757115 1185028469 /nfs/dbraw/zinc/02/84/69/1185028469.db2.gz JZLHFVHYQRRDOM-UHFFFAOYSA-N 1 0 391.409 0.719 20 5 GCBDRO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000560961106 1185065140 /nfs/dbraw/zinc/06/51/40/1185065140.db2.gz XTIMNKAUQIBRFV-UHFFFAOYSA-N 1 0 384.396 0.736 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000610426672 1185172262 /nfs/dbraw/zinc/17/22/62/1185172262.db2.gz AGCTZFSKPQNPJP-SOUVJXGZSA-N 1 0 394.476 0.885 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261626604 1185216659 /nfs/dbraw/zinc/21/66/59/1185216659.db2.gz AMMQXOXAVBKTTK-BBRMVZONSA-N 1 0 396.469 0.958 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261789682 1185258122 /nfs/dbraw/zinc/25/81/22/1185258122.db2.gz IABCDZNVUAMSGZ-KGLIPLIRSA-N 1 0 378.433 0.207 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNC(=O)CC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261801178 1185259878 /nfs/dbraw/zinc/25/98/78/1185259878.db2.gz FFWBCZWHYXOTFZ-LBPRGKRZSA-N 1 0 384.458 0.916 20 5 GCBDRO C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261842047 1185274192 /nfs/dbraw/zinc/27/41/92/1185274192.db2.gz PQCZLRJYQQFKFP-JSGCOSHPSA-N 1 0 384.458 0.801 20 5 GCBDRO [NH3+][C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000261889730 1185280581 /nfs/dbraw/zinc/28/05/81/1185280581.db2.gz BWGWDEPWHOJABE-CJNGLKHVSA-N 1 0 396.469 0.849 20 5 GCBDRO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261895845 1185282062 /nfs/dbraw/zinc/28/20/62/1185282062.db2.gz XTBSBCLXSFONMF-CQSZACIVSA-N 1 0 396.469 0.817 20 5 GCBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580711001 1185311744 /nfs/dbraw/zinc/31/17/44/1185311744.db2.gz AEXQDQUPCFYDDH-LBPRGKRZSA-N 1 0 382.442 0.568 20 5 GCBDRO CC(C)(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000262134861 1185381955 /nfs/dbraw/zinc/38/19/55/1185381955.db2.gz WTODCQOALTUCQA-NSHDSACASA-N 1 0 378.355 0.479 20 5 GCBDRO COCC[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000262158685 1185382943 /nfs/dbraw/zinc/38/29/43/1185382943.db2.gz SIKRVEPNCYVQEC-MRXNPFEDSA-N 1 0 378.429 0.860 20 5 GCBDRO CC(C)(CO)[NH+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000610481060 1185504785 /nfs/dbraw/zinc/50/47/85/1185504785.db2.gz FVIKDYSWVMXOGM-UHFFFAOYSA-N 1 0 380.401 0.651 20 5 GCBDRO COCCCS(=O)(=O)NCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000477068840 1185600298 /nfs/dbraw/zinc/60/02/98/1185600298.db2.gz PUUJKDXHZQDVQG-ZDUSSCGKSA-N 1 0 387.462 0.432 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430601584 1185685606 /nfs/dbraw/zinc/68/56/06/1185685606.db2.gz DPOQEEYODITTKL-LBPRGKRZSA-N 1 0 379.417 0.294 20 5 GCBDRO C[C@H](O)C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)CO ZINC000276244481 1185706304 /nfs/dbraw/zinc/70/63/04/1185706304.db2.gz VDUSVGXQMCVCAL-GJZGRUSLSA-N 1 0 380.445 0.307 20 5 GCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000276286081 1185719526 /nfs/dbraw/zinc/71/95/26/1185719526.db2.gz YSISXBDJKPPMSP-LBPRGKRZSA-N 1 0 387.414 0.333 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262279228 1185727243 /nfs/dbraw/zinc/72/72/43/1185727243.db2.gz WVPNNHWYULMZOL-LLVKDONJSA-N 1 0 386.430 0.031 20 5 GCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262331589 1185774136 /nfs/dbraw/zinc/77/41/36/1185774136.db2.gz GTDHNWZODWPEPK-BLLLJJGKSA-N 1 0 375.429 0.897 20 5 GCBDRO C[C@@H](C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000610541556 1185913990 /nfs/dbraw/zinc/91/39/90/1185913990.db2.gz FVAGWINVPYNAMJ-LBPRGKRZSA-N 1 0 384.458 0.597 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000610575713 1186022955 /nfs/dbraw/zinc/02/29/55/1186022955.db2.gz AUUAJWWERAVWNK-UHFFFAOYSA-N 1 0 394.428 0.391 20 5 GCBDRO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430775214 1186028695 /nfs/dbraw/zinc/02/86/95/1186028695.db2.gz GFKMJMXNLMIPSW-LBPRGKRZSA-N 1 0 386.416 0.832 20 5 GCBDRO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000535710626 1186203339 /nfs/dbraw/zinc/20/33/39/1186203339.db2.gz UXAFSQSLPAMJCO-UONOGXRCSA-N 1 0 383.474 0.636 20 5 GCBDRO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262413491 1186293999 /nfs/dbraw/zinc/29/39/99/1186293999.db2.gz YHAIIRFEZCCLQL-CQDKDKBSSA-N 1 0 382.442 0.411 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609383491 1186325409 /nfs/dbraw/zinc/32/54/09/1186325409.db2.gz QDYYMSJFTLOUFA-OAHLLOKOSA-N 1 0 375.429 0.995 20 5 GCBDRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301554 1186490242 /nfs/dbraw/zinc/49/02/42/1186490242.db2.gz KWMUHNIWPQRXCQ-GJZGRUSLSA-N 1 0 390.440 0.979 20 5 GCBDRO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301556 1186490289 /nfs/dbraw/zinc/49/02/89/1186490289.db2.gz KWMUHNIWPQRXCQ-LSDHHAIUSA-N 1 0 390.440 0.979 20 5 GCBDRO Cc1c(NC(=O)[C@H](C)N2CCN(C(=O)C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000127547425 1186514644 /nfs/dbraw/zinc/51/46/44/1186514644.db2.gz DTZLKBDUDRWLFJ-AWEZNQCLSA-N 1 0 377.445 0.936 20 5 GCBDRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000159119338 1186558188 /nfs/dbraw/zinc/55/81/88/1186558188.db2.gz XPIMWVVHRDXILR-UHFFFAOYSA-N 1 0 397.461 0.574 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001648917232 1186639609 /nfs/dbraw/zinc/63/96/09/1186639609.db2.gz CRDRTOBIAUUESL-MAZHCROVSA-N 1 0 396.469 0.720 20 5 GCBDRO C[C@@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000582927861 1186732161 /nfs/dbraw/zinc/73/21/61/1186732161.db2.gz ABZUILZGWKAWHL-LBPRGKRZSA-N 1 0 397.863 0.730 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[N+](=O)[O-])CC1 ZINC000178729933 1186737453 /nfs/dbraw/zinc/73/74/53/1186737453.db2.gz MANVOCFIQHYZFH-HNNXBMFYSA-N 1 0 375.429 0.745 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583452041 1186857736 /nfs/dbraw/zinc/85/77/36/1186857736.db2.gz QPKBMLKZMPXUMI-UHTWSYAYSA-N 1 0 377.401 0.174 20 5 GCBDRO C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000458694206 1186947677 /nfs/dbraw/zinc/94/76/77/1186947677.db2.gz MWLQISRLYHKQAQ-UHFFFAOYSA-N 1 0 393.444 0.640 20 5 GCBDRO C[C@@H]1C[N@H+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278472324 1186955128 /nfs/dbraw/zinc/95/51/28/1186955128.db2.gz JXNBBPCDJWLGAK-CQSZACIVSA-N 1 0 378.429 0.942 20 5 GCBDRO CN(C)C(=O)CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000584227438 1187017487 /nfs/dbraw/zinc/01/74/87/1187017487.db2.gz QUGNKVAHHBTLRI-MRXNPFEDSA-N 1 0 394.472 0.867 20 5 GCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000584341160 1187036437 /nfs/dbraw/zinc/03/64/37/1187036437.db2.gz AZCNIOOZBDEJQH-MELADBBJSA-N 1 0 376.413 0.594 20 5 GCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000584341159 1187036693 /nfs/dbraw/zinc/03/66/93/1187036693.db2.gz AZCNIOOZBDEJQH-HZSPNIEDSA-N 1 0 376.413 0.594 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1 ZINC000431590376 1187139558 /nfs/dbraw/zinc/13/95/58/1187139558.db2.gz RRLUYEFPMCHCHZ-UHFFFAOYSA-N 1 0 384.458 0.865 20 5 GCBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364220952 1187425419 /nfs/dbraw/zinc/42/54/19/1187425419.db2.gz ZYLCXZVNQIXQQR-CXAGYDPISA-N 1 0 394.453 0.427 20 5 GCBDRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000410886753 1187450726 /nfs/dbraw/zinc/45/07/26/1187450726.db2.gz OPWNTWHOSVVGAG-UHFFFAOYSA-N 1 0 380.449 0.753 20 5 GCBDRO COC(=O)c1cnc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365076125 1187484913 /nfs/dbraw/zinc/48/49/13/1187484913.db2.gz DMNKRHALSKRPHZ-UHFFFAOYSA-N 1 0 380.401 0.440 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236626117 1187502806 /nfs/dbraw/zinc/50/28/06/1187502806.db2.gz IOZPZGLPJBFEKK-OAHLLOKOSA-N 1 0 375.429 0.730 20 5 GCBDRO COC(=O)[C@H]1CN(C)CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000411761620 1187511480 /nfs/dbraw/zinc/51/14/80/1187511480.db2.gz SCEYNWOKDSYEFH-ZDUSSCGKSA-N 1 0 392.412 0.713 20 5 GCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000365339269 1187515818 /nfs/dbraw/zinc/51/58/18/1187515818.db2.gz KMMMPYYWEVOGFI-INIZCTEOSA-N 1 0 375.429 0.772 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCC1 ZINC000066360841 1187673483 /nfs/dbraw/zinc/67/34/83/1187673483.db2.gz RYTBNNKBVDOZML-UHFFFAOYSA-N 1 0 399.473 0.658 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000468484202 1187694148 /nfs/dbraw/zinc/69/41/48/1187694148.db2.gz OPBRFBLKPKKIQT-CYBMUJFWSA-N 1 0 395.464 0.060 20 5 GCBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000580768893 1187699684 /nfs/dbraw/zinc/69/96/84/1187699684.db2.gz BTASBSQFZOCZCM-ZDUSSCGKSA-N 1 0 381.410 0.772 20 5 GCBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1OC ZINC000581735523 1187718026 /nfs/dbraw/zinc/71/80/26/1187718026.db2.gz STXNXXFMITYCHV-KBPBESRZSA-N 1 0 383.401 0.376 20 5 GCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)NCC[NH+](C)C ZINC000581736213 1187718131 /nfs/dbraw/zinc/71/81/31/1187718131.db2.gz OSXSTWIFGUCKOQ-LLVKDONJSA-N 1 0 384.458 0.475 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262829 1187732929 /nfs/dbraw/zinc/73/29/29/1187732929.db2.gz BACDBJNOGXCUFF-LSDHHAIUSA-N 1 0 376.413 0.612 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000582601268 1187758882 /nfs/dbraw/zinc/75/88/82/1187758882.db2.gz ZFDJUYYFTHKHMM-VXGBXAGGSA-N 1 0 381.458 0.281 20 5 GCBDRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000582660296 1187771252 /nfs/dbraw/zinc/77/12/52/1187771252.db2.gz FHKJOHMGVRVLTK-WMZOPIPTSA-N 1 0 387.440 0.976 20 5 GCBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472618100 1187916126 /nfs/dbraw/zinc/91/61/26/1187916126.db2.gz VGHJEZVWJASIRX-HNNXBMFYSA-N 1 0 382.392 0.881 20 5 GCBDRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472618105 1187916449 /nfs/dbraw/zinc/91/64/49/1187916449.db2.gz VHPILTZVKPRGKJ-UHFFFAOYSA-N 1 0 381.408 0.815 20 5 GCBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000189443796 1187942015 /nfs/dbraw/zinc/94/20/15/1187942015.db2.gz YASOGWSAYRGZDD-ZDUSSCGKSA-N 1 0 385.490 0.928 20 5 GCBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415367146 1188062010 /nfs/dbraw/zinc/06/20/10/1188062010.db2.gz GXYMYCUPULOWGB-LBPRGKRZSA-N 1 0 377.401 0.155 20 5 GCBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000415370682 1188062689 /nfs/dbraw/zinc/06/26/89/1188062689.db2.gz OIWPMKWLKZRTOK-LBPRGKRZSA-N 1 0 377.401 0.155 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[C@@H]1[NH3+] ZINC000415439944 1188081709 /nfs/dbraw/zinc/08/17/09/1188081709.db2.gz DTUOXMSUSLXIMB-MNOVXSKESA-N 1 0 378.385 0.890 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415453516 1188083999 /nfs/dbraw/zinc/08/39/99/1188083999.db2.gz LONSVJRTKKOEGM-SKDRFNHKSA-N 1 0 378.385 0.824 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000415531802 1188099795 /nfs/dbraw/zinc/09/97/95/1188099795.db2.gz VIWLXBIAMLJHNW-MNOVXSKESA-N 1 0 378.385 0.890 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)NCCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000290324923 1188107155 /nfs/dbraw/zinc/10/71/55/1188107155.db2.gz AAZYFPNYMUVEHA-UHFFFAOYSA-N 1 0 379.461 0.633 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415567654 1188107732 /nfs/dbraw/zinc/10/77/32/1188107732.db2.gz NRTPMOSNWCLFHR-NXEZZACHSA-N 1 0 378.385 0.837 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415567663 1188108017 /nfs/dbraw/zinc/10/80/17/1188108017.db2.gz NRTPMOSNWCLFHR-ZJUUUORDSA-N 1 0 378.385 0.837 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C)c([N+](=O)[O-])c1 ZINC000415598629 1188117988 /nfs/dbraw/zinc/11/79/88/1188117988.db2.gz VWDWHXJFCKDLTO-SFHVURJKSA-N 1 0 390.396 0.840 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)c([N+](=O)[O-])c1 ZINC000415598626 1188118031 /nfs/dbraw/zinc/11/80/31/1188118031.db2.gz VWDWHXJFCKDLTO-GOSISDBHSA-N 1 0 390.396 0.840 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415727638 1188152622 /nfs/dbraw/zinc/15/26/22/1188152622.db2.gz QBUVVPBGWRFGEM-CQSZACIVSA-N 1 0 391.428 0.438 20 5 GCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415732317 1188153542 /nfs/dbraw/zinc/15/35/42/1188153542.db2.gz YEBRFZIILMEETR-LBPRGKRZSA-N 1 0 381.820 0.693 20 5 GCBDRO CCn1cc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000472947119 1189450617 /nfs/dbraw/zinc/45/06/17/1189450617.db2.gz HHGJJONIYGZIIB-UHFFFAOYSA-N 1 0 388.494 0.506 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378319356 1189473647 /nfs/dbraw/zinc/47/36/47/1189473647.db2.gz RLJZETJJTIVBLM-GDBMZVCRSA-N 1 0 378.477 0.974 20 5 GCBDRO CN(CC(=O)N1CCC(CC[NH3+])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566406116 1189610591 /nfs/dbraw/zinc/61/05/91/1189610591.db2.gz HUZZNWQLNWZKRR-UHFFFAOYSA-N 1 0 384.458 0.803 20 5 GCBDRO CN1CCN(C(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)[C@@H](C[NH3+])C1 ZINC000162348800 1189623127 /nfs/dbraw/zinc/62/31/27/1189623127.db2.gz BZFXRWMQNJELIA-ZDUSSCGKSA-N 1 0 377.401 0.384 20 5 GCBDRO C[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)(N2CCOCC2)CC1 ZINC000412455900 1189628987 /nfs/dbraw/zinc/62/89/87/1189628987.db2.gz ALJSZBJBLDQTQS-UHFFFAOYSA-N 1 0 395.435 0.843 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417264840 1189638519 /nfs/dbraw/zinc/63/85/19/1189638519.db2.gz AFVZXJRFKARASJ-SWLSCSKDSA-N 1 0 399.473 0.690 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417283383 1189639897 /nfs/dbraw/zinc/63/98/97/1189639897.db2.gz RCKCPUZESJQRJG-ZDUSSCGKSA-N 1 0 399.473 0.644 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417285772 1189639987 /nfs/dbraw/zinc/63/99/87/1189639987.db2.gz UWNWSISMCVBVSN-VXGBXAGGSA-N 1 0 385.446 0.442 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417285218 1189640265 /nfs/dbraw/zinc/64/02/65/1189640265.db2.gz TZBBGHWHSUKQDS-ZDUSSCGKSA-N 1 0 385.446 0.267 20 5 GCBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417284339 1189640308 /nfs/dbraw/zinc/64/03/08/1189640308.db2.gz SEGULNTZOHMMNE-UHFFFAOYSA-N 1 0 387.462 0.499 20 5 GCBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417285339 1189640317 /nfs/dbraw/zinc/64/03/17/1189640317.db2.gz UJINRPVTJRLQLO-HNNXBMFYSA-N 1 0 385.446 0.253 20 5 GCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417288187 1189640645 /nfs/dbraw/zinc/64/06/45/1189640645.db2.gz XXWBOOOYMUXIEW-NWDGAFQWSA-N 1 0 385.446 0.265 20 5 GCBDRO C[NH+]1CCC(CNC(=O)COc2cccc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000412480730 1189642248 /nfs/dbraw/zinc/64/22/48/1189642248.db2.gz TWEPRMOLAHURFN-UHFFFAOYSA-N 1 0 392.456 0.886 20 5 GCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417306986 1189643992 /nfs/dbraw/zinc/64/39/92/1189643992.db2.gz BFWQJFDDVTYDRD-CQSZACIVSA-N 1 0 399.473 0.657 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417328809 1189645689 /nfs/dbraw/zinc/64/56/89/1189645689.db2.gz SQEYQQZNWBWPHP-STQMWFEESA-N 1 0 399.473 0.690 20 5 GCBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417326268 1189647491 /nfs/dbraw/zinc/64/74/91/1189647491.db2.gz ROIOPTZFJOQAFR-RYUDHWBXSA-N 1 0 385.446 0.300 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417326269 1189647874 /nfs/dbraw/zinc/64/78/74/1189647874.db2.gz ROIOPTZFJOQAFR-VXGBXAGGSA-N 1 0 385.446 0.300 20 5 GCBDRO [NH3+]C1CCC(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417345381 1189651606 /nfs/dbraw/zinc/65/16/06/1189651606.db2.gz UFIQXAJJOGXFEN-UHFFFAOYSA-N 1 0 385.446 0.442 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417347449 1189651851 /nfs/dbraw/zinc/65/18/51/1189651851.db2.gz XFFKJODELWFGOJ-NEPJUHHUSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000584776169 1189659515 /nfs/dbraw/zinc/65/95/15/1189659515.db2.gz KUNLXDHYSRCBPO-PXAZEXFGSA-N 1 0 390.396 0.700 20 5 GCBDRO COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482621 1189669640 /nfs/dbraw/zinc/66/96/40/1189669640.db2.gz VQHAPFLHBMIIHJ-PBHICJAKSA-N 1 0 380.401 0.301 20 5 GCBDRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000584834274 1189685743 /nfs/dbraw/zinc/68/57/43/1189685743.db2.gz HHYBBMKSCZUULY-HOCLYGCPSA-N 1 0 389.412 0.853 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000417679602 1189694239 /nfs/dbraw/zinc/69/42/39/1189694239.db2.gz LVECIFQVWQPAHI-QWHCGFSZSA-N 1 0 399.473 0.642 20 5 GCBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417675416 1189695065 /nfs/dbraw/zinc/69/50/65/1189695065.db2.gz BXPOEVWOJFYYMG-RYUDHWBXSA-N 1 0 385.446 0.300 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000417675408 1189695150 /nfs/dbraw/zinc/69/51/50/1189695150.db2.gz BWPKEVVYSXWROS-OLZOCXBDSA-N 1 0 399.473 0.499 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417675414 1189695507 /nfs/dbraw/zinc/69/55/07/1189695507.db2.gz BXPOEVWOJFYYMG-NEPJUHHUSA-N 1 0 385.446 0.300 20 5 GCBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417674844 1189695532 /nfs/dbraw/zinc/69/55/32/1189695532.db2.gz AXOZZBWUOBBEHE-RYUDHWBXSA-N 1 0 385.446 0.265 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417678251 1189696169 /nfs/dbraw/zinc/69/61/69/1189696169.db2.gz JGTSLNPMFDVEFL-QWHCGFSZSA-N 1 0 397.457 0.124 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417690936 1189696564 /nfs/dbraw/zinc/69/65/64/1189696564.db2.gz JDNWSNGCJFVJJE-STQMWFEESA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690109 1189696658 /nfs/dbraw/zinc/69/66/58/1189696658.db2.gz HEYLPRXTBKDLKO-CHWSQXEVSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417688786 1189696713 /nfs/dbraw/zinc/69/67/13/1189696713.db2.gz FBOMDLWDLJAFAN-QWHCGFSZSA-N 1 0 399.473 0.784 20 5 GCBDRO CC1(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000417685619 1189696815 /nfs/dbraw/zinc/69/68/15/1189696815.db2.gz YTRXFQDQELZJKC-UHFFFAOYSA-N 1 0 385.446 0.314 20 5 GCBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417680476 1189697250 /nfs/dbraw/zinc/69/72/50/1189697250.db2.gz NPPNMVHGPDAWLB-NEPJUHHUSA-N 1 0 385.446 0.170 20 5 GCBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681582 1189697359 /nfs/dbraw/zinc/69/73/59/1189697359.db2.gz QGMYJHNNPZQCHH-GFCCVEGCSA-N 1 0 385.446 0.267 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417681247 1189697625 /nfs/dbraw/zinc/69/76/25/1189697625.db2.gz PSEPHWIEOLPABZ-OLZOCXBDSA-N 1 0 397.457 0.267 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000417700792 1189697923 /nfs/dbraw/zinc/69/79/23/1189697923.db2.gz MMGLCTRVWGZXGP-NEPJUHHUSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@]1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000417705645 1189698300 /nfs/dbraw/zinc/69/83/00/1189698300.db2.gz VBKCZODNOMDASS-MRXNPFEDSA-N 1 0 399.473 0.562 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418015040 1189712198 /nfs/dbraw/zinc/71/21/98/1189712198.db2.gz DAUOBKISLLWNMS-STQMWFEESA-N 1 0 382.442 0.619 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418285568 1189748102 /nfs/dbraw/zinc/74/81/02/1189748102.db2.gz FZYIPUSJCBWGPU-UHFFFAOYSA-N 1 0 376.461 0.722 20 5 GCBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000053563893 1189752288 /nfs/dbraw/zinc/75/22/88/1189752288.db2.gz XXXDOBWXJIGOEG-UHFFFAOYSA-N 1 0 390.440 0.895 20 5 GCBDRO O=C(NC1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418302547 1189753659 /nfs/dbraw/zinc/75/36/59/1189753659.db2.gz BIMAIRGVCRKRFA-UHFFFAOYSA-N 1 0 397.457 0.363 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348764 1193843087 /nfs/dbraw/zinc/84/30/87/1193843087.db2.gz LORXKPRICALBQU-NOZJJQNGSA-N 1 0 390.400 0.317 20 5 GCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000419353072 1193852056 /nfs/dbraw/zinc/85/20/56/1193852056.db2.gz JFZVOHZMKFVLQV-HNNXBMFYSA-N 1 0 392.412 0.985 20 5 GCBDRO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000266020546 1193919526 /nfs/dbraw/zinc/91/95/26/1193919526.db2.gz XCDHKASUULFQON-GFCCVEGCSA-N 1 0 399.473 0.597 20 5 GCBDRO COCC1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261628207 1193921695 /nfs/dbraw/zinc/92/16/95/1193921695.db2.gz ARDLCFZYBVTACR-UHFFFAOYSA-N 1 0 378.429 0.847 20 5 GCBDRO Nc1c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(F)cc1[N+](=O)[O-] ZINC000262187461 1193941370 /nfs/dbraw/zinc/94/13/70/1193941370.db2.gz ZMDWLVCZOIVBEW-NSHDSACASA-N 1 0 379.314 0.882 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000419455245 1194033301 /nfs/dbraw/zinc/03/33/01/1194033301.db2.gz OFROAQSYTBKLOH-CJNGLKHVSA-N 1 0 375.429 0.642 20 5 GCBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000366394538 1194038424 /nfs/dbraw/zinc/03/84/24/1194038424.db2.gz FDEWXRHUBXTOPI-OAGGEKHMSA-N 1 0 382.417 0.442 20 5 GCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000366447801 1194080650 /nfs/dbraw/zinc/08/06/50/1194080650.db2.gz ALELVILPWRIAQG-BARDWOONSA-N 1 0 380.426 0.082 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000419780121 1194104615 /nfs/dbraw/zinc/10/46/15/1194104615.db2.gz NVQAAZVSEXIPRF-LBPRGKRZSA-N 1 0 390.318 0.416 20 5 GCBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419859554 1194123692 /nfs/dbraw/zinc/12/36/92/1194123692.db2.gz NMXOZNZDIBRDNW-CQSZACIVSA-N 1 0 375.429 0.359 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419867183 1194126230 /nfs/dbraw/zinc/12/62/30/1194126230.db2.gz KTXXNKFWUQQJHZ-UHFFFAOYSA-N 1 0 389.456 0.497 20 5 GCBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419869995 1194127406 /nfs/dbraw/zinc/12/74/06/1194127406.db2.gz DHPYMBWJQGNJBF-UHFFFAOYSA-N 1 0 375.429 0.107 20 5 GCBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C1 ZINC000419878508 1194131250 /nfs/dbraw/zinc/13/12/50/1194131250.db2.gz JGCUMDIZOUBYNS-JTQLQIEISA-N 1 0 389.334 0.620 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[NH2+]C1 ZINC000419902016 1194137376 /nfs/dbraw/zinc/13/73/76/1194137376.db2.gz UDJMYMZDEJCSEP-LSDHHAIUSA-N 1 0 389.456 0.748 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000419909903 1194142027 /nfs/dbraw/zinc/14/20/27/1194142027.db2.gz ZOBCXPDYFJRFIU-STQMWFEESA-N 1 0 376.413 0.689 20 5 GCBDRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000419936449 1194145414 /nfs/dbraw/zinc/14/54/14/1194145414.db2.gz UHTOEIMUVULSAL-HNNXBMFYSA-N 1 0 398.423 0.455 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419945930 1194146995 /nfs/dbraw/zinc/14/69/95/1194146995.db2.gz DKMYHENFYZENON-VIFPVBQESA-N 1 0 391.350 0.853 20 5 GCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419983928 1194152490 /nfs/dbraw/zinc/15/24/90/1194152490.db2.gz XAHCOWBEKIENGJ-AWEZNQCLSA-N 1 0 377.445 0.733 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000420014889 1194162250 /nfs/dbraw/zinc/16/22/50/1194162250.db2.gz PEXXAXXGLHVZDA-GFCCVEGCSA-N 1 0 379.417 0.106 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420015941 1194162626 /nfs/dbraw/zinc/16/26/26/1194162626.db2.gz MADKVXQAUJQHAW-MLGOLLRUSA-N 1 0 376.413 0.818 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052275 1194170432 /nfs/dbraw/zinc/17/04/32/1194170432.db2.gz FKVLDTURGPGJBF-DOMZBBRYSA-N 1 0 378.429 0.825 20 5 GCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000420072713 1194172673 /nfs/dbraw/zinc/17/26/73/1194172673.db2.gz NBMYHMJYVFGFRE-HNNXBMFYSA-N 1 0 389.456 0.877 20 5 GCBDRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000420093145 1194183023 /nfs/dbraw/zinc/18/30/23/1194183023.db2.gz GPHGUTGFHXNEAU-LJQANCHMSA-N 1 0 389.456 0.749 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000420122227 1194187871 /nfs/dbraw/zinc/18/78/71/1194187871.db2.gz LGNRRWQBRWHBDM-KBPBESRZSA-N 1 0 375.429 0.500 20 5 GCBDRO C[NH2+]C[C@@H](C)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000420207004 1194205482 /nfs/dbraw/zinc/20/54/82/1194205482.db2.gz QETJKTWIUMFQQX-CYBMUJFWSA-N 1 0 385.490 0.798 20 5 GCBDRO COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420253391 1194219294 /nfs/dbraw/zinc/21/92/94/1194219294.db2.gz DMLWEYHUWAKYQV-IACUBPJLSA-N 1 0 376.413 0.932 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420348391 1194222477 /nfs/dbraw/zinc/22/24/77/1194222477.db2.gz LFYANAJRKVOPGH-AWEZNQCLSA-N 1 0 377.445 0.912 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420473060 1194231222 /nfs/dbraw/zinc/23/12/22/1194231222.db2.gz CPTZXWXVLXWSQE-AWEZNQCLSA-N 1 0 380.430 0.979 20 5 GCBDRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000502025965 1194257023 /nfs/dbraw/zinc/25/70/23/1194257023.db2.gz GQQPIKOVPCJZFJ-VXGBXAGGSA-N 1 0 380.401 0.649 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCO[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000413468237 1194267476 /nfs/dbraw/zinc/26/74/76/1194267476.db2.gz BQWUQWHHVWORDK-LBPRGKRZSA-N 1 0 390.437 0.609 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000413500276 1194276081 /nfs/dbraw/zinc/27/60/81/1194276081.db2.gz OBBYVTMWDZJPSP-LLVKDONJSA-N 1 0 386.430 0.044 20 5 GCBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972717 1194280019 /nfs/dbraw/zinc/28/00/19/1194280019.db2.gz LALCNMAEWCCGMR-AWEZNQCLSA-N 1 0 386.474 0.526 20 5 GCBDRO O=C1OCCN1c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000366939801 1194337393 /nfs/dbraw/zinc/33/73/93/1194337393.db2.gz AGJPQEZLYOOTPH-PHIMTYICSA-N 1 0 382.398 0.391 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413893807 1194357324 /nfs/dbraw/zinc/35/73/24/1194357324.db2.gz BMAAAILVPHCTBU-QWHCGFSZSA-N 1 0 396.448 0.390 20 5 GCBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502815574 1194358963 /nfs/dbraw/zinc/35/89/63/1194358963.db2.gz VLRRIGROTCIMNR-CYBMUJFWSA-N 1 0 399.473 0.609 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413916649 1194360305 /nfs/dbraw/zinc/36/03/05/1194360305.db2.gz JBRFGXUQZLTIPM-JSGCOSHPSA-N 1 0 392.412 0.276 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+](C)C1 ZINC000413923594 1194362850 /nfs/dbraw/zinc/36/28/50/1194362850.db2.gz RJSONZHHKHJTKN-CQSZACIVSA-N 1 0 392.412 0.196 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C)CC1 ZINC000421993033 1194376024 /nfs/dbraw/zinc/37/60/24/1194376024.db2.gz RNWLLEQEIGNDRA-UHFFFAOYSA-N 1 0 384.458 0.673 20 5 GCBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421971336 1194376227 /nfs/dbraw/zinc/37/62/27/1194376227.db2.gz APJSXLUVMIVPIH-WFASDCNBSA-N 1 0 384.458 0.529 20 5 GCBDRO CC[NH+](CC)CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000503498402 1194681477 /nfs/dbraw/zinc/68/14/77/1194681477.db2.gz XTCVYDCSMBFQHX-GFCCVEGCSA-N 1 0 387.462 0.299 20 5 GCBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000503632463 1194702065 /nfs/dbraw/zinc/70/20/65/1194702065.db2.gz XXBYEIZURXQSST-UHFFFAOYSA-N 1 0 389.412 0.300 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)CC3(C[NH3+])CC3)CC2)c([N+](=O)[O-])c1 ZINC000422937568 1194709706 /nfs/dbraw/zinc/70/97/06/1194709706.db2.gz OGZSXDMVYYJRBT-UHFFFAOYSA-N 1 0 396.469 0.776 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422938351 1194709943 /nfs/dbraw/zinc/70/99/43/1194709943.db2.gz PLBNRGYVYLGIOK-CVEARBPZSA-N 1 0 384.458 0.230 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000422988574 1194713331 /nfs/dbraw/zinc/71/33/31/1194713331.db2.gz JHQAUWNHPRUPKX-CABCVRRESA-N 1 0 387.440 0.311 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422984778 1194715605 /nfs/dbraw/zinc/71/56/05/1194715605.db2.gz ZDZZNAMZLHCFCJ-GDBMZVCRSA-N 1 0 384.458 0.230 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423150256 1194731522 /nfs/dbraw/zinc/73/15/22/1194731522.db2.gz IMKBHZOYZBFLFU-LSDHHAIUSA-N 1 0 389.456 0.829 20 5 GCBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423152252 1194731563 /nfs/dbraw/zinc/73/15/63/1194731563.db2.gz LKCRZRFOEGWTIR-UHFFFAOYSA-N 1 0 377.445 0.687 20 5 GCBDRO [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000423301405 1194748168 /nfs/dbraw/zinc/74/81/68/1194748168.db2.gz FZZBZEKQCIBEKP-UHFFFAOYSA-N 1 0 390.440 0.836 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000423466387 1194758645 /nfs/dbraw/zinc/75/86/45/1194758645.db2.gz AMILTRCLVCBUKI-UHFFFAOYSA-N 1 0 391.428 0.074 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423567450 1194767831 /nfs/dbraw/zinc/76/78/31/1194767831.db2.gz CXBXJKXPQIVHNK-ZDUSSCGKSA-N 1 0 376.413 0.772 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423569403 1194768293 /nfs/dbraw/zinc/76/82/93/1194768293.db2.gz FTGZYRGGOSNHMP-STQMWFEESA-N 1 0 376.413 0.770 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423586573 1194771466 /nfs/dbraw/zinc/77/14/66/1194771466.db2.gz DPRJUPARKAIVEE-AWEZNQCLSA-N 1 0 390.444 0.226 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)C[NH2+]1 ZINC000423629928 1194775452 /nfs/dbraw/zinc/77/54/52/1194775452.db2.gz KTWOQMGCIUKGNC-ZIAGYGMSSA-N 1 0 375.429 0.452 20 5 GCBDRO CN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC[NH2+]CC1 ZINC000423682081 1194785056 /nfs/dbraw/zinc/78/50/56/1194785056.db2.gz NKHWXOPNLIHSFU-UHFFFAOYSA-N 1 0 375.429 0.454 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423686813 1194785952 /nfs/dbraw/zinc/78/59/52/1194785952.db2.gz UKVWUQZAHPSTLF-HUUCEWRRSA-N 1 0 389.456 0.972 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C[NH3+] ZINC000423738407 1194792777 /nfs/dbraw/zinc/79/27/77/1194792777.db2.gz QMCLOXMIAXFWAA-PBHICJAKSA-N 1 0 389.456 0.829 20 5 GCBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423991955 1194797256 /nfs/dbraw/zinc/79/72/56/1194797256.db2.gz NIDVPSYXYDULMX-GJZGRUSLSA-N 1 0 396.469 0.551 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000423998455 1194797995 /nfs/dbraw/zinc/79/79/95/1194797995.db2.gz ZPRIJJMVJWOEJY-GDBMZVCRSA-N 1 0 376.413 0.612 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424013888 1194798952 /nfs/dbraw/zinc/79/89/52/1194798952.db2.gz KYJHJPVNNHVRRW-OLZOCXBDSA-N 1 0 384.458 0.707 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424018351 1194799430 /nfs/dbraw/zinc/79/94/30/1194799430.db2.gz PYTZXZLVNFGBPF-CHWSQXEVSA-N 1 0 384.458 0.707 20 5 GCBDRO C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424029696 1194800093 /nfs/dbraw/zinc/80/00/93/1194800093.db2.gz GHVZTODDJDKLQJ-HNNXBMFYSA-N 1 0 384.458 0.816 20 5 GCBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000424072028 1194800854 /nfs/dbraw/zinc/80/08/54/1194800854.db2.gz LEFBDHKJNDXBHH-NHCYSSNCSA-N 1 0 384.458 0.996 20 5 GCBDRO Cn1cnnc1Sc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000504854114 1194808344 /nfs/dbraw/zinc/80/83/44/1194808344.db2.gz WWKMELWLDVRLSM-INIZCTEOSA-N 1 0 394.457 0.917 20 5 GCBDRO COCC(C)(C)[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000424973315 1194833955 /nfs/dbraw/zinc/83/39/55/1194833955.db2.gz DHZWTXXJQBKENM-UHFFFAOYSA-N 1 0 378.429 0.894 20 5 GCBDRO C[NH+]1CCC(CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000505414646 1194842935 /nfs/dbraw/zinc/84/29/35/1194842935.db2.gz IPPBUTXGINMWON-UHFFFAOYSA-N 1 0 399.473 0.502 20 5 GCBDRO O=C(NCC[NH+]1CCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000505442494 1194854313 /nfs/dbraw/zinc/85/43/13/1194854313.db2.gz SHAOZFHPBNEQHS-MRXNPFEDSA-N 1 0 396.469 0.960 20 5 GCBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000434719227 1194863607 /nfs/dbraw/zinc/86/36/07/1194863607.db2.gz PYVMLPVMGDKFGK-QAPCUYQASA-N 1 0 393.440 0.686 20 5 GCBDRO COc1ccc(NC(=O)[C@@H](C)N(C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975712 1194880906 /nfs/dbraw/zinc/88/09/06/1194880906.db2.gz FVDUXUFPNPBSRV-ZIAGYGMSSA-N 1 0 396.444 0.555 20 5 GCBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](O)CN1CCOCC1 ZINC000434988074 1194881744 /nfs/dbraw/zinc/88/17/44/1194881744.db2.gz QKHCWYGGGGHYAQ-OAHLLOKOSA-N 1 0 394.428 0.518 20 5 GCBDRO CNc1nc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000425304833 1194903402 /nfs/dbraw/zinc/90/34/02/1194903402.db2.gz HRQCGGWSFIELNK-AWEZNQCLSA-N 1 0 376.417 0.456 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244747 1194905670 /nfs/dbraw/zinc/90/56/70/1194905670.db2.gz HRRSILMUOWFUDO-CQSZACIVSA-N 1 0 382.442 0.616 20 5 GCBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000435772313 1194963465 /nfs/dbraw/zinc/96/34/65/1194963465.db2.gz DWVSAFVVWFQKHB-UHFFFAOYSA-N 1 0 392.412 0.946 20 5 GCBDRO O=C(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 ZINC000515346886 1194969489 /nfs/dbraw/zinc/96/94/89/1194969489.db2.gz DHOIGMWZFKWZJE-KRWDZBQOSA-N 1 0 388.428 0.091 20 5 GCBDRO COc1ccc(CSCC(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000515414267 1194973600 /nfs/dbraw/zinc/97/36/00/1194973600.db2.gz IYWXIROFSNYKLO-UHFFFAOYSA-N 1 0 382.442 0.385 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H]1C[NH3+] ZINC000516759618 1195094208 /nfs/dbraw/zinc/09/42/08/1195094208.db2.gz RHEXWUVZFKITLP-KGLIPLIRSA-N 1 0 390.444 0.082 20 5 GCBDRO COC(=O)c1cc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000517028137 1195126482 /nfs/dbraw/zinc/12/64/82/1195126482.db2.gz LYVDIYRTDMMNAP-AWEZNQCLSA-N 1 0 392.412 0.841 20 5 GCBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000517362890 1195175630 /nfs/dbraw/zinc/17/56/30/1195175630.db2.gz CXTCLSLESSZZET-TZMCWYRMSA-N 1 0 396.469 0.645 20 5 GCBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000518358599 1195284797 /nfs/dbraw/zinc/28/47/97/1195284797.db2.gz YBVJTSMFELTIMR-CYBMUJFWSA-N 1 0 382.442 0.379 20 5 GCBDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000439331789 1195309303 /nfs/dbraw/zinc/30/93/03/1195309303.db2.gz YOGZPIXIJAATPU-GFCCVEGCSA-N 1 0 391.432 0.807 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000440077363 1195382384 /nfs/dbraw/zinc/38/23/84/1195382384.db2.gz VZYYZXGAVNYSSS-ZDUSSCGKSA-N 1 0 386.474 0.908 20 5 GCBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000440364508 1195411996 /nfs/dbraw/zinc/41/19/96/1195411996.db2.gz LHKNWFAWKODPSK-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000262060060 1195482237 /nfs/dbraw/zinc/48/22/37/1195482237.db2.gz NUHUYESKEMNGHF-XJKSGUPXSA-N 1 0 396.469 0.864 20 5 GCBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000427293053 1195524392 /nfs/dbraw/zinc/52/43/92/1195524392.db2.gz XEFUWJZMFRJYBH-KBPBESRZSA-N 1 0 380.449 0.924 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000543693232 1195525163 /nfs/dbraw/zinc/52/51/63/1195525163.db2.gz PXTQKYRBPICGRU-UHFFFAOYSA-N 1 0 399.473 0.233 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991591 1195772750 /nfs/dbraw/zinc/77/27/50/1195772750.db2.gz RVJLZUCATGRONF-CZUORRHYSA-N 1 0 395.412 0.872 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441602749 1195793379 /nfs/dbraw/zinc/79/33/79/1195793379.db2.gz XECWVRBAYMNUSX-SWLSCSKDSA-N 1 0 384.458 0.849 20 5 GCBDRO CC(C)NS(=O)(=O)NCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760046522 1195823241 /nfs/dbraw/zinc/82/32/41/1195823241.db2.gz KLIRRVZUBJKQHX-UHFFFAOYSA-N 1 0 385.490 0.986 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccnc2)c1 ZINC000574868936 1195836235 /nfs/dbraw/zinc/83/62/35/1195836235.db2.gz FCQVNLLVNIMLIE-AWEZNQCLSA-N 1 0 396.425 0.298 20 5 GCBDRO CN(Cc1ncc[nH]1)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000428105926 1195912637 /nfs/dbraw/zinc/91/26/37/1195912637.db2.gz AWYXYRUJSYURCT-UHFFFAOYSA-N 1 0 382.446 0.794 20 5 GCBDRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000441977520 1195935602 /nfs/dbraw/zinc/93/56/02/1195935602.db2.gz IPLJLJBJSDDUDJ-ZDUSSCGKSA-N 1 0 391.428 0.545 20 5 GCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000438920538 1195973721 /nfs/dbraw/zinc/97/37/21/1195973721.db2.gz NIPSNVSNOGYQMX-LJQANCHMSA-N 1 0 386.408 0.510 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521295179 1195985509 /nfs/dbraw/zinc/98/55/09/1195985509.db2.gz XLTABCLQCUULGC-AWEZNQCLSA-N 1 0 375.429 0.995 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000151624992 1196063656 /nfs/dbraw/zinc/06/36/56/1196063656.db2.gz NTBWPWRBNAHVQG-CQSZACIVSA-N 1 0 386.412 0.574 20 5 GCBDRO C[C@@H]1CN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C[C@H](C)[N@H+]1CCO ZINC000840133694 1196088323 /nfs/dbraw/zinc/08/83/23/1196088323.db2.gz HEPXPGMVODJKRA-BETUJISGSA-N 1 0 377.401 0.756 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000151654383 1196088772 /nfs/dbraw/zinc/08/87/72/1196088772.db2.gz UKJFNXCWJKPMCJ-JKSUJKDBSA-N 1 0 380.449 0.858 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000151654344 1196088825 /nfs/dbraw/zinc/08/88/25/1196088825.db2.gz UKJFNXCWJKPMCJ-HZPDHXFCSA-N 1 0 380.449 0.858 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000151654211 1196088907 /nfs/dbraw/zinc/08/89/07/1196088907.db2.gz UKJFNXCWJKPMCJ-CVEARBPZSA-N 1 0 380.449 0.858 20 5 GCBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000614711292 1196094201 /nfs/dbraw/zinc/09/42/01/1196094201.db2.gz IWUCOXRQTZSGRA-ZIAGYGMSSA-N 1 0 399.473 0.643 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896547972 1196159358 /nfs/dbraw/zinc/15/93/58/1196159358.db2.gz GUYNRHLCGPHTMV-WMLDXEAASA-N 1 0 391.472 0.796 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000281188428 1196282714 /nfs/dbraw/zinc/28/27/14/1196282714.db2.gz ZLPAGPNQMSEDAG-UHFFFAOYSA-N 1 0 378.429 0.766 20 5 GCBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281422502 1196294479 /nfs/dbraw/zinc/29/44/79/1196294479.db2.gz BDNKRGWPSRIUCC-ZIAGYGMSSA-N 1 0 378.429 0.628 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000281792267 1196332223 /nfs/dbraw/zinc/33/22/23/1196332223.db2.gz SFVVNIWFXRGUIO-UHFFFAOYSA-N 1 0 379.417 0.040 20 5 GCBDRO [NH3+]Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000444158775 1196353443 /nfs/dbraw/zinc/35/34/43/1196353443.db2.gz IBMKKNSTUPEHCS-UHFFFAOYSA-N 1 0 394.409 0.793 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000444273015 1196370147 /nfs/dbraw/zinc/37/01/47/1196370147.db2.gz ZHRWEDJGLZUJQR-LLVKDONJSA-N 1 0 385.446 0.303 20 5 GCBDRO C[C@@H](O)CN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000444380750 1196451027 /nfs/dbraw/zinc/45/10/27/1196451027.db2.gz JLBZZZBEJBCHGS-GFCCVEGCSA-N 1 0 390.396 0.387 20 5 GCBDRO CN(CC[NH+]1CCCC1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000487504495 1196510038 /nfs/dbraw/zinc/51/00/38/1196510038.db2.gz UZBAQCOCMRCERF-UHFFFAOYSA-N 1 0 399.473 0.598 20 5 GCBDRO COc1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000467491988 1196526895 /nfs/dbraw/zinc/52/68/95/1196526895.db2.gz BMZVTKGQCSVRLW-QGZVFWFLSA-N 1 0 383.401 0.425 20 5 GCBDRO CC(C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523988261 1196570730 /nfs/dbraw/zinc/57/07/30/1196570730.db2.gz TWRLVBTXOANOLN-UHFFFAOYSA-N 1 0 387.462 0.513 20 5 GCBDRO Cc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929474 1196607595 /nfs/dbraw/zinc/60/75/95/1196607595.db2.gz QYTBRUPVAICFBS-ONGXEEELSA-N 1 0 382.442 0.906 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446361742 1196637428 /nfs/dbraw/zinc/63/74/28/1196637428.db2.gz CJHUAISENDLQTN-BETUJISGSA-N 1 0 382.442 0.616 20 5 GCBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525174559 1196655424 /nfs/dbraw/zinc/65/54/24/1196655424.db2.gz BIQTVOYMDILBTG-UHFFFAOYSA-N 1 0 388.446 0.884 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447245061 1196702019 /nfs/dbraw/zinc/70/20/19/1196702019.db2.gz DXYZNKKYUXUPNE-HNNXBMFYSA-N 1 0 384.458 0.744 20 5 GCBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429720158 1196736128 /nfs/dbraw/zinc/73/61/28/1196736128.db2.gz PKMASETWQXRHCA-GJZGRUSLSA-N 1 0 396.469 0.934 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447799883 1196749667 /nfs/dbraw/zinc/74/96/67/1196749667.db2.gz NCAJVJBFBFUXTR-UHFFFAOYSA-N 1 0 391.472 0.637 20 5 GCBDRO C[C@@H]1CN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[N@H+]1CCO ZINC000448557503 1196816125 /nfs/dbraw/zinc/81/61/25/1196816125.db2.gz UYRUCYQKLXBWTR-DVOMOZLQSA-N 1 0 376.413 0.614 20 5 GCBDRO Cc1cc(=O)c(C(=O)NC[C@H]2C[NH2+]CCCO2)nn1-c1ccccc1[N+](=O)[O-] ZINC000449708938 1196893953 /nfs/dbraw/zinc/89/39/53/1196893953.db2.gz WYTRWVWWGOJPAD-CYBMUJFWSA-N 1 0 387.396 0.557 20 5 GCBDRO CN(CC(=O)N[C@H]1CC[NH2+]CC1(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449707778 1196894179 /nfs/dbraw/zinc/89/41/79/1196894179.db2.gz SHNQRYZQUFBBKL-AWEZNQCLSA-N 1 0 384.458 0.720 20 5 GCBDRO NC(=O)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccccc21 ZINC000451710712 1197011542 /nfs/dbraw/zinc/01/15/42/1197011542.db2.gz LROKWSWMFNNNPN-HOCLYGCPSA-N 1 0 389.412 0.853 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452366658 1197056279 /nfs/dbraw/zinc/05/62/79/1197056279.db2.gz OWZXLFLEDJKDKS-ZIAGYGMSSA-N 1 0 382.465 0.790 20 5 GCBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531292241 1197063281 /nfs/dbraw/zinc/06/32/81/1197063281.db2.gz HZQCNPQKXIOMFQ-LBPRGKRZSA-N 1 0 382.442 0.861 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452802599 1197083240 /nfs/dbraw/zinc/08/32/40/1197083240.db2.gz VOLCIQYXYXEJCF-CJNGLKHVSA-N 1 0 378.429 0.676 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452800288 1197083340 /nfs/dbraw/zinc/08/33/40/1197083340.db2.gz VGHKOCMWUSWXAG-OAHLLOKOSA-N 1 0 393.444 0.357 20 5 GCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)C[C@@H]21 ZINC000453917290 1197154912 /nfs/dbraw/zinc/15/49/12/1197154912.db2.gz MBAWMMMXUPGJPS-RISCZKNCSA-N 1 0 390.396 0.857 20 5 GCBDRO Cn1nnc2cc(C[NH2+]CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000532479591 1197316205 /nfs/dbraw/zinc/31/62/05/1197316205.db2.gz JXJGRPNEBYEYJN-UHFFFAOYSA-N 1 0 390.425 0.945 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429728773 1197333135 /nfs/dbraw/zinc/33/31/35/1197333135.db2.gz ZROXAUAZQDRYPL-CWRNSKLLSA-N 1 0 387.458 0.785 20 5 GCBDRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429738534 1197404122 /nfs/dbraw/zinc/40/41/22/1197404122.db2.gz OUDGMFGIWGUFCZ-CQSZACIVSA-N 1 0 384.458 0.801 20 5 GCBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743736 1197404530 /nfs/dbraw/zinc/40/45/30/1197404530.db2.gz LYGMWDLXDZMOFJ-WFASDCNBSA-N 1 0 384.458 0.801 20 5 GCBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743574 1197404571 /nfs/dbraw/zinc/40/45/71/1197404571.db2.gz LEVGRZYVCYNHRI-CYBMUJFWSA-N 1 0 382.442 0.570 20 5 GCBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743730 1197404621 /nfs/dbraw/zinc/40/46/21/1197404621.db2.gz LYGMWDLXDZMOFJ-DOMZBBRYSA-N 1 0 384.458 0.801 20 5 GCBDRO O=C([C@H]1CCCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429739480 1197404646 /nfs/dbraw/zinc/40/46/46/1197404646.db2.gz RQBGZVPEJAHZOD-OAHLLOKOSA-N 1 0 382.442 0.570 20 5 GCBDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000533070266 1197430375 /nfs/dbraw/zinc/43/03/75/1197430375.db2.gz QYKXYTJMYPKWDD-LBPRGKRZSA-N 1 0 384.414 0.646 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000237843417 1197509416 /nfs/dbraw/zinc/50/94/16/1197509416.db2.gz URUZEGMBLVXZRO-KRWDZBQOSA-N 1 0 389.456 0.529 20 5 GCBDRO COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000428612615 1197553200 /nfs/dbraw/zinc/55/32/00/1197553200.db2.gz BHEQFLMWPXKYFO-AWEZNQCLSA-N 1 0 376.413 0.887 20 5 GCBDRO CCCc1n[nH]c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428631123 1197558789 /nfs/dbraw/zinc/55/87/89/1197558789.db2.gz QEKFSVKSJXDFHM-LBPRGKRZSA-N 1 0 378.433 0.554 20 5 GCBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000553836288 1199006896 /nfs/dbraw/zinc/00/68/96/1199006896.db2.gz LPUPPPYQJOTTCB-CQSZACIVSA-N 1 0 381.410 0.772 20 5 GCBDRO CC(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000273463642 1199011065 /nfs/dbraw/zinc/01/10/65/1199011065.db2.gz IRJKUHOBZKGINR-CQSZACIVSA-N 1 0 385.490 0.926 20 5 GCBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000542724509 1199018594 /nfs/dbraw/zinc/01/85/94/1199018594.db2.gz QBRIZXMWDGZRRU-INIZCTEOSA-N 1 0 392.437 0.559 20 5 GCBDRO C[C@@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000265723520 1199020560 /nfs/dbraw/zinc/02/05/60/1199020560.db2.gz NCDCLNHMUHULQO-KBPBESRZSA-N 1 0 378.429 0.798 20 5 GCBDRO COc1cc[nH+]c(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)c1 ZINC000273510032 1199022077 /nfs/dbraw/zinc/02/20/77/1199022077.db2.gz UHBFYKYSADPVFV-UHFFFAOYSA-N 1 0 393.425 0.972 20 5 GCBDRO CC[NH+]1CCN([C@@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)CC1 ZINC000273523741 1199026031 /nfs/dbraw/zinc/02/60/31/1199026031.db2.gz XKBYROGSQWOUFR-CYBMUJFWSA-N 1 0 383.474 0.458 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@@H+]1C ZINC000554029384 1199039002 /nfs/dbraw/zinc/03/90/02/1199039002.db2.gz HLKKVZWNNYJKTL-CHWSQXEVSA-N 1 0 378.433 0.554 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000554335175 1199049955 /nfs/dbraw/zinc/04/99/55/1199049955.db2.gz DTGAIQVRDOEJFY-GJZGRUSLSA-N 1 0 389.456 0.842 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2nc(C3CC[NH2+]CC3)no2)c1 ZINC000843139386 1199110554 /nfs/dbraw/zinc/11/05/54/1199110554.db2.gz UTDGVWCOXTYPDD-UHFFFAOYSA-N 1 0 381.414 0.966 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000465991295 1199315177 /nfs/dbraw/zinc/31/51/77/1199315177.db2.gz ZANZIOLHEKXBRU-OLZOCXBDSA-N 1 0 399.473 0.655 20 5 GCBDRO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000542995695 1199323575 /nfs/dbraw/zinc/32/35/75/1199323575.db2.gz QTERPYHLCLGTQI-UHFFFAOYSA-N 1 0 380.401 0.505 20 5 GCBDRO COC[C@@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000265841308 1199606497 /nfs/dbraw/zinc/60/64/97/1199606497.db2.gz SIPCRGIFXYVABW-CYBMUJFWSA-N 1 0 386.474 0.907 20 5 GCBDRO C[C@H]([NH3+])C1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000428890388 1199823237 /nfs/dbraw/zinc/82/32/37/1199823237.db2.gz ZGJNBWKDMPQHDK-LBPRGKRZSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000428979840 1199870559 /nfs/dbraw/zinc/87/05/59/1199870559.db2.gz SWUSQJSLEGSSFK-RYUDHWBXSA-N 1 0 399.473 0.549 20 5 GCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000282413671 1199907301 /nfs/dbraw/zinc/90/73/01/1199907301.db2.gz IFMNUNAEXRRUOX-NSHDSACASA-N 1 0 381.408 0.733 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000028264935 1199924170 /nfs/dbraw/zinc/92/41/70/1199924170.db2.gz VHNGHZTWDQVQQH-CQSZACIVSA-N 1 0 395.437 0.903 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000429130850 1199939206 /nfs/dbraw/zinc/93/92/06/1199939206.db2.gz ATRLPSUVSCHDFR-STQMWFEESA-N 1 0 384.458 0.849 20 5 GCBDRO NC(=O)C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491565 1199960570 /nfs/dbraw/zinc/96/05/70/1199960570.db2.gz OBWGTOMBJSHFJK-JKSUJKDBSA-N 1 0 376.413 0.960 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000429186608 1200060447 /nfs/dbraw/zinc/06/04/47/1200060447.db2.gz HBFUHZMXQFCSIG-UHOFOFEASA-N 1 0 396.469 0.944 20 5 GCBDRO CCN1CCN(C(=O)CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000557100514 1200119111 /nfs/dbraw/zinc/11/91/11/1200119111.db2.gz OECYMKGIHYFLRA-UHFFFAOYSA-N 1 0 386.412 0.674 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000429399332 1200976543 /nfs/dbraw/zinc/97/65/43/1200976543.db2.gz BTLRTNUSPYCVEH-XJKCOSOUSA-N 1 0 396.469 0.957 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000429399333 1200976724 /nfs/dbraw/zinc/97/67/24/1200976724.db2.gz BTLRTNUSPYCVEH-ZENOOKHLSA-N 1 0 396.469 0.957 20 5 GCBDRO C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000429423657 1201021293 /nfs/dbraw/zinc/02/12/93/1201021293.db2.gz YRBYNTLNWLECBE-PHIMTYICSA-N 1 0 385.446 0.253 20 5 GCBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)CC1 ZINC000568409612 1201123245 /nfs/dbraw/zinc/12/32/45/1201123245.db2.gz NACXAPWRLWMEPZ-UHFFFAOYSA-N 1 0 376.461 1.062 20 5 GCBDRO CC[N@@H+]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611088146 1201215674 /nfs/dbraw/zinc/21/56/74/1201215674.db2.gz FLVTZNAIJKUVLA-LBPRGKRZSA-N 1 0 399.473 0.597 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])n1 ZINC000611107141 1201216561 /nfs/dbraw/zinc/21/65/61/1201216561.db2.gz FWPFJMCNMSJZIH-ZDUSSCGKSA-N 1 0 386.478 0.212 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000611106399 1201216588 /nfs/dbraw/zinc/21/65/88/1201216588.db2.gz LQUZUNYBJSLDKU-UHFFFAOYSA-N 1 0 389.478 0.933 20 5 GCBDRO CCNC(=O)CN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611132598 1201218241 /nfs/dbraw/zinc/21/82/41/1201218241.db2.gz ZVOPDGVRNRGAKO-UHFFFAOYSA-N 1 0 387.462 0.007 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000728076748 1201397647 /nfs/dbraw/zinc/39/76/47/1201397647.db2.gz DSRUHAOVUPFDJT-AWEZNQCLSA-N 1 0 388.428 0.648 20 5 GCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000730227448 1201438885 /nfs/dbraw/zinc/43/88/85/1201438885.db2.gz FXZWEVXZSSNGSP-HNNXBMFYSA-N 1 0 391.472 0.797 20 5 GCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)C1 ZINC000731640225 1201493838 /nfs/dbraw/zinc/49/38/38/1201493838.db2.gz XGWJWENUXNIMKI-CYBMUJFWSA-N 1 0 381.385 0.632 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000744406459 1201842014 /nfs/dbraw/zinc/84/20/14/1201842014.db2.gz DFGIDOXWCRANIU-RISCZKNCSA-N 1 0 377.361 0.642 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168816398 1201926964 /nfs/dbraw/zinc/92/69/64/1201926964.db2.gz POHVYHCJHOJHLV-SNVBAGLBSA-N 1 0 389.368 0.421 20 5 GCBDRO 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 ZINC001169020678 1201930954 /nfs/dbraw/zinc/93/09/54/1201930954.db2.gz LQQCEMFSGSMJGE-REBRKWNGSA-N 1 0 395.485 0.684 20 5 GCBDRO CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169017503 1201930992 /nfs/dbraw/zinc/93/09/92/1201930992.db2.gz AAMLRYOHRFKIEE-BZUAXINKSA-N 1 0 379.461 0.865 20 5 GCBDRO 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 ZINC001169020099 1201931071 /nfs/dbraw/zinc/93/10/71/1201931071.db2.gz IDSMBNPXNIDFON-ZLVKTETGSA-N 1 0 375.429 0.884 20 5 GCBDRO 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 ZINC001169023578 1201931364 /nfs/dbraw/zinc/93/13/64/1201931364.db2.gz PBWYYUFKQIEZND-PNKHAZJDSA-N 1 0 381.473 0.875 20 5 GCBDRO 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 1201931579 /nfs/dbraw/zinc/93/15/79/1201931579.db2.gz JAUCMGDSEWAJQB-USACIQFYSA-N 1 0 377.445 0.827 20 5 GCBDRO CCCn1c(=O)cc(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n(CCC)c1=O ZINC001170007750 1202065868 /nfs/dbraw/zinc/06/58/68/1202065868.db2.gz POJCFSZFWLPMNL-UHFFFAOYSA-N 1 0 389.416 0.959 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000771795085 1202160896 /nfs/dbraw/zinc/16/08/96/1202160896.db2.gz MFKYSBSYYPFUAJ-UHFFFAOYSA-N 1 0 383.836 0.893 20 5 GCBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000790871071 1205471673 /nfs/dbraw/zinc/47/16/73/1205471673.db2.gz LQRHASCCSMGUFN-CQSZACIVSA-N 1 0 388.402 0.465 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000808270080 1205604458 /nfs/dbraw/zinc/60/44/58/1205604458.db2.gz RJFLPWSXSWUOIO-ZDUSSCGKSA-N 1 0 379.417 0.086 20 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CC(C)(C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(N)=O ZINC001173691019 1205726328 /nfs/dbraw/zinc/72/63/28/1205726328.db2.gz GQLJRRLEXIRLPT-UHFFFAOYSA-N 1 0 384.458 0.849 20 5 GCBDRO O=C1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 ZINC001173691126 1205726339 /nfs/dbraw/zinc/72/63/39/1205726339.db2.gz JDONWZSLZKWFRM-LBPRGKRZSA-N 1 0 396.425 0.143 20 5 GCBDRO CN1C(=O)CC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693219 1205726401 /nfs/dbraw/zinc/72/64/01/1205726401.db2.gz GQLQZUTUNAFAMK-CQSZACIVSA-N 1 0 396.469 0.958 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC001173691050 1205726454 /nfs/dbraw/zinc/72/64/54/1205726454.db2.gz HDBMOKYYSKKCBL-UKRRQHHQSA-N 1 0 385.442 0.487 20 5 GCBDRO CN1CCO[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173690182 1205726499 /nfs/dbraw/zinc/72/64/99/1205726499.db2.gz NBSFKBITQWDSNT-HNNXBMFYSA-N 1 0 398.485 0.668 20 5 GCBDRO COc1ccc(NC(=O)CC[N@H+](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001175783476 1205741075 /nfs/dbraw/zinc/74/10/75/1205741075.db2.gz SMZACDHKOMDTTF-UHFFFAOYSA-N 1 0 380.401 0.898 20 5 GCBDRO COc1ccc(OCC[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c([N+](=O)[O-])c1 ZINC001176719004 1205753019 /nfs/dbraw/zinc/75/30/19/1205753019.db2.gz RATKDLFCBRMCTO-ZDUSSCGKSA-N 1 0 379.413 0.945 20 5 GCBDRO CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC001180054673 1205817620 /nfs/dbraw/zinc/81/76/20/1205817620.db2.gz QSYOWPCTLQUMJE-UONOGXRCSA-N 1 0 397.453 0.670 20 5 GCBDRO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001184227822 1205906563 /nfs/dbraw/zinc/90/65/63/1205906563.db2.gz GDFBBDVRXSMHCQ-BBRMVZONSA-N 1 0 393.444 0.997 20 5 GCBDRO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001184227824 1205906675 /nfs/dbraw/zinc/90/66/75/1205906675.db2.gz GDFBBDVRXSMHCQ-CZUORRHYSA-N 1 0 393.444 0.997 20 5 GCBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)CC2 ZINC001164684426 719702930 /nfs/dbraw/zinc/70/29/30/719702930.db2.gz PNPADZPQEVILDI-UHFFFAOYSA-N 1 0 391.428 0.957 20 5 GCBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2 ZINC001164685491 719717669 /nfs/dbraw/zinc/71/76/69/719717669.db2.gz LQWAARVAFDETPJ-UHFFFAOYSA-N 1 0 378.433 0.883 20 5 GCBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3N)CC2)C1 ZINC001164872746 721283412 /nfs/dbraw/zinc/28/34/12/721283412.db2.gz FKANBRSMOJNERV-UHFFFAOYSA-N 1 0 392.460 0.579 20 5 GCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798373 721515820 /nfs/dbraw/zinc/51/58/20/721515820.db2.gz SKVGKXRXZNBBSL-UHFFFAOYSA-N 1 0 387.444 0.501 20 5 GCBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537110991 530193450 /nfs/dbraw/zinc/19/34/50/530193450.db2.gz CDEYXXMPJHPJSS-NSHDSACASA-N 1 0 379.460 0.286 20 5 GCBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000551872654 530254922 /nfs/dbraw/zinc/25/49/22/530254922.db2.gz JLPNZFUITJAXGN-LLVKDONJSA-N 1 0 387.439 0.833 20 5 GCBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570155366 530316146 /nfs/dbraw/zinc/31/61/46/530316146.db2.gz KIEDMIXXHPODCL-CYBMUJFWSA-N 1 0 391.471 0.382 20 5 GCBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563441484 530349263 /nfs/dbraw/zinc/34/92/63/530349263.db2.gz LTHOVLZULHSCGD-BXKDBHETSA-N 1 0 388.833 0.489 20 5 GCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000367405461 530598043 /nfs/dbraw/zinc/59/80/43/530598043.db2.gz PDMKXKHYEMEZHJ-UWVGGRQHSA-N 1 0 375.378 0.687 20 5 GCBDRO COCC[NH2+]CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440833803 530695233 /nfs/dbraw/zinc/69/52/33/530695233.db2.gz PTQQDFJAQVHNAS-UHFFFAOYSA-N 1 0 382.236 0.872 20 5 GCBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591725167 530726920 /nfs/dbraw/zinc/72/69/20/530726920.db2.gz FQWKXTMWDONAOP-CYBMUJFWSA-N 1 0 375.447 0.642 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000533175175 530900703 /nfs/dbraw/zinc/90/07/03/530900703.db2.gz ITAWOHALQLJQBF-UHFFFAOYSA-N 1 0 375.451 0.543 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000423732625 530887664 /nfs/dbraw/zinc/88/76/64/530887664.db2.gz AUMFNMBKGVEOAI-JTQLQIEISA-N 1 0 384.336 0.269 20 5 GCBDRO Cc1sc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000467060131 530914429 /nfs/dbraw/zinc/91/44/29/530914429.db2.gz ODSQVBHTQWGWHI-UHFFFAOYSA-N 1 0 381.476 0.526 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000576148974 530984290 /nfs/dbraw/zinc/98/42/90/530984290.db2.gz CJKSZELCJXYCMP-ZDUSSCGKSA-N 1 0 388.833 0.869 20 5 GCBDRO C[NH+]1CCN(C[C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)CC1 ZINC000736864026 598337211 /nfs/dbraw/zinc/33/72/11/598337211.db2.gz OHOJWYICFRSHRN-AWEZNQCLSA-N 1 0 388.432 0.228 20 5 GCBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736145890 598502152 /nfs/dbraw/zinc/50/21/52/598502152.db2.gz DJPUTMJTRMRYEH-NSHDSACASA-N 1 0 376.421 0.699 20 5 GCBDRO COc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000737092160 598526163 /nfs/dbraw/zinc/52/61/63/598526163.db2.gz KLXCDYSRUCKKEH-NSHDSACASA-N 1 0 385.388 0.812 20 5 GCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000825000326 608151205 /nfs/dbraw/zinc/15/12/05/608151205.db2.gz ONRLLRNDLQQTPQ-SWLSCSKDSA-N 1 0 387.448 0.632 20 5 GCBDRO C[N@H+](CCO)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000899736615 639273654 /nfs/dbraw/zinc/27/36/54/639273654.db2.gz MUBFYEMBQZAXEE-UHFFFAOYSA-N 1 0 393.181 0.853 20 5 GCBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1I ZINC000701035249 640123079 /nfs/dbraw/zinc/12/30/79/640123079.db2.gz VPPHLNIHSNTTAW-MRVPVSSYSA-N 1 0 391.165 0.918 20 5 GCBDRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000861521747 641154391 /nfs/dbraw/zinc/15/43/91/641154391.db2.gz JWFYRFJRRLBYGH-SECBINFHSA-N 1 0 387.190 0.400 20 5 GCBDRO Cc1c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000563161494 642024989 /nfs/dbraw/zinc/02/49/89/642024989.db2.gz WIWYLBZMLAJOSS-LLVKDONJSA-N 1 0 378.357 0.278 20 5 GCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841230017 642292536 /nfs/dbraw/zinc/29/25/36/642292536.db2.gz NLOOCQBEFRJVKD-LURJTMIESA-N 1 0 392.153 0.601 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)ccc1Br ZINC000842483169 642337969 /nfs/dbraw/zinc/33/79/69/642337969.db2.gz GCILKULJXSGVSD-MRVPVSSYSA-N 1 0 380.220 0.624 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H](C[NH3+])C1 ZINC000844226214 642398243 /nfs/dbraw/zinc/39/82/43/642398243.db2.gz FRAUCWJXOOQMDN-VIFPVBQESA-N 1 0 393.263 0.621 20 5 GCBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000568981412 1192353211 /nfs/dbraw/zinc/35/32/11/1192353211.db2.gz UDOJJULXLYDKFQ-JSGCOSHPSA-N 1 0 376.417 0.261 20 5 GCBDRO CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000569047895 1192357758 /nfs/dbraw/zinc/35/77/58/1192357758.db2.gz NOQUMMYCPOWHKV-CQSZACIVSA-N 1 0 395.460 0.792 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000265084917 1192363251 /nfs/dbraw/zinc/36/32/51/1192363251.db2.gz LAEIWRFLSHGXIH-ZDUSSCGKSA-N 1 0 378.429 0.940 20 5 GCBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000585725615 1192399011 /nfs/dbraw/zinc/39/90/11/1192399011.db2.gz YSEMJUVPZVLILR-ZFWWWQNUSA-N 1 0 390.444 0.698 20 5 GCBDRO CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066986897 1192465812 /nfs/dbraw/zinc/46/58/12/1192465812.db2.gz IFJXBXYIAKPCPP-UHFFFAOYSA-N 1 0 399.473 0.657 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279101873 1192467043 /nfs/dbraw/zinc/46/70/43/1192467043.db2.gz QZRQFLYGGUVZPB-KRWDZBQOSA-N 1 0 391.384 0.606 20 5 GCBDRO Nc1c(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc(F)cc1[N+](=O)[O-] ZINC000432532270 1192536941 /nfs/dbraw/zinc/53/69/41/1192536941.db2.gz VQXRPGGDRMPTEG-UHFFFAOYSA-N 1 0 383.424 0.436 20 5 GCBDRO C[NH+](C)CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000279863581 1192612206 /nfs/dbraw/zinc/61/22/06/1192612206.db2.gz SSMNLYPHADAHRW-AWEZNQCLSA-N 1 0 399.469 0.941 20 5 GCBDRO COC[C@]1(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[NH2+]1 ZINC000418633477 1192621740 /nfs/dbraw/zinc/62/17/40/1192621740.db2.gz IIEHZPFQWJMJSN-QGZVFWFLSA-N 1 0 378.433 0.590 20 5 GCBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000418704162 1192632603 /nfs/dbraw/zinc/63/26/03/1192632603.db2.gz CLCJSOZNNULALR-ZDUSSCGKSA-N 1 0 399.473 0.656 20 5 GCBDRO C[C@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418717648 1192634595 /nfs/dbraw/zinc/63/45/95/1192634595.db2.gz ZVMLYZJNOSNZSS-CYBMUJFWSA-N 1 0 399.473 0.738 20 5 GCBDRO C[C@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418715456 1192634688 /nfs/dbraw/zinc/63/46/88/1192634688.db2.gz YFFKGDLLYMROOH-CYBMUJFWSA-N 1 0 399.473 0.738 20 5 GCBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418824139 1192656184 /nfs/dbraw/zinc/65/61/84/1192656184.db2.gz ZITLMEHFGNMIDP-QWHCGFSZSA-N 1 0 380.832 0.975 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418921494 1192691951 /nfs/dbraw/zinc/69/19/51/1192691951.db2.gz CZZFRSFEJWBDIJ-UHFFFAOYSA-N 1 0 376.413 0.822 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000418933663 1192693801 /nfs/dbraw/zinc/69/38/01/1192693801.db2.gz ISVCPGNBIYHDHK-JQWIXIFHSA-N 1 0 380.401 0.449 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262585343 1192743244 /nfs/dbraw/zinc/74/32/44/1192743244.db2.gz UPYHLZXSTUMZBY-LBPRGKRZSA-N 1 0 399.473 0.550 20 5 GCBDRO CN(CC(C)(C)C[NH3+])C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262591900 1192755506 /nfs/dbraw/zinc/75/55/06/1192755506.db2.gz UMVVVYSMTYMHND-UHFFFAOYSA-N 1 0 387.462 0.488 20 5 GCBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262600043 1192769587 /nfs/dbraw/zinc/76/95/87/1192769587.db2.gz WXNRTXFELYVSID-MAZHCROVSA-N 1 0 396.469 0.992 20 5 GCBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573598611 1192908469 /nfs/dbraw/zinc/90/84/69/1192908469.db2.gz AKNCHTBZKKQTLK-SJLPKXTDSA-N 1 0 387.440 0.976 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000573724394 1192911804 /nfs/dbraw/zinc/91/18/04/1192911804.db2.gz LEFXCXISFQBIEQ-UHFFFAOYSA-N 1 0 397.501 0.115 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)C1 ZINC000153843975 1184084217 /nfs/dbraw/zinc/08/42/17/1184084217.db2.gz GIMMESIDIXMRNL-AWEZNQCLSA-N 1 0 386.412 0.945 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC1CC[NH2+]CC1 ZINC000577607260 1184139725 /nfs/dbraw/zinc/13/97/25/1184139725.db2.gz FRGRKXUNWCATSS-UHFFFAOYSA-N 1 0 385.442 0.994 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000274697873 1184194240 /nfs/dbraw/zinc/19/42/40/1184194240.db2.gz XGZOWEUNTADUEC-ZDUSSCGKSA-N 1 0 386.474 0.908 20 5 GCBDRO COCCC[N@H+](C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000610208123 1184278271 /nfs/dbraw/zinc/27/82/71/1184278271.db2.gz FDJGGODMNPXNLN-UHFFFAOYSA-N 1 0 380.401 0.405 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000579835578 1184308630 /nfs/dbraw/zinc/30/86/30/1184308630.db2.gz GUMYWLSIPBEFIJ-NUEKZKHPSA-N 1 0 375.429 0.980 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000127082755 1184374705 /nfs/dbraw/zinc/37/47/05/1184374705.db2.gz SZRZKCOAYMAFDL-IAGOWNOFSA-N 1 0 386.408 0.508 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000274814107 1184391765 /nfs/dbraw/zinc/39/17/65/1184391765.db2.gz RGLFHLDBYAJARL-GDBMZVCRSA-N 1 0 376.413 0.694 20 5 GCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000458008098 1184463611 /nfs/dbraw/zinc/46/36/11/1184463611.db2.gz DWPWFEAHGBHFQB-DOMZBBRYSA-N 1 0 397.457 0.219 20 5 GCBDRO CN1CC[NH+](CC2(C)CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000359961833 1184504506 /nfs/dbraw/zinc/50/45/06/1184504506.db2.gz TVAXOOSKQKBSLY-UHFFFAOYSA-N 1 0 391.472 0.633 20 5 GCBDRO CCc1n[nH]c(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110740 1184517897 /nfs/dbraw/zinc/51/78/97/1184517897.db2.gz KNJCNEQBSPZXHV-LLVKDONJSA-N 1 0 387.462 0.461 20 5 GCBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275231639 1184560483 /nfs/dbraw/zinc/56/04/83/1184560483.db2.gz JKFAIYSRYMCUDX-CYBMUJFWSA-N 1 0 384.458 0.962 20 5 GCBDRO O=C(COC1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1)NC1CC1 ZINC001167147333 1184590974 /nfs/dbraw/zinc/59/09/74/1184590974.db2.gz MFQVTTYHUXDCRJ-UHFFFAOYSA-N 1 0 376.417 0.336 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275424422 1184663129 /nfs/dbraw/zinc/66/31/29/1184663129.db2.gz DHRRGBZEVPYRAX-LBPRGKRZSA-N 1 0 386.474 0.784 20 5 GCBDRO Cc1ccc([C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N2CCOCC2)o1 ZINC000610335636 1184972822 /nfs/dbraw/zinc/97/28/22/1184972822.db2.gz GUPRECAYIDVCIP-CVEARBPZSA-N 1 0 379.417 0.717 20 5 GCBDRO C[C@H](C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000580090282 1185056109 /nfs/dbraw/zinc/05/61/09/1185056109.db2.gz QJKYBVMJJXBWIQ-GFCCVEGCSA-N 1 0 384.458 0.867 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261607707 1185214123 /nfs/dbraw/zinc/21/41/23/1185214123.db2.gz AGSPCQQJMXEVCD-MNOVXSKESA-N 1 0 385.446 0.240 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261663909 1185226453 /nfs/dbraw/zinc/22/64/53/1185226453.db2.gz CHEJMUJUWYZWPF-UHFFFAOYSA-N 1 0 375.429 0.996 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000261828672 1185266712 /nfs/dbraw/zinc/26/67/12/1185266712.db2.gz YUHGVTHRYBVFRC-NSHDSACASA-N 1 0 385.446 0.255 20 5 GCBDRO C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261842045 1185273721 /nfs/dbraw/zinc/27/37/21/1185273721.db2.gz PQCZLRJYQQFKFP-GXTWGEPZSA-N 1 0 384.458 0.801 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261914801 1185286586 /nfs/dbraw/zinc/28/65/86/1185286586.db2.gz YBPCOYXEHKSGGW-OCCSQVGLSA-N 1 0 384.458 0.849 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261943197 1185291574 /nfs/dbraw/zinc/29/15/74/1185291574.db2.gz NXVFRDONMPLLIJ-AWEZNQCLSA-N 1 0 382.442 0.379 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000119301449 1185314629 /nfs/dbraw/zinc/31/46/29/1185314629.db2.gz LILXPVWGAYTHHW-WBVHZDCISA-N 1 0 388.428 0.726 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000274220871 1185399090 /nfs/dbraw/zinc/39/90/90/1185399090.db2.gz JPIRAKXZTNKYSM-UHFFFAOYSA-N 1 0 396.429 0.270 20 5 GCBDRO C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000471643825 1185566535 /nfs/dbraw/zinc/56/65/35/1185566535.db2.gz KQERWUFCGZOJJS-UHFFFAOYSA-N 1 0 399.473 0.702 20 5 GCBDRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048426847 1185649633 /nfs/dbraw/zinc/64/96/33/1185649633.db2.gz SJROQLGOCGMRRH-AWEZNQCLSA-N 1 0 378.429 0.894 20 5 GCBDRO COc1ccc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430599691 1185679237 /nfs/dbraw/zinc/67/92/37/1185679237.db2.gz GIPUCHYPCIASOS-GFCCVEGCSA-N 1 0 379.417 0.329 20 5 GCBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430601583 1185685514 /nfs/dbraw/zinc/68/55/14/1185685514.db2.gz DPOQEEYODITTKL-GFCCVEGCSA-N 1 0 379.417 0.294 20 5 GCBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274559595 1185733864 /nfs/dbraw/zinc/73/38/64/1185733864.db2.gz ZUJMOTROXWVART-UHFFFAOYSA-N 1 0 399.473 0.609 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430614326 1185776647 /nfs/dbraw/zinc/77/66/47/1185776647.db2.gz YCUVDUQNIPPWCO-STQMWFEESA-N 1 0 393.444 0.717 20 5 GCBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178118089 1185871636 /nfs/dbraw/zinc/87/16/36/1185871636.db2.gz WPCCJXOGWZYWST-AWEZNQCLSA-N 1 0 386.412 0.970 20 5 GCBDRO CC(C)(CO)[NH+]1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000610575742 1186023047 /nfs/dbraw/zinc/02/30/47/1186023047.db2.gz HXVMTWGBLJOJSN-UHFFFAOYSA-N 1 0 392.456 0.960 20 5 GCBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000430902313 1186050017 /nfs/dbraw/zinc/05/00/17/1186050017.db2.gz YVIVIMNWRZPAPV-UHFFFAOYSA-N 1 0 380.449 0.534 20 5 GCBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000276804078 1186074742 /nfs/dbraw/zinc/07/47/42/1186074742.db2.gz LDEPVXHRLBLSBU-UHFFFAOYSA-N 1 0 384.458 0.606 20 5 GCBDRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581998169 1186173909 /nfs/dbraw/zinc/17/39/09/1186173909.db2.gz YGCXOEZPXYXKHG-OAHLLOKOSA-N 1 0 387.458 0.596 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCCn2cncn2)c([N+](=O)[O-])c1 ZINC000277121017 1186244934 /nfs/dbraw/zinc/24/49/34/1186244934.db2.gz OEDLVWKHDVUFOY-UHFFFAOYSA-N 1 0 397.461 0.528 20 5 GCBDRO C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000262438634 1186295767 /nfs/dbraw/zinc/29/57/67/1186295767.db2.gz SNWQUJMAQVOKLA-KBPBESRZSA-N 1 0 396.469 0.816 20 5 GCBDRO C[C@@H](C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)[C@H](C)[NH3+] ZINC000262494100 1186302429 /nfs/dbraw/zinc/30/24/29/1186302429.db2.gz YSOCARBPCITBNS-NEPJUHHUSA-N 1 0 384.458 0.630 20 5 GCBDRO O=C(CNC(=O)NCCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCCCCC1 ZINC000431294728 1186325261 /nfs/dbraw/zinc/32/52/61/1186325261.db2.gz GCXUAKRBSAFMKU-UHFFFAOYSA-N 1 0 381.437 0.083 20 5 GCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000263663326 1186456464 /nfs/dbraw/zinc/45/64/64/1186456464.db2.gz DZHWBODEROXXCO-CQSZACIVSA-N 1 0 399.473 0.597 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000582219816 1186469456 /nfs/dbraw/zinc/46/94/56/1186469456.db2.gz RMGPMEZCLNSHKZ-MSOLQXFVSA-N 1 0 393.419 0.954 20 5 GCBDRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301555 1186490467 /nfs/dbraw/zinc/49/04/67/1186490467.db2.gz KWMUHNIWPQRXCQ-HUUCEWRRSA-N 1 0 390.440 0.979 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563440638 1186615850 /nfs/dbraw/zinc/61/58/50/1186615850.db2.gz INZZUJJEDUHWQZ-QWHCGFSZSA-N 1 0 377.401 0.176 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001648917231 1186640152 /nfs/dbraw/zinc/64/01/52/1186640152.db2.gz CRDRTOBIAUUESL-APHBMKBZSA-N 1 0 396.469 0.720 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611855072 1186657684 /nfs/dbraw/zinc/65/76/84/1186657684.db2.gz KMBQMZMZVQXMIW-UHFFFAOYSA-N 1 0 394.428 0.248 20 5 GCBDRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000582802530 1186684827 /nfs/dbraw/zinc/68/48/27/1186684827.db2.gz FHBUBFKGFVPOKG-HNNXBMFYSA-N 1 0 391.472 0.925 20 5 GCBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000582901365 1186726013 /nfs/dbraw/zinc/72/60/13/1186726013.db2.gz CHLIRKLWPGFDTP-LBPRGKRZSA-N 1 0 382.442 0.568 20 5 GCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000583082589 1186767414 /nfs/dbraw/zinc/76/74/14/1186767414.db2.gz HRHQTJDBGRHERR-DOTOQJQBSA-N 1 0 387.440 0.884 20 5 GCBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000583153629 1186783208 /nfs/dbraw/zinc/78/32/08/1186783208.db2.gz NLDIFBNSVQXWGB-GFCCVEGCSA-N 1 0 375.385 1.126 20 5 GCBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000728551967 1186792754 /nfs/dbraw/zinc/79/27/54/1186792754.db2.gz VDNHRVAOGPEJIG-UHFFFAOYSA-N 1 0 391.384 0.883 20 5 GCBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268266 1186863646 /nfs/dbraw/zinc/86/36/46/1186863646.db2.gz IVMWNBFGZGJFCA-ARFHVFGLSA-N 1 0 384.429 0.680 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000583626517 1186903365 /nfs/dbraw/zinc/90/33/65/1186903365.db2.gz VGRQWQWATDAJIB-HNNXBMFYSA-N 1 0 395.437 0.903 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000583702336 1186921411 /nfs/dbraw/zinc/92/14/11/1186921411.db2.gz QGWFZNAYRHIDSL-UHFFFAOYSA-N 1 0 378.433 0.658 20 5 GCBDRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278667038 1187012102 /nfs/dbraw/zinc/01/21/02/1187012102.db2.gz BHSQPZJJCQZQCU-CQSZACIVSA-N 1 0 398.423 0.993 20 5 GCBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000431550710 1187058092 /nfs/dbraw/zinc/05/80/92/1187058092.db2.gz PKQZPIIALDOZNT-UHFFFAOYSA-N 1 0 380.449 0.534 20 5 GCBDRO C[NH+]1CCN(c2cc(CNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000102333205 1187143693 /nfs/dbraw/zinc/14/36/93/1187143693.db2.gz XXIKDTVMOSEUKV-UHFFFAOYSA-N 1 0 387.444 0.990 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375778489 1187149123 /nfs/dbraw/zinc/14/91/23/1187149123.db2.gz STSKTVROZCXHCA-HOCLYGCPSA-N 1 0 384.458 0.538 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000065791947 1187311585 /nfs/dbraw/zinc/31/15/85/1187311585.db2.gz LESZHNUGNSHTMP-UHFFFAOYSA-N 1 0 384.458 0.552 20 5 GCBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364220954 1187425760 /nfs/dbraw/zinc/42/57/60/1187425760.db2.gz ZYLCXZVNQIXQQR-GUYCJALGSA-N 1 0 394.453 0.427 20 5 GCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000364914927 1187471831 /nfs/dbraw/zinc/47/18/31/1187471831.db2.gz GNIVEXGIZMBQOH-MRXNPFEDSA-N 1 0 395.456 0.494 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000290160931 1187509258 /nfs/dbraw/zinc/50/92/58/1187509258.db2.gz NZLJGTFNDNFCEQ-NEPJUHHUSA-N 1 0 397.457 0.112 20 5 GCBDRO COC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000411911341 1187530825 /nfs/dbraw/zinc/53/08/25/1187530825.db2.gz HETRFRNONCFYNF-ZDUSSCGKSA-N 1 0 394.428 0.969 20 5 GCBDRO COC(=O)[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)C1 ZINC000411921427 1187532712 /nfs/dbraw/zinc/53/27/12/1187532712.db2.gz SKOMHCNHSBBLQK-AWEZNQCLSA-N 1 0 376.413 0.521 20 5 GCBDRO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000188609881 1187637397 /nfs/dbraw/zinc/63/73/97/1187637397.db2.gz QLTBTBYSXANSNE-UHFFFAOYSA-N 1 0 384.396 0.562 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CCC3)CC2)cc1[N+](=O)[O-] ZINC000579946702 1187651608 /nfs/dbraw/zinc/65/16/08/1187651608.db2.gz WFCPBMCPCRFKPY-UHFFFAOYSA-N 1 0 398.441 0.318 20 5 GCBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)nn1 ZINC000580073066 1187663842 /nfs/dbraw/zinc/66/38/42/1187663842.db2.gz XXKWSAXBFKONRN-LBPRGKRZSA-N 1 0 388.384 0.894 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000580197575 1187675224 /nfs/dbraw/zinc/67/52/24/1187675224.db2.gz WHKVAWCXOJBLBE-APHBMKBZSA-N 1 0 396.469 0.849 20 5 GCBDRO O=Cc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000376215076 1187686406 /nfs/dbraw/zinc/68/64/06/1187686406.db2.gz CUHDLLTZCRCMMF-GDBMZVCRSA-N 1 0 377.397 0.844 20 5 GCBDRO O=C(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCCC1 ZINC000581206307 1187710098 /nfs/dbraw/zinc/71/00/98/1187710098.db2.gz XMMFOZRFFLURJC-UHFFFAOYSA-N 1 0 391.428 0.642 20 5 GCBDRO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)NCC[NH+](C)C ZINC000581267237 1187710859 /nfs/dbraw/zinc/71/08/59/1187710859.db2.gz XUPDNPOPLHBSSO-SNVBAGLBSA-N 1 0 375.385 0.645 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000582138116 1187732786 /nfs/dbraw/zinc/73/27/86/1187732786.db2.gz ZGKHOBXJAYEORW-SUMWQHHRSA-N 1 0 380.449 0.400 20 5 GCBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582357126 1187735008 /nfs/dbraw/zinc/73/50/08/1187735008.db2.gz HVDGETBDHYLBQU-DOMZBBRYSA-N 1 0 384.458 0.897 20 5 GCBDRO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000582301553 1187735721 /nfs/dbraw/zinc/73/57/21/1187735721.db2.gz KWMUHNIWPQRXCQ-CABCVRRESA-N 1 0 390.440 0.979 20 5 GCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC000472621719 1187922692 /nfs/dbraw/zinc/92/26/92/1187922692.db2.gz XZRFJTIRKWXENK-OAHLLOKOSA-N 1 0 393.419 0.911 20 5 GCBDRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472621315 1187923787 /nfs/dbraw/zinc/92/37/87/1187923787.db2.gz WZWUCQFJJTVJQB-UHFFFAOYSA-N 1 0 382.392 0.978 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236625670 1188020031 /nfs/dbraw/zinc/02/00/31/1188020031.db2.gz NTHRGXNHTKVGIO-UHFFFAOYSA-N 1 0 375.429 0.745 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415751135 1188155613 /nfs/dbraw/zinc/15/56/13/1188155613.db2.gz VTOHIKCTVBGLMT-NWDGAFQWSA-N 1 0 390.396 0.763 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415744976 1188156343 /nfs/dbraw/zinc/15/63/43/1188156343.db2.gz LYCKKLMBZKRNRB-AAEUAGOBSA-N 1 0 390.396 0.696 20 5 GCBDRO Cc1nn(CCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000103121721 1189410842 /nfs/dbraw/zinc/41/08/42/1189410842.db2.gz VNCFJTPQIRTRBR-UHFFFAOYSA-N 1 0 392.460 0.565 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCn3cncc3C2)c([N+](=O)[O-])c1 ZINC000290596644 1189419138 /nfs/dbraw/zinc/41/91/38/1189419138.db2.gz DLJRZUOWHLGKKV-UHFFFAOYSA-N 1 0 394.457 0.651 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000104069819 1189442046 /nfs/dbraw/zinc/44/20/46/1189442046.db2.gz KQVMBTQXHACPJD-INIZCTEOSA-N 1 0 375.429 0.947 20 5 GCBDRO CN1C(=O)NC2(CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000378323584 1189476507 /nfs/dbraw/zinc/47/65/07/1189476507.db2.gz MBIVSOMWDXYDAA-UHFFFAOYSA-N 1 0 375.385 0.940 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000378423267 1189503183 /nfs/dbraw/zinc/50/31/83/1189503183.db2.gz AYPHNZLDNVFFPD-QGZVFWFLSA-N 1 0 395.456 0.494 20 5 GCBDRO C[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000416587572 1189559220 /nfs/dbraw/zinc/55/92/20/1189559220.db2.gz PXZPHKAUSCOBFK-UHFFFAOYSA-N 1 0 398.485 0.670 20 5 GCBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000417265180 1189636648 /nfs/dbraw/zinc/63/66/48/1189636648.db2.gz AOEQVIJHUVKLIB-LBPRGKRZSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000417265179 1189636848 /nfs/dbraw/zinc/63/68/48/1189636848.db2.gz AOEQVIJHUVKLIB-GFCCVEGCSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417277752 1189638080 /nfs/dbraw/zinc/63/80/80/1189638080.db2.gz GKNYBZFDAQUUDZ-JSGCOSHPSA-N 1 0 399.473 0.642 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417264789 1189638660 /nfs/dbraw/zinc/63/86/60/1189638660.db2.gz ADORAEXGSSGMOK-OLZOCXBDSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]1 ZINC000417266140 1189638750 /nfs/dbraw/zinc/63/87/50/1189638750.db2.gz BYRYPKNRZWMISR-GFCCVEGCSA-N 1 0 385.446 0.314 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000417264846 1189638769 /nfs/dbraw/zinc/63/87/69/1189638769.db2.gz AHHMRAKWSNOQIF-OAHLLOKOSA-N 1 0 399.473 0.690 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417264841 1189638777 /nfs/dbraw/zinc/63/87/77/1189638777.db2.gz AFVZXJRFKARASJ-WFASDCNBSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266119 1189638780 /nfs/dbraw/zinc/63/87/80/1189638780.db2.gz BVPCTRZMZRIPGM-CHWSQXEVSA-N 1 0 399.473 0.642 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266132 1189638789 /nfs/dbraw/zinc/63/87/89/1189638789.db2.gz BXWZPHPFWGWSCB-LBPRGKRZSA-N 1 0 385.446 0.267 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417264791 1189638863 /nfs/dbraw/zinc/63/88/63/1189638863.db2.gz ADORAEXGSSGMOK-STQMWFEESA-N 1 0 399.473 0.690 20 5 GCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282271 1189639563 /nfs/dbraw/zinc/63/95/63/1189639563.db2.gz PKAKVBDWOHSPFM-LBPRGKRZSA-N 1 0 387.462 0.546 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417282863 1189639753 /nfs/dbraw/zinc/63/97/53/1189639753.db2.gz QJOGUCVATAGHMV-OLZOCXBDSA-N 1 0 397.457 0.124 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCC1=CC[NH2+]CC1 ZINC000417284796 1189639923 /nfs/dbraw/zinc/63/99/23/1189639923.db2.gz SWZSFNJTHSXMBA-UHFFFAOYSA-N 1 0 397.457 0.482 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417285340 1189640049 /nfs/dbraw/zinc/64/00/49/1189640049.db2.gz UJINRPVTJRLQLO-OAHLLOKOSA-N 1 0 385.446 0.253 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417282862 1189640140 /nfs/dbraw/zinc/64/01/40/1189640140.db2.gz QJOGUCVATAGHMV-CHWSQXEVSA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417289322 1189640616 /nfs/dbraw/zinc/64/06/16/1189640616.db2.gz ZVZZYQFVYBPPIF-NEPJUHHUSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000417301196 1189641471 /nfs/dbraw/zinc/64/14/71/1189641471.db2.gz ADPKMFZTSXJGST-RISCZKNCSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417307638 1189643723 /nfs/dbraw/zinc/64/37/23/1189643723.db2.gz DWMFLJXREPBYIO-CHWSQXEVSA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307421 1189643877 /nfs/dbraw/zinc/64/38/77/1189643877.db2.gz BHUDOIZKIUTFDG-SWLSCSKDSA-N 1 0 399.473 0.784 20 5 GCBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307060 1189644114 /nfs/dbraw/zinc/64/41/14/1189644114.db2.gz DKPOEHQGORNSAN-FZMZJTMJSA-N 1 0 385.446 0.170 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]1 ZINC000417320926 1189646690 /nfs/dbraw/zinc/64/66/90/1189646690.db2.gz KQYBJGGFOIWJDU-GFCCVEGCSA-N 1 0 385.446 0.314 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417320977 1189646761 /nfs/dbraw/zinc/64/67/61/1189646761.db2.gz KYMUYIGXFMHWPO-JSGCOSHPSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000417320964 1189646782 /nfs/dbraw/zinc/64/67/82/1189646782.db2.gz KVGWMGOZDBXJIZ-OLZOCXBDSA-N 1 0 399.473 0.499 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417324588 1189647809 /nfs/dbraw/zinc/64/78/09/1189647809.db2.gz PXWGGPHDNOSSSJ-SWLSCSKDSA-N 1 0 397.457 0.267 20 5 GCBDRO CC1(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000417344457 1189651024 /nfs/dbraw/zinc/65/10/24/1189651024.db2.gz SAKNLYUNLDSYDV-UHFFFAOYSA-N 1 0 399.473 0.562 20 5 GCBDRO COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482628 1189669499 /nfs/dbraw/zinc/66/94/99/1189669499.db2.gz VQHAPFLHBMIIHJ-WMLDXEAASA-N 1 0 380.401 0.301 20 5 GCBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584839982 1189686529 /nfs/dbraw/zinc/68/65/29/1189686529.db2.gz MBMMDXBWNFABNX-ZDUSSCGKSA-N 1 0 384.458 0.993 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000417675082 1189695473 /nfs/dbraw/zinc/69/54/73/1189695473.db2.gz BKWBGXISWRDORT-CYBMUJFWSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417678982 1189696191 /nfs/dbraw/zinc/69/61/91/1189696191.db2.gz KQFXGRKDIHAILI-STQMWFEESA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417682547 1189696209 /nfs/dbraw/zinc/69/62/09/1189696209.db2.gz SPDZIIPMZUDBGZ-VXGBXAGGSA-N 1 0 385.446 0.313 20 5 GCBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685213 1189696590 /nfs/dbraw/zinc/69/65/90/1189696590.db2.gz YCUJOSNYKXWTJU-RYUDHWBXSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417688784 1189696687 /nfs/dbraw/zinc/69/66/87/1189696687.db2.gz FBOMDLWDLJAFAN-CHWSQXEVSA-N 1 0 399.473 0.784 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690112 1189696754 /nfs/dbraw/zinc/69/67/54/1189696754.db2.gz HEYLPRXTBKDLKO-STQMWFEESA-N 1 0 399.473 0.642 20 5 GCBDRO CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000417707620 1189698707 /nfs/dbraw/zinc/69/87/07/1189698707.db2.gz XUNLKXSOTWDSIP-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417763454 1189703065 /nfs/dbraw/zinc/70/30/65/1189703065.db2.gz KNVLOUZFAAQYEX-MRXNPFEDSA-N 1 0 389.456 0.991 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418029153 1189713836 /nfs/dbraw/zinc/71/38/36/1189713836.db2.gz ZAOQKDDYZZRFDF-INIZCTEOSA-N 1 0 382.442 0.764 20 5 GCBDRO C[NH2+]CCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418278270 1189745676 /nfs/dbraw/zinc/74/56/76/1189745676.db2.gz LJBCEIABCFYLLN-UHFFFAOYSA-N 1 0 399.473 0.439 20 5 GCBDRO CC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000418319593 1189758395 /nfs/dbraw/zinc/75/83/95/1189758395.db2.gz CCAPEOBYCSADMR-UHFFFAOYSA-N 1 0 399.473 0.529 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418362263 1189768438 /nfs/dbraw/zinc/76/84/38/1189768438.db2.gz AYRSMZDMFXXZJD-ZDUSSCGKSA-N 1 0 399.473 0.466 20 5 GCBDRO [NH3+][C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418496973 1189802834 /nfs/dbraw/zinc/80/28/34/1189802834.db2.gz JBSDQHGWIVGYTA-OAHLLOKOSA-N 1 0 397.457 0.348 20 5 GCBDRO C[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000110613310 1189805759 /nfs/dbraw/zinc/80/57/59/1189805759.db2.gz YQTCNQYQNQNINN-ZDUSSCGKSA-N 1 0 395.485 0.625 20 5 GCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000549544258 1190034521 /nfs/dbraw/zinc/03/45/21/1190034521.db2.gz DGQFXRZWJXEYBP-OAHLLOKOSA-N 1 0 392.437 0.687 20 5 GCBDRO Cc1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000512651330 1193728276 /nfs/dbraw/zinc/72/82/76/1193728276.db2.gz SKKDAABDHDLQEQ-AWEZNQCLSA-N 1 0 388.428 0.645 20 5 GCBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419349224 1193844681 /nfs/dbraw/zinc/84/46/81/1193844681.db2.gz MFLYESYXCKIILB-LBPRGKRZSA-N 1 0 376.417 0.919 20 5 GCBDRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000513103864 1193883460 /nfs/dbraw/zinc/88/34/60/1193883460.db2.gz ZOAAHKLMJIUVFK-BETUJISGSA-N 1 0 384.458 0.814 20 5 GCBDRO CN(CC(=O)N1CCC2(CC[NH2+]C2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261834564 1193928150 /nfs/dbraw/zinc/92/81/50/1193928150.db2.gz PBJPHESPQXIPKZ-UHFFFAOYSA-N 1 0 396.469 0.817 20 5 GCBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262115126 1193939725 /nfs/dbraw/zinc/93/97/25/1193939725.db2.gz VZAMFPSKJFGVDE-CYBMUJFWSA-N 1 0 376.335 0.926 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182950481 1193965731 /nfs/dbraw/zinc/96/57/31/1193965731.db2.gz ZOBGZOSKMKOFTA-SFHVURJKSA-N 1 0 381.477 0.977 20 5 GCBDRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000280519945 1194003178 /nfs/dbraw/zinc/00/31/78/1194003178.db2.gz DUUDMDLEETXGFF-GOSISDBHSA-N 1 0 375.429 0.441 20 5 GCBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000419455683 1194033101 /nfs/dbraw/zinc/03/31/01/1194033101.db2.gz PYUDPDKYDTTXIF-CQSZACIVSA-N 1 0 377.445 0.889 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000419457243 1194033822 /nfs/dbraw/zinc/03/38/22/1194033822.db2.gz VNIORKKUPYJGIG-GJZGRUSLSA-N 1 0 389.456 0.889 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000419457692 1194033933 /nfs/dbraw/zinc/03/39/33/1194033933.db2.gz XHNWELXAOTWSEQ-ZDUSSCGKSA-N 1 0 379.417 0.008 20 5 GCBDRO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000419808646 1194111959 /nfs/dbraw/zinc/11/19/59/1194111959.db2.gz VIHWRJICSGFDAM-UHFFFAOYSA-N 1 0 390.444 0.416 20 5 GCBDRO [NH3+][C@@H](CNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000419856736 1194123171 /nfs/dbraw/zinc/12/31/71/1194123171.db2.gz FPKPFWHHGKWYRA-INIZCTEOSA-N 1 0 376.413 0.818 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000419862540 1194125176 /nfs/dbraw/zinc/12/51/76/1194125176.db2.gz GUMOKWLKFHMYBN-UHFFFAOYSA-N 1 0 397.863 0.318 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[NH2+]C1 ZINC000419902014 1194136965 /nfs/dbraw/zinc/13/69/65/1194136965.db2.gz UDJMYMZDEJCSEP-GJZGRUSLSA-N 1 0 389.456 0.748 20 5 GCBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419921414 1194139193 /nfs/dbraw/zinc/13/91/93/1194139193.db2.gz XZCZRKLMDCYSRR-AWEZNQCLSA-N 1 0 375.429 0.359 20 5 GCBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419978532 1194151210 /nfs/dbraw/zinc/15/12/10/1194151210.db2.gz OGVMPYRJHPNVRX-HNNXBMFYSA-N 1 0 389.456 0.749 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420011129 1194157207 /nfs/dbraw/zinc/15/72/07/1194157207.db2.gz GGMDYDVPOXEHMH-KGLIPLIRSA-N 1 0 390.444 0.272 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420015021 1194162239 /nfs/dbraw/zinc/16/22/39/1194162239.db2.gz KSDIBIITZOWSTM-CABCVRRESA-N 1 0 389.456 0.877 20 5 GCBDRO C[C@]1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC000420101138 1194177862 /nfs/dbraw/zinc/17/78/62/1194177862.db2.gz LHJFBVSZPFZTOV-SFHVURJKSA-N 1 0 376.413 0.690 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000420122232 1194187677 /nfs/dbraw/zinc/18/76/77/1194187677.db2.gz LGNRRWQBRWHBDM-UONOGXRCSA-N 1 0 375.429 0.500 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(N3C[C@H]4C[NH2+]C[C@H]4C3)c([N+](=O)[O-])c2)CC1 ZINC000420248118 1194218038 /nfs/dbraw/zinc/21/80/38/1194218038.db2.gz WAIASLMBVKZHFJ-OKILXGFUSA-N 1 0 395.485 0.187 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420265746 1194218488 /nfs/dbraw/zinc/21/84/88/1194218488.db2.gz FHGQNMHOCVXMKE-AWEZNQCLSA-N 1 0 383.474 0.695 20 5 GCBDRO COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420267543 1194218678 /nfs/dbraw/zinc/21/86/78/1194218678.db2.gz GWSSKUVFYNCFLA-WCQYABFASA-N 1 0 379.417 0.202 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349102 1194222955 /nfs/dbraw/zinc/22/29/55/1194222955.db2.gz NSPATQVDNVXIGV-UONOGXRCSA-N 1 0 377.445 0.910 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC(=O)N2CCN(C)CC2)c1F ZINC000413439426 1194261289 /nfs/dbraw/zinc/26/12/89/1194261289.db2.gz NPJLQWUJQXCOER-UHFFFAOYSA-N 1 0 382.392 0.565 20 5 GCBDRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000420894775 1194272421 /nfs/dbraw/zinc/27/24/21/1194272421.db2.gz XSWSYNUDPXQFCP-UHFFFAOYSA-N 1 0 390.444 0.239 20 5 GCBDRO C[N@H+](CCCN1CCOCC1)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420970317 1194279169 /nfs/dbraw/zinc/27/91/69/1194279169.db2.gz FFYDHHKKEBLPQH-UHFFFAOYSA-N 1 0 386.474 0.527 20 5 GCBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCNC(=O)CC1 ZINC000420969104 1194279279 /nfs/dbraw/zinc/27/92/79/1194279279.db2.gz AYFGGFXCONBXLV-CYBMUJFWSA-N 1 0 384.458 0.721 20 5 GCBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366799449 1194301466 /nfs/dbraw/zinc/30/14/66/1194301466.db2.gz GXPXKBZETYPWRL-ZFWWWQNUSA-N 1 0 378.385 0.521 20 5 GCBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823575 1194346944 /nfs/dbraw/zinc/34/69/44/1194346944.db2.gz VSYOINRWITXHEJ-KGLIPLIRSA-N 1 0 394.428 0.755 20 5 GCBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823577 1194347229 /nfs/dbraw/zinc/34/72/29/1194347229.db2.gz VSYOINRWITXHEJ-ZIAGYGMSSA-N 1 0 394.428 0.755 20 5 GCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422188112 1194404124 /nfs/dbraw/zinc/40/41/24/1194404124.db2.gz LRHKNQMCSGHROZ-CQSZACIVSA-N 1 0 392.460 0.485 20 5 GCBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000503188087 1194404375 /nfs/dbraw/zinc/40/43/75/1194404375.db2.gz GKUWPQPSVKXXBH-OAHLLOKOSA-N 1 0 384.458 0.864 20 5 GCBDRO C[C@@H]1[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[N@@H+]1C ZINC000422425275 1194637892 /nfs/dbraw/zinc/63/78/92/1194637892.db2.gz MBNVJDGDZPUYLI-ZIAGYGMSSA-N 1 0 390.444 0.237 20 5 GCBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCS(=O)(=O)C1 ZINC000503471277 1194675466 /nfs/dbraw/zinc/67/54/66/1194675466.db2.gz PXAZCNHTDUACKO-ZDUSSCGKSA-N 1 0 386.474 0.904 20 5 GCBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422915354 1194707570 /nfs/dbraw/zinc/70/75/70/1194707570.db2.gz AXQGDICJTXPIQU-KBPBESRZSA-N 1 0 396.469 0.816 20 5 GCBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000422925432 1194708319 /nfs/dbraw/zinc/70/83/19/1194708319.db2.gz VEMORFPMPCGVAO-CJNGLKHVSA-N 1 0 396.469 0.816 20 5 GCBDRO [NH3+][C@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000422918949 1194710706 /nfs/dbraw/zinc/71/07/06/1194710706.db2.gz JCSRSEIVHQEYTL-HNNXBMFYSA-N 1 0 382.442 0.555 20 5 GCBDRO [NH3+][C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000422919633 1194710856 /nfs/dbraw/zinc/71/08/56/1194710856.db2.gz KOHYSPRYEIZQPT-HNNXBMFYSA-N 1 0 382.442 0.555 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@@H]1[NH3+] ZINC000422986632 1194713228 /nfs/dbraw/zinc/71/32/28/1194713228.db2.gz CYSYEYPRBOTZFO-KGLIPLIRSA-N 1 0 375.429 0.439 20 5 GCBDRO [NH3+]CC1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422986115 1194715373 /nfs/dbraw/zinc/71/53/73/1194715373.db2.gz BMOHRJDRARQUAM-UHFFFAOYSA-N 1 0 375.429 0.441 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423150248 1194731548 /nfs/dbraw/zinc/73/15/48/1194731548.db2.gz IMKBHZOYZBFLFU-CABCVRRESA-N 1 0 389.456 0.829 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423150253 1194731738 /nfs/dbraw/zinc/73/17/38/1194731738.db2.gz IMKBHZOYZBFLFU-HUUCEWRRSA-N 1 0 389.456 0.829 20 5 GCBDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000423583060 1194770450 /nfs/dbraw/zinc/77/04/50/1194770450.db2.gz YQTWKJPMXOIYTK-UHFFFAOYSA-N 1 0 376.413 0.642 20 5 GCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423582523 1194770678 /nfs/dbraw/zinc/77/06/78/1194770678.db2.gz GVUKNYBIPAONOX-QGZVFWFLSA-N 1 0 389.456 0.102 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423699621 1194783905 /nfs/dbraw/zinc/78/39/05/1194783905.db2.gz RLTZURCFAXJZEY-CABCVRRESA-N 1 0 387.440 0.596 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423679980 1194785047 /nfs/dbraw/zinc/78/50/47/1194785047.db2.gz DUEWROIVHWMAAK-KGLIPLIRSA-N 1 0 390.444 0.367 20 5 GCBDRO CN(C(=O)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423690909 1194786349 /nfs/dbraw/zinc/78/63/49/1194786349.db2.gz ZGBLRZHFWIYDRP-BPUTZDHNSA-N 1 0 376.413 0.092 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCO1 ZINC000423707005 1194786804 /nfs/dbraw/zinc/78/68/04/1194786804.db2.gz KDMOKKKGDPIDEM-DOTOQJQBSA-N 1 0 390.440 0.877 20 5 GCBDRO CC1(C)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423708461 1194787016 /nfs/dbraw/zinc/78/70/16/1194787016.db2.gz MIOJAJJBKZVUJI-HNNXBMFYSA-N 1 0 396.469 0.958 20 5 GCBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423715916 1194788142 /nfs/dbraw/zinc/78/81/42/1194788142.db2.gz HYYQRPLYJCUKDS-AWEZNQCLSA-N 1 0 390.444 0.239 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H]1C[NH3+] ZINC000423746939 1194791609 /nfs/dbraw/zinc/79/16/09/1194791609.db2.gz YLPAMSBUZNJCAF-HIFRSBDPSA-N 1 0 390.444 0.224 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1C[NH3+] ZINC000423738409 1194792827 /nfs/dbraw/zinc/79/28/27/1194792827.db2.gz QMCLOXMIAXFWAA-WMLDXEAASA-N 1 0 389.456 0.829 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)CC[NH3+])CC1 ZINC000424003552 1194798761 /nfs/dbraw/zinc/79/87/61/1194798761.db2.gz LHRDDWQMLKZAPN-UHFFFAOYSA-N 1 0 384.458 0.721 20 5 GCBDRO C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424018354 1194799239 /nfs/dbraw/zinc/79/92/39/1194799239.db2.gz PYTZXZLVNFGBPF-STQMWFEESA-N 1 0 384.458 0.707 20 5 GCBDRO O=C(NCC[NH+]1CCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000505442493 1194854352 /nfs/dbraw/zinc/85/43/52/1194854352.db2.gz SHAOZFHPBNEQHS-INIZCTEOSA-N 1 0 396.469 0.960 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975711 1194880975 /nfs/dbraw/zinc/88/09/75/1194880975.db2.gz FVDUXUFPNPBSRV-UONOGXRCSA-N 1 0 396.444 0.555 20 5 GCBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000505637211 1194904216 /nfs/dbraw/zinc/90/42/16/1194904216.db2.gz RWLGLXIOLGMLHC-MRXNPFEDSA-N 1 0 382.442 0.800 20 5 GCBDRO COc1c(N)ncnc1NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000514872082 1194923912 /nfs/dbraw/zinc/92/39/12/1194923912.db2.gz GELFLSHYNUBMPA-UHFFFAOYSA-N 1 0 382.402 0.903 20 5 GCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000515165843 1194951468 /nfs/dbraw/zinc/95/14/68/1194951468.db2.gz KRNQQBZVHVXAME-AWEZNQCLSA-N 1 0 399.469 0.881 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCC2C[NH2+]C2)CC1 ZINC000261928937 1194969207 /nfs/dbraw/zinc/96/92/07/1194969207.db2.gz CDYROQRLEXXOOJ-UHFFFAOYSA-N 1 0 396.469 0.640 20 5 GCBDRO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000515433364 1194975597 /nfs/dbraw/zinc/97/55/97/1194975597.db2.gz SDWQFUODTNWGMD-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436063802 1194983331 /nfs/dbraw/zinc/98/33/31/1194983331.db2.gz LPVVSKQEKCVKKG-AWEZNQCLSA-N 1 0 393.444 0.861 20 5 GCBDRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516456529 1195054299 /nfs/dbraw/zinc/05/42/99/1195054299.db2.gz IMFORJIWPTWNKP-CQSZACIVSA-N 1 0 394.432 0.387 20 5 GCBDRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516456528 1195054526 /nfs/dbraw/zinc/05/45/26/1195054526.db2.gz IMFORJIWPTWNKP-AWEZNQCLSA-N 1 0 394.432 0.387 20 5 GCBDRO C[NH+](C)C1(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000506016490 1195090705 /nfs/dbraw/zinc/09/07/05/1195090705.db2.gz CUTRKZJQYPKYER-UHFFFAOYSA-N 1 0 392.412 0.547 20 5 GCBDRO CCC[N@H+](C)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000517347545 1195174440 /nfs/dbraw/zinc/17/44/40/1195174440.db2.gz DHUCJIMZJFRLMY-UHFFFAOYSA-N 1 0 398.485 0.989 20 5 GCBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000517362887 1195175460 /nfs/dbraw/zinc/17/54/60/1195175460.db2.gz CXTCLSLESSZZET-GXTWGEPZSA-N 1 0 396.469 0.645 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517722172 1195210266 /nfs/dbraw/zinc/21/02/66/1195210266.db2.gz QABQBKWUXLECCE-UKRRQHHQSA-N 1 0 390.444 0.272 20 5 GCBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517953810 1195232148 /nfs/dbraw/zinc/23/21/48/1195232148.db2.gz VGJJNCMPOFQANL-AWEZNQCLSA-N 1 0 384.458 0.864 20 5 GCBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000518137503 1195251559 /nfs/dbraw/zinc/25/15/59/1195251559.db2.gz HFIOSHZQRCITKC-GFCCVEGCSA-N 1 0 399.473 0.502 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518307136 1195278117 /nfs/dbraw/zinc/27/81/17/1195278117.db2.gz OZTNHCUDMHETFF-OAHLLOKOSA-N 1 0 379.417 0.613 20 5 GCBDRO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000518803505 1195335575 /nfs/dbraw/zinc/33/55/75/1195335575.db2.gz FFFBHFHFPDZEFG-HNNXBMFYSA-N 1 0 384.458 0.720 20 5 GCBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000440364509 1195411762 /nfs/dbraw/zinc/41/17/62/1195411762.db2.gz LHKNWFAWKODPSK-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO O=C(NCC1C[NH2+]C1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000262018389 1195418466 /nfs/dbraw/zinc/41/84/66/1195418466.db2.gz LRXZUCRBXITWAN-CYBMUJFWSA-N 1 0 382.442 0.331 20 5 GCBDRO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000550044148 1195423955 /nfs/dbraw/zinc/42/39/55/1195423955.db2.gz HDFFXRVJWDJEMB-UHFFFAOYSA-N 1 0 390.444 0.239 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000426957867 1195495262 /nfs/dbraw/zinc/49/52/62/1195495262.db2.gz ZKGHAOJTHIALFH-SFHVURJKSA-N 1 0 388.428 0.728 20 5 GCBDRO COc1ccc(NC(=O)CC[NH+]2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000536343159 1195741213 /nfs/dbraw/zinc/74/12/13/1195741213.db2.gz DNFPUEGPDMOSJM-UHFFFAOYSA-N 1 0 391.384 0.606 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000441629189 1195802011 /nfs/dbraw/zinc/80/20/11/1195802011.db2.gz VXNFHSMSWXICKA-CHWSQXEVSA-N 1 0 384.458 0.707 20 5 GCBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C[C@@H]1O ZINC000508367908 1195921176 /nfs/dbraw/zinc/92/11/76/1195921176.db2.gz CGGKYZYYXCJQKN-WBMJQRKESA-N 1 0 386.474 0.642 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000521402689 1195994344 /nfs/dbraw/zinc/99/43/44/1195994344.db2.gz HQRGECKIQZQJQE-UHFFFAOYSA-N 1 0 399.473 0.233 20 5 GCBDRO COCC[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]C1 ZINC000429680406 1196076434 /nfs/dbraw/zinc/07/64/34/1196076434.db2.gz IDSIHGHVVJIFJS-KRWDZBQOSA-N 1 0 396.469 0.957 20 5 GCBDRO COCC(=O)N1CCC([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000474359498 1196111683 /nfs/dbraw/zinc/11/16/83/1196111683.db2.gz YDMJCUWNCGPCTG-UHFFFAOYSA-N 1 0 395.412 0.874 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000474784088 1196149409 /nfs/dbraw/zinc/14/94/09/1196149409.db2.gz OCNNGPVHPSJQBQ-HIFRSBDPSA-N 1 0 395.508 0.969 20 5 GCBDRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000474980940 1196205407 /nfs/dbraw/zinc/20/54/07/1196205407.db2.gz MLMOLKHBYDTUFC-LBPRGKRZSA-N 1 0 396.469 0.834 20 5 GCBDRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280953104 1196268380 /nfs/dbraw/zinc/26/83/80/1196268380.db2.gz IVQGPDRNFJDVEF-UHFFFAOYSA-N 1 0 385.446 0.442 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000281046114 1196271353 /nfs/dbraw/zinc/27/13/53/1196271353.db2.gz JPRLRDCTPANWOK-UHFFFAOYSA-N 1 0 392.456 0.776 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000281143913 1196278341 /nfs/dbraw/zinc/27/83/41/1196278341.db2.gz VKIZWOHFMHHKLK-UHFFFAOYSA-N 1 0 378.429 0.766 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000281639488 1196317132 /nfs/dbraw/zinc/31/71/32/1196317132.db2.gz QOBDTTDKYBXENH-QWHCGFSZSA-N 1 0 394.428 0.247 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000281734322 1196327839 /nfs/dbraw/zinc/32/78/39/1196327839.db2.gz UCBWTPZUJLMBOJ-UHFFFAOYSA-N 1 0 393.444 0.686 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000281750648 1196330172 /nfs/dbraw/zinc/33/01/72/1196330172.db2.gz VXSZZUFDANVQFL-ZDUSSCGKSA-N 1 0 379.417 0.294 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000522829639 1196349114 /nfs/dbraw/zinc/34/91/14/1196349114.db2.gz OUTSPPDBTWCPSI-ZDUSSCGKSA-N 1 0 391.428 0.545 20 5 GCBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444161811 1196355565 /nfs/dbraw/zinc/35/55/65/1196355565.db2.gz QGSOGZZMGCUHDJ-NVXWUHKLSA-N 1 0 394.453 0.427 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000523596054 1196537138 /nfs/dbraw/zinc/53/71/38/1196537138.db2.gz SKPPFRVTPRFWBY-CYBMUJFWSA-N 1 0 385.446 0.267 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000524419898 1196594410 /nfs/dbraw/zinc/59/44/10/1196594410.db2.gz FZWUCBPEOXEVNO-LBPRGKRZSA-N 1 0 392.412 0.683 20 5 GCBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000524620338 1196611088 /nfs/dbraw/zinc/61/10/88/1196611088.db2.gz MUIGVPVAKXKEPT-UHFFFAOYSA-N 1 0 381.408 0.989 20 5 GCBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524720831 1196619003 /nfs/dbraw/zinc/61/90/03/1196619003.db2.gz CTGCXVALSKLONO-CYBMUJFWSA-N 1 0 384.458 0.721 20 5 GCBDRO Cc1nn(CCC(=O)N2CCN(CCn3cncn3)CC2)c(C)c1[N+](=O)[O-] ZINC000524823537 1196630842 /nfs/dbraw/zinc/63/08/42/1196630842.db2.gz AOZDTZSYPGIHLG-UHFFFAOYSA-N 1 0 376.421 0.234 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000525106751 1196648852 /nfs/dbraw/zinc/64/88/52/1196648852.db2.gz VWLUEOODWYNZIH-CQSZACIVSA-N 1 0 384.458 0.816 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000525335261 1196670767 /nfs/dbraw/zinc/67/07/67/1196670767.db2.gz SEJIIJDRJRAELE-OAHLLOKOSA-N 1 0 395.508 0.971 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000429709129 1196694542 /nfs/dbraw/zinc/69/45/42/1196694542.db2.gz OXOYTYDJCGQJBF-UHFFFAOYSA-N 1 0 398.485 0.623 20 5 GCBDRO CCN1CC[NH+](C[C@@H](C)CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000525960520 1196729954 /nfs/dbraw/zinc/72/99/54/1196729954.db2.gz MCADDBLUHZCRGK-ZDUSSCGKSA-N 1 0 385.490 0.928 20 5 GCBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429720157 1196736454 /nfs/dbraw/zinc/73/64/54/1196736454.db2.gz PKMASETWQXRHCA-CABCVRRESA-N 1 0 396.469 0.934 20 5 GCBDRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000145569118 1196818958 /nfs/dbraw/zinc/81/89/58/1196818958.db2.gz KTEYBKAPZACJJN-HLLBOEOZSA-N 1 0 379.461 0.582 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448684070 1196823611 /nfs/dbraw/zinc/82/36/11/1196823611.db2.gz GPZZKFGVMCNARU-UHFFFAOYSA-N 1 0 386.412 0.627 20 5 GCBDRO Cc1cc(=O)c(C(=O)NC[C@@H]2C[NH2+]CCCO2)nn1-c1ccccc1[N+](=O)[O-] ZINC000449708941 1196893778 /nfs/dbraw/zinc/89/37/78/1196893778.db2.gz WYTRWVWWGOJPAD-ZDUSSCGKSA-N 1 0 387.396 0.557 20 5 GCBDRO CN(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449729770 1196895008 /nfs/dbraw/zinc/89/50/08/1196895008.db2.gz OGOSFJIHOXWFEO-NSHDSACASA-N 1 0 398.363 0.611 20 5 GCBDRO CC[C@@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C(=O)NC ZINC000450938252 1196962023 /nfs/dbraw/zinc/96/20/23/1196962023.db2.gz IMDQKHDKCKFXHU-GFCCVEGCSA-N 1 0 387.462 0.371 20 5 GCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000530768392 1197015121 /nfs/dbraw/zinc/01/51/21/1197015121.db2.gz AVTUCASSLRGAEP-ZDUSSCGKSA-N 1 0 399.473 0.514 20 5 GCBDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000530810948 1197018027 /nfs/dbraw/zinc/01/80/27/1197018027.db2.gz BANZJHNCXJTSEW-AWEZNQCLSA-N 1 0 390.444 0.049 20 5 GCBDRO CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530958098 1197031022 /nfs/dbraw/zinc/03/10/22/1197031022.db2.gz XPMHRUFYUMZACI-CYBMUJFWSA-N 1 0 381.385 0.131 20 5 GCBDRO NC(=O)c1ccc(SCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000452350869 1197053249 /nfs/dbraw/zinc/05/32/49/1197053249.db2.gz OZRFQATVZRUJED-ZDUSSCGKSA-N 1 0 396.469 0.749 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452383102 1197055954 /nfs/dbraw/zinc/05/59/54/1197055954.db2.gz OFFMNHPYASVXRM-ZIAGYGMSSA-N 1 0 382.465 0.790 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452366654 1197056531 /nfs/dbraw/zinc/05/65/31/1197056531.db2.gz OWZXLFLEDJKDKS-UONOGXRCSA-N 1 0 382.465 0.790 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452379263 1197058501 /nfs/dbraw/zinc/05/85/01/1197058501.db2.gz ZITZDOJJSXFMIM-ZDUSSCGKSA-N 1 0 392.412 0.283 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452785945 1197081289 /nfs/dbraw/zinc/08/12/89/1197081289.db2.gz WANLRCXMTKFQCJ-XJKSGUPXSA-N 1 0 378.429 0.676 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452785944 1197081365 /nfs/dbraw/zinc/08/13/65/1197081365.db2.gz WANLRCXMTKFQCJ-CZUORRHYSA-N 1 0 378.429 0.676 20 5 GCBDRO NC(=O)c1ccc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)c([N+](=O)[O-])c1 ZINC000520225476 1197094008 /nfs/dbraw/zinc/09/40/08/1197094008.db2.gz IBGBJXCITMMZPY-PXAZEXFGSA-N 1 0 375.385 0.633 20 5 GCBDRO CCC[C@@](C)([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743433 1197404612 /nfs/dbraw/zinc/40/46/12/1197404612.db2.gz KMWSUWNKKOIAMU-MRXNPFEDSA-N 1 0 384.458 0.945 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000533174041 1197436906 /nfs/dbraw/zinc/43/69/06/1197436906.db2.gz DOKDCMPJDMOKDQ-YNEHKIRRSA-N 1 0 387.462 0.683 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000533174038 1197436930 /nfs/dbraw/zinc/43/69/30/1197436930.db2.gz DOKDCMPJDMOKDQ-FRRDWIJNSA-N 1 0 387.462 0.683 20 5 GCBDRO Cc1nn(CCC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(C)c1[N+](=O)[O-] ZINC000428614348 1197554173 /nfs/dbraw/zinc/55/41/73/1197554173.db2.gz WBAHRGJLLPHRFB-HNNXBMFYSA-N 1 0 392.460 0.469 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396027 1198976138 /nfs/dbraw/zinc/97/61/38/1198976138.db2.gz VQPRSLIZXYXMKP-DOTOQJQBSA-N 1 0 392.456 0.573 20 5 GCBDRO NS(=O)(=O)c1cccc(N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000273481507 1199017428 /nfs/dbraw/zinc/01/74/28/1199017428.db2.gz MNJUVIUPQPXQMA-UHFFFAOYSA-N 1 0 384.458 0.791 20 5 GCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273521765 1199021452 /nfs/dbraw/zinc/02/14/52/1199021452.db2.gz WVPUELISBMDPBD-CYBMUJFWSA-N 1 0 399.473 0.597 20 5 GCBDRO Cn1c(Sc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000273515155 1199023260 /nfs/dbraw/zinc/02/32/60/1199023260.db2.gz VQOMTJMEBDKMII-SECBINFHSA-N 1 0 398.470 0.989 20 5 GCBDRO Cn1c(Sc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000273515158 1199023262 /nfs/dbraw/zinc/02/32/62/1199023262.db2.gz VQOMTJMEBDKMII-VIFPVBQESA-N 1 0 398.470 0.989 20 5 GCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000465745038 1199043085 /nfs/dbraw/zinc/04/30/85/1199043085.db2.gz QEOBRMPKZGICFY-CQSZACIVSA-N 1 0 399.473 0.657 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1=O ZINC000425315710 1199562309 /nfs/dbraw/zinc/56/23/09/1199562309.db2.gz KSJUHRPRJGKSBM-ZDUSSCGKSA-N 1 0 394.428 0.512 20 5 GCBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000530669731 1199630963 /nfs/dbraw/zinc/63/09/63/1199630963.db2.gz RDOVFWIYEWJGSC-UHFFFAOYSA-N 1 0 384.458 0.791 20 5 GCBDRO C[C@H]([NH3+])C1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428911279 1199837259 /nfs/dbraw/zinc/83/72/59/1199837259.db2.gz IXYZYZVNEAZJEN-LBPRGKRZSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000428979839 1199870344 /nfs/dbraw/zinc/87/03/44/1199870344.db2.gz SWUSQJSLEGSSFK-NWDGAFQWSA-N 1 0 399.473 0.549 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(NC(=[NH2+])N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001168736862 1199895368 /nfs/dbraw/zinc/89/53/68/1199895368.db2.gz QLHWVUOVFYJDCR-UHFFFAOYSA-N 1 0 394.388 0.013 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000429130844 1199939267 /nfs/dbraw/zinc/93/92/67/1199939267.db2.gz ATRLPSUVSCHDFR-OLZOCXBDSA-N 1 0 384.458 0.849 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc2[N+](=O)[O-])CC1 ZINC000429148232 1199953310 /nfs/dbraw/zinc/95/33/10/1199953310.db2.gz GXPWVENZIPPPFO-HNNXBMFYSA-N 1 0 377.445 0.976 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429231389 1200255469 /nfs/dbraw/zinc/25/54/69/1200255469.db2.gz GCORVSZEECOYSR-IUODEOHRSA-N 1 0 384.458 0.720 20 5 GCBDRO COCC[N@H+](C)CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265913649 1200334141 /nfs/dbraw/zinc/33/41/41/1200334141.db2.gz LEFDFLXNTFNUBU-UHFFFAOYSA-N 1 0 393.444 0.640 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245923340 1200382765 /nfs/dbraw/zinc/38/27/65/1200382765.db2.gz SZRZKCOAYMAFDL-IRXDYDNUSA-N 1 0 386.408 0.508 20 5 GCBDRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041719834 1200391421 /nfs/dbraw/zinc/39/14/21/1200391421.db2.gz XJHJIIQAYDDCSG-UHFFFAOYSA-N 1 0 377.445 0.986 20 5 GCBDRO CNc1nccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000594263391 1200736544 /nfs/dbraw/zinc/73/65/44/1200736544.db2.gz ZYBCJZJLBTVBAX-CYBMUJFWSA-N 1 0 376.417 0.586 20 5 GCBDRO CNc1nccc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000594233421 1200741830 /nfs/dbraw/zinc/74/18/30/1200741830.db2.gz ZMUKTWRAPZUTON-UHFFFAOYSA-N 1 0 386.412 1.575 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429407620 1200988875 /nfs/dbraw/zinc/98/88/75/1200988875.db2.gz RIZKUHAKJGRRPM-UONOGXRCSA-N 1 0 398.485 0.967 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000461993826 1200998196 /nfs/dbraw/zinc/99/81/96/1200998196.db2.gz VOLMDLZDRVGGQI-GFCCVEGCSA-N 1 0 378.437 1.224 20 5 GCBDRO CC[N@@H+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088405 1201214700 /nfs/dbraw/zinc/21/47/00/1201214700.db2.gz UCOKFZRLCPOQSI-CYBMUJFWSA-N 1 0 384.458 0.768 20 5 GCBDRO CC[N@@H+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088406 1201214891 /nfs/dbraw/zinc/21/48/91/1201214891.db2.gz UCOKFZRLCPOQSI-ZDUSSCGKSA-N 1 0 384.458 0.768 20 5 GCBDRO CCn1cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)c([N+](=O)[O-])n1 ZINC000611108870 1201218278 /nfs/dbraw/zinc/21/82/78/1201218278.db2.gz OMULQYKLBZCQLG-CYBMUJFWSA-N 1 0 388.494 0.363 20 5 GCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000611147068 1201219482 /nfs/dbraw/zinc/21/94/82/1201219482.db2.gz TYRVVQJPDGQXKB-QGZVFWFLSA-N 1 0 391.472 0.843 20 5 GCBDRO CC(C)N1CC[NH+](C2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000611177029 1201222087 /nfs/dbraw/zinc/22/20/87/1201222087.db2.gz ZVAFQAGXJKMWDV-UHFFFAOYSA-N 1 0 391.472 0.774 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000611242486 1201226137 /nfs/dbraw/zinc/22/61/37/1201226137.db2.gz GLJLNDZYBGJWCW-AWEZNQCLSA-N 1 0 397.457 0.161 20 5 GCBDRO CC(C)(CO)[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611516140 1201243057 /nfs/dbraw/zinc/24/30/57/1201243057.db2.gz VSFHFFHFXHFCLV-UHFFFAOYSA-N 1 0 378.429 0.630 20 5 GCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000732149053 1201525591 /nfs/dbraw/zinc/52/55/91/1201525591.db2.gz BXFGSTIIBJGDME-HNNXBMFYSA-N 1 0 377.445 0.407 20 5 GCBDRO COCCCn1nccc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000282634602 1201616414 /nfs/dbraw/zinc/61/64/14/1201616414.db2.gz KPWQTZHCKYBEDO-UHFFFAOYSA-N 1 0 397.457 0.896 20 5 GCBDRO Cc1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000743617705 1201821266 /nfs/dbraw/zinc/82/12/66/1201821266.db2.gz CIQTWRUWUDXBAI-UHFFFAOYSA-N 1 0 389.416 0.612 20 5 GCBDRO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169028470 1201930359 /nfs/dbraw/zinc/93/03/59/1201930359.db2.gz SDYSQFIMCVOEKX-HOCLYGCPSA-N 1 0 376.457 0.783 20 5 GCBDRO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)S(C)(=O)=O)cn1 ZINC001169019236 1201931021 /nfs/dbraw/zinc/93/10/21/1201931021.db2.gz GVCPTBNNPYZAEO-DMRZNYOFSA-N 1 0 385.490 0.400 20 5 GCBDRO 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 ZINC001169018649 1201931048 /nfs/dbraw/zinc/93/10/48/1201931048.db2.gz BKUPRYISYJUTLX-IQWQSGHPSA-N 1 0 389.456 0.989 20 5 GCBDRO CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169017502 1201931213 /nfs/dbraw/zinc/93/12/13/1201931213.db2.gz AAMLRYOHRFKIEE-ARFHVFGLSA-N 1 0 379.461 0.865 20 5 GCBDRO O=C(NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2)C1CC1 ZINC001169023006 1201931557 /nfs/dbraw/zinc/93/15/57/1201931557.db2.gz OCHJCPZMGFEANX-CJNGLKHVSA-N 1 0 389.456 0.921 20 5 GCBDRO O=C(CN1CC[NH+](CCCCO)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000746487485 1201987083 /nfs/dbraw/zinc/98/70/83/1201987083.db2.gz FAFOBLVSWZYSRH-UHFFFAOYSA-N 1 0 380.401 0.652 20 5 GCBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C2)CNC(=O)CN3C(C)=O)c([N+](=O)[O-])c1 ZINC001170341425 1205491159 /nfs/dbraw/zinc/49/11/59/1205491159.db2.gz ISBZLHCVCPOKSL-ORAYPTAESA-N 1 0 390.440 0.957 20 5 GCBDRO C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000747411677 1205586844 /nfs/dbraw/zinc/58/68/44/1205586844.db2.gz IKYRIRGAZBXNGD-UHFFFAOYSA-N 1 0 378.429 0.618 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170572667 1205619631 /nfs/dbraw/zinc/61/96/31/1205619631.db2.gz HPRVRUJCBWRXMQ-YGRLFVJLSA-N 1 0 381.385 0.813 20 5 GCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001133923519 1205680439 /nfs/dbraw/zinc/68/04/39/1205680439.db2.gz OWHSSCOLDDRQLF-GDBMZVCRSA-N 1 0 396.469 0.958 20 5 GCBDRO CC(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001171884272 1205710238 /nfs/dbraw/zinc/71/02/38/1205710238.db2.gz YQVPOTMECPWNSM-CQSZACIVSA-N 1 0 384.458 0.672 20 5 GCBDRO O=C1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC001173691099 1205726359 /nfs/dbraw/zinc/72/63/59/1205726359.db2.gz IEYRCNKLAUSUEQ-CYBMUJFWSA-N 1 0 382.442 0.616 20 5 GCBDRO CN1C(=O)CC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693218 1205726478 /nfs/dbraw/zinc/72/64/78/1205726478.db2.gz GQLQZUTUNAFAMK-AWEZNQCLSA-N 1 0 396.469 0.958 20 5 GCBDRO CC(=O)N(C)C1CN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173696528 1205726657 /nfs/dbraw/zinc/72/66/57/1205726657.db2.gz BNHJULVLKAVLKE-UHFFFAOYSA-N 1 0 396.469 0.910 20 5 GCBDRO O=C1CN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCCN1 ZINC001173697980 1205726757 /nfs/dbraw/zinc/72/67/57/1205726757.db2.gz YOEAHUOLRAHRGT-UHFFFAOYSA-N 1 0 382.442 0.570 20 5 GCBDRO O=C(NCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052605 1205817320 /nfs/dbraw/zinc/81/73/20/1205817320.db2.gz BWVQQOZAYHDSCW-JKSUJKDBSA-N 1 0 391.428 0.774 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001181440782 1205844784 /nfs/dbraw/zinc/84/47/84/1205844784.db2.gz DOLGJQHYDCXYHC-IMJJTQAJSA-N 1 0 375.429 0.850 20 5 GCBDRO COc1nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001164729464 720514617 /nfs/dbraw/zinc/51/46/17/720514617.db2.gz OBQMHCBCWJOFRA-LLVKDONJSA-N 1 0 377.405 0.797 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164864627 720891015 /nfs/dbraw/zinc/89/10/15/720891015.db2.gz WEFKGXMJQRBZOM-BBRMVZONSA-N 1 0 394.428 0.950 20 5 GCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164751443 720945411 /nfs/dbraw/zinc/94/54/11/720945411.db2.gz RZYWTUUKRAQABD-UHFFFAOYSA-N 1 0 395.807 0.880 20 5 GCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164750166 720957304 /nfs/dbraw/zinc/95/73/04/720957304.db2.gz KIPQORFTCLHHOA-UHFFFAOYSA-N 1 0 375.389 0.414 20 5 GCBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892836 721382359 /nfs/dbraw/zinc/38/23/59/721382359.db2.gz TVFPNKRSNMOVOP-MJGOQNOKSA-N 1 0 391.472 0.994 20 5 GCBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934295 947374297 /nfs/dbraw/zinc/37/42/97/947374297.db2.gz LYBUXLKROZLICK-CYBMUJFWSA-N 1 0 387.404 0.678 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000577860420 530121970 /nfs/dbraw/zinc/12/19/70/530121970.db2.gz CGEMFPHNQJOMQQ-GFCCVEGCSA-N 1 0 376.456 0.783 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000599101055 530158991 /nfs/dbraw/zinc/15/89/91/530158991.db2.gz MCIHUALJRYTAQI-DTWKUNHWSA-N 1 0 385.368 0.959 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000599101057 530159362 /nfs/dbraw/zinc/15/93/62/530159362.db2.gz MCIHUALJRYTAQI-IUCAKERBSA-N 1 0 385.368 0.959 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CC[S@@](=O)C2)c([N+](=O)[O-])c1 ZINC000433438849 530212714 /nfs/dbraw/zinc/21/27/14/530212714.db2.gz FBSLCGVUETYDDV-YDGUKXNOSA-N 1 0 390.487 0.368 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262342403 530220996 /nfs/dbraw/zinc/22/09/96/530220996.db2.gz SXHFSVVEDGTIMQ-LBPRGKRZSA-N 1 0 382.364 0.709 20 5 GCBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)cs1 ZINC000363182241 530271616 /nfs/dbraw/zinc/27/16/16/530271616.db2.gz SNQLPTMGCFCOON-UHFFFAOYSA-N 1 0 390.487 0.787 20 5 GCBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514598736 530272191 /nfs/dbraw/zinc/27/21/91/530272191.db2.gz JRCRTEVUJWFCHV-GFCCVEGCSA-N 1 0 391.471 0.382 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261600174 530255860 /nfs/dbraw/zinc/25/58/60/530255860.db2.gz AZGVNJDBFVZROW-JTQLQIEISA-N 1 0 390.849 0.724 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570718712 530323775 /nfs/dbraw/zinc/32/37/75/530323775.db2.gz AAWLQYMNJNUBIV-NSHDSACASA-N 1 0 393.263 0.539 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000583262612 530352633 /nfs/dbraw/zinc/35/26/33/530352633.db2.gz ASXWIZBKVJSHIN-SNVBAGLBSA-N 1 0 393.263 0.539 20 5 GCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC(=O)N1CC[NH2+]CC1 ZINC000566099311 530369963 /nfs/dbraw/zinc/36/99/63/530369963.db2.gz OTCCENZVEBIUTB-UHFFFAOYSA-N 1 0 385.218 0.448 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261682178 530518685 /nfs/dbraw/zinc/51/86/85/530518685.db2.gz MUCWJSQBSBCNPS-JTQLQIEISA-N 1 0 390.849 0.724 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000522000909 530851372 /nfs/dbraw/zinc/85/13/72/530851372.db2.gz YZBFIJJQQRNFLK-SNVBAGLBSA-N 1 0 382.364 0.796 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000420482819 530870457 /nfs/dbraw/zinc/87/04/57/530870457.db2.gz VFLLDYNTGTZYIN-VIFPVBQESA-N 1 0 380.220 0.624 20 5 GCBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000420484220 530870540 /nfs/dbraw/zinc/87/05/40/530870540.db2.gz XOPCIZGVBAJLKU-VIFPVBQESA-N 1 0 394.247 0.932 20 5 GCBDRO CCn1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000533174090 530900198 /nfs/dbraw/zinc/90/01/98/530900198.db2.gz IRFMJNZSUFOGIU-GFCCVEGCSA-N 1 0 375.451 0.326 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000576108964 530979823 /nfs/dbraw/zinc/97/98/23/530979823.db2.gz HDZWLBFDMAWFKM-LLVKDONJSA-N 1 0 380.373 0.362 20 5 GCBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262828934 531072952 /nfs/dbraw/zinc/07/29/52/531072952.db2.gz UOXRODCMOPDMBA-LLVKDONJSA-N 1 0 388.471 0.084 20 5 GCBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nnc1C1CC[NH2+]CC1 ZINC000737592376 599266926 /nfs/dbraw/zinc/26/69/26/599266926.db2.gz NJUHRNLCHOUIFD-UHFFFAOYSA-N 1 0 388.417 0.917 20 5 GCBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000737594073 599267012 /nfs/dbraw/zinc/26/70/12/599267012.db2.gz VZOSYBPULFBWBK-MRVPVSSYSA-N 1 0 388.417 0.917 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736534179 598755504 /nfs/dbraw/zinc/75/55/04/598755504.db2.gz NZHPLXOXECTXSO-UHFFFAOYSA-N 1 0 389.420 0.160 20 5 GCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821575611 606706934 /nfs/dbraw/zinc/70/69/34/606706934.db2.gz IXDLYVKMPMLNNX-LBPRGKRZSA-N 1 0 389.420 0.525 20 5 GCBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820480300 606707861 /nfs/dbraw/zinc/70/78/61/606707861.db2.gz IQPCDKQLPXIIBC-LLVKDONJSA-N 1 0 376.421 0.699 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821623190 607034755 /nfs/dbraw/zinc/03/47/55/607034755.db2.gz FTTQJUDAHMYWSZ-CQSZACIVSA-N 1 0 386.416 0.518 20 5 GCBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826083771 608020937 /nfs/dbraw/zinc/02/09/37/608020937.db2.gz QFPLPPBWDORZDG-UHFFFAOYSA-N 1 0 377.390 0.964 20 5 GCBDRO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824999954 608151153 /nfs/dbraw/zinc/15/11/53/608151153.db2.gz LFOQHXURBSNTPF-TZMCWYRMSA-N 1 0 387.448 0.632 20 5 GCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825866330 608331909 /nfs/dbraw/zinc/33/19/09/608331909.db2.gz WAPUFBJPOAKWFP-UHFFFAOYSA-N 1 0 399.415 0.712 20 5 GCBDRO C[NH+](C)CCCNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000921142913 639932933 /nfs/dbraw/zinc/93/29/33/639932933.db2.gz JTKUVACILNPJJG-UHFFFAOYSA-N 1 0 389.503 0.289 20 5 GCBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1I ZINC000701035252 640123320 /nfs/dbraw/zinc/12/33/20/640123320.db2.gz VPPHLNIHSNTTAW-QMMMGPOBSA-N 1 0 391.165 0.918 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768839104 640762159 /nfs/dbraw/zinc/76/21/59/640762159.db2.gz NNYHWUAXWKBABB-SNVBAGLBSA-N 1 0 376.460 0.522 20 5 GCBDRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783620476 641272176 /nfs/dbraw/zinc/27/21/76/641272176.db2.gz LHTMAVLTHCOOAM-UHFFFAOYSA-N 1 0 376.866 0.915 20 5 GCBDRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815036159 641817872 /nfs/dbraw/zinc/81/78/72/641817872.db2.gz RUNJBJXYOZKJMX-UHFFFAOYSA-N 1 0 380.829 0.913 20 5 GCBDRO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000053837175 1192260871 /nfs/dbraw/zinc/26/08/71/1192260871.db2.gz UCPAULAAGWFCEF-UHFFFAOYSA-N 1 0 396.448 0.850 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424026339 1192265284 /nfs/dbraw/zinc/26/52/84/1192265284.db2.gz KHROOMXSXPWWHU-MRXNPFEDSA-N 1 0 382.442 0.618 20 5 GCBDRO CC[NH2+][C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418598433 1192352776 /nfs/dbraw/zinc/35/27/76/1192352776.db2.gz GGPZLYLTHKAURC-CYBMUJFWSA-N 1 0 399.473 0.609 20 5 GCBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512133068 1192466754 /nfs/dbraw/zinc/46/67/54/1192466754.db2.gz XPEFYLVCKGJUQJ-NWDGAFQWSA-N 1 0 399.473 0.595 20 5 GCBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000279145342 1192473469 /nfs/dbraw/zinc/47/34/69/1192473469.db2.gz YALPPJACZNDMAB-QGZVFWFLSA-N 1 0 375.385 0.906 20 5 GCBDRO CN1CCN([C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2cccs2)CC1 ZINC000572323912 1192567414 /nfs/dbraw/zinc/56/74/14/1192567414.db2.gz XHLQSGCCZFSBJZ-HZPDHXFCSA-N 1 0 394.501 0.792 20 5 GCBDRO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCC[NH2+]CC1 ZINC000262465175 1192637027 /nfs/dbraw/zinc/63/70/27/1192637027.db2.gz CRFJUZBPNROZSP-CQSZACIVSA-N 1 0 396.469 0.817 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418773781 1192641618 /nfs/dbraw/zinc/64/16/18/1192641618.db2.gz URERXUOZLMCMDZ-ZDUSSCGKSA-N 1 0 377.401 0.051 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512389589 1192643075 /nfs/dbraw/zinc/64/30/75/1192643075.db2.gz OGCPKQHTLMVWRI-ZIAGYGMSSA-N 1 0 382.465 0.790 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418783223 1192644756 /nfs/dbraw/zinc/64/47/56/1192644756.db2.gz OJYSQVQYXKOGGB-TZMCWYRMSA-N 1 0 391.428 0.086 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000418933662 1192694140 /nfs/dbraw/zinc/69/41/40/1192694140.db2.gz ISVCPGNBIYHDHK-CMPLNLGQSA-N 1 0 380.401 0.449 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000419015837 1192720356 /nfs/dbraw/zinc/72/03/56/1192720356.db2.gz FCRAZAIIMIXGGN-OCCSQVGLSA-N 1 0 392.412 0.091 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000419015758 1192720370 /nfs/dbraw/zinc/72/03/70/1192720370.db2.gz DYRLYRGKGVOVGT-GFCCVEGCSA-N 1 0 380.401 0.139 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000419017141 1192722994 /nfs/dbraw/zinc/72/29/94/1192722994.db2.gz GQKUGPQZNNMPLQ-ZDUSSCGKSA-N 1 0 394.428 0.481 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000419022744 1192724879 /nfs/dbraw/zinc/72/48/79/1192724879.db2.gz LQIXWUGBJKMJMY-NWDGAFQWSA-N 1 0 394.428 0.480 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000419026455 1192727544 /nfs/dbraw/zinc/72/75/44/1192727544.db2.gz OUGOSJHEWQQYBJ-OLZOCXBDSA-N 1 0 394.428 0.657 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262590595 1192747452 /nfs/dbraw/zinc/74/74/52/1192747452.db2.gz SLLMPMVPQLXIBC-CABCVRRESA-N 1 0 382.442 0.601 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262591209 1192751145 /nfs/dbraw/zinc/75/11/45/1192751145.db2.gz SUHRPRMZNSPCBE-NSHDSACASA-N 1 0 385.446 0.255 20 5 GCBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000274541005 1184092283 /nfs/dbraw/zinc/09/22/83/1184092283.db2.gz FBMRQXUIEJZOOV-UHFFFAOYSA-N 1 0 399.473 0.597 20 5 GCBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274760441 1184278839 /nfs/dbraw/zinc/27/88/39/1184278839.db2.gz HYXCKODRQQRQGN-LSDHHAIUSA-N 1 0 396.469 0.632 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000430225274 1184303522 /nfs/dbraw/zinc/30/35/22/1184303522.db2.gz JMLHHAFTLUHFQA-HNNXBMFYSA-N 1 0 392.456 0.968 20 5 GCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000578191914 1184356279 /nfs/dbraw/zinc/35/62/79/1184356279.db2.gz QMYVCAJUSOSACO-DLBZAZTESA-N 1 0 387.440 0.884 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000274814108 1184391040 /nfs/dbraw/zinc/39/10/40/1184391040.db2.gz RGLFHLDBYAJARL-GOEBONIOSA-N 1 0 376.413 0.694 20 5 GCBDRO NC(=O)NC(=O)CCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274830760 1184396617 /nfs/dbraw/zinc/39/66/17/1184396617.db2.gz MFGROGMTIMLDQB-UHFFFAOYSA-N 1 0 389.416 0.958 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@H]2CNc3ccnn3C2)c1 ZINC000609406836 1184452137 /nfs/dbraw/zinc/45/21/37/1184452137.db2.gz WIFCBJGUXMPKPN-LBPRGKRZSA-N 1 0 380.430 0.401 20 5 GCBDRO NC(=O)[C@H]1CCCN1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000359961398 1184504596 /nfs/dbraw/zinc/50/45/96/1184504596.db2.gz SCCNAMVQPUJBJB-MRXNPFEDSA-N 1 0 396.469 0.839 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000579912854 1184720972 /nfs/dbraw/zinc/72/09/72/1184720972.db2.gz DUJIEFFTCSEOQL-QZTJIDSGSA-N 1 0 375.429 0.815 20 5 GCBDRO Cc1ccc([C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)N2CCOCC2)o1 ZINC000610335638 1184972587 /nfs/dbraw/zinc/97/25/87/1184972587.db2.gz GUPRECAYIDVCIP-HZPDHXFCSA-N 1 0 379.417 0.717 20 5 GCBDRO CN(CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccccc1[N+](=O)[O-] ZINC001648908304 1184974285 /nfs/dbraw/zinc/97/42/85/1184974285.db2.gz BXQCFMJXGRKXCB-KBXCAEBGSA-N 1 0 378.429 0.373 20 5 GCBDRO [NH3+]Cc1cn([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C2)nn1 ZINC000580073065 1185046941 /nfs/dbraw/zinc/04/69/41/1185046941.db2.gz XXKWSAXBFKONRN-GFCCVEGCSA-N 1 0 388.384 0.894 20 5 GCBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261626606 1185216092 /nfs/dbraw/zinc/21/60/92/1185216092.db2.gz AMMQXOXAVBKTTK-CJNGLKHVSA-N 1 0 396.469 0.958 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000261654463 1185224382 /nfs/dbraw/zinc/22/43/82/1185224382.db2.gz FSCPWSCKYPEEKR-ZDUSSCGKSA-N 1 0 382.442 0.399 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261789688 1185258112 /nfs/dbraw/zinc/25/81/12/1185258112.db2.gz IABCDZNVUAMSGZ-UONOGXRCSA-N 1 0 378.433 0.207 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261862141 1185278507 /nfs/dbraw/zinc/27/85/07/1185278507.db2.gz RLTKCRUSBNODKG-VXGBXAGGSA-N 1 0 399.473 0.630 20 5 GCBDRO [NH3+][C@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000261949196 1185290244 /nfs/dbraw/zinc/29/02/44/1185290244.db2.gz PISYXKOQRSMPDQ-HUUCEWRRSA-N 1 0 382.442 0.601 20 5 GCBDRO [NH3+][C@@H]1C[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658583 1185298474 /nfs/dbraw/zinc/29/84/74/1185298474.db2.gz HVEDVTDBVPPMQO-LSDHHAIUSA-N 1 0 375.429 0.175 20 5 GCBDRO [NH3+][C@H]1C[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658581 1185298710 /nfs/dbraw/zinc/29/87/10/1185298710.db2.gz HVEDVTDBVPPMQO-GJZGRUSLSA-N 1 0 375.429 0.175 20 5 GCBDRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000261990933 1185299189 /nfs/dbraw/zinc/29/91/89/1185299189.db2.gz DXDFQYUYQIJLPC-CYBMUJFWSA-N 1 0 382.442 0.118 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000580706022 1185310454 /nfs/dbraw/zinc/31/04/54/1185310454.db2.gz PPSYKBWEKJFWRX-VBNZEHGJSA-N 1 0 376.413 0.676 20 5 GCBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580711000 1185311365 /nfs/dbraw/zinc/31/13/65/1185311365.db2.gz AEXQDQUPCFYDDH-GFCCVEGCSA-N 1 0 382.442 0.568 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N(CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000579817328 1185319542 /nfs/dbraw/zinc/31/95/42/1185319542.db2.gz WLDBEWRPMXVSBL-UHFFFAOYSA-N 1 0 386.474 0.643 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N(CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000275978124 1185352701 /nfs/dbraw/zinc/35/27/01/1185352701.db2.gz IFOBHMCSMKPNJN-UHFFFAOYSA-N 1 0 386.474 0.786 20 5 GCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262132940 1185381868 /nfs/dbraw/zinc/38/18/68/1185381868.db2.gz XATFHEZMBMYXBF-INIZCTEOSA-N 1 0 375.429 0.221 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581184824 1185526049 /nfs/dbraw/zinc/52/60/49/1185526049.db2.gz XTPGKHWVSQOJGX-HNNXBMFYSA-N 1 0 390.444 0.191 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000610209716 1185554545 /nfs/dbraw/zinc/55/45/45/1185554545.db2.gz XYFHJBQWRADENG-CHWSQXEVSA-N 1 0 384.458 0.814 20 5 GCBDRO C[C@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])[C@H]1CO ZINC000276086517 1185559311 /nfs/dbraw/zinc/55/93/11/1185559311.db2.gz VKSYHYBFILLECI-LRDDRELGSA-N 1 0 386.474 0.642 20 5 GCBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000581313142 1185585654 /nfs/dbraw/zinc/58/56/54/1185585654.db2.gz UGWYXDVCMPVPNP-AWEZNQCLSA-N 1 0 378.433 0.338 20 5 GCBDRO COc1ccc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430599695 1185678909 /nfs/dbraw/zinc/67/89/09/1185678909.db2.gz GIPUCHYPCIASOS-LBPRGKRZSA-N 1 0 379.417 0.329 20 5 GCBDRO COC(=O)c1cc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000262290635 1185730397 /nfs/dbraw/zinc/73/03/97/1185730397.db2.gz YKUORLQRJZZVOO-UHFFFAOYSA-N 1 0 385.398 0.487 20 5 GCBDRO CN(C(=O)CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607401 1185732035 /nfs/dbraw/zinc/73/20/35/1185732035.db2.gz YMXIGAWTXNPWMW-HNNXBMFYSA-N 1 0 389.456 0.701 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(NCC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000477130007 1185796008 /nfs/dbraw/zinc/79/60/08/1185796008.db2.gz WFQLCXBUKVASRA-UHFFFAOYSA-N 1 0 386.474 0.961 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625675 1185809373 /nfs/dbraw/zinc/80/93/73/1185809373.db2.gz KWIIJRAGLCOPIF-HNNXBMFYSA-N 1 0 389.456 0.986 20 5 GCBDRO C[C@H](CC[NH3+])NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000477340487 1185841144 /nfs/dbraw/zinc/84/11/44/1185841144.db2.gz UFMSYHFGUVYUOD-OLZOCXBDSA-N 1 0 384.458 0.849 20 5 GCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640427 1185843408 /nfs/dbraw/zinc/84/34/08/1185843408.db2.gz KDLROHFBJXUXHC-HNNXBMFYSA-N 1 0 389.456 0.986 20 5 GCBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000276567870 1185904663 /nfs/dbraw/zinc/90/46/63/1185904663.db2.gz AGMWNWGUIOYTPV-CQSZACIVSA-N 1 0 390.418 0.711 20 5 GCBDRO COC1CC[NH+](CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000610573003 1186016075 /nfs/dbraw/zinc/01/60/75/1186016075.db2.gz IEIAUYGOCWGSHA-UHFFFAOYSA-N 1 0 392.412 0.547 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276773177 1186041132 /nfs/dbraw/zinc/04/11/32/1186041132.db2.gz YPKNKADCBCZFPC-KGLIPLIRSA-N 1 0 378.429 0.547 20 5 GCBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000431006773 1186101850 /nfs/dbraw/zinc/10/18/50/1186101850.db2.gz SQCIBTHDSYSDAY-UHFFFAOYSA-N 1 0 393.492 0.841 20 5 GCBDRO C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000247474206 1186123040 /nfs/dbraw/zinc/12/30/40/1186123040.db2.gz JNBFZWKBOYWNMU-IIDMSEBBSA-N 1 0 381.477 0.973 20 5 GCBDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276902498 1186141413 /nfs/dbraw/zinc/14/14/13/1186141413.db2.gz HXVMVNMOLSYLOU-PVUWLOKVSA-N 1 0 395.366 0.992 20 5 GCBDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000276902493 1186141892 /nfs/dbraw/zinc/14/18/92/1186141892.db2.gz HXVMVNMOLSYLOU-NUTKFTJISA-N 1 0 395.366 0.992 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610784582 1186185330 /nfs/dbraw/zinc/18/53/30/1186185330.db2.gz BMXNFULPJTYOAY-WBVHZDCISA-N 1 0 398.485 0.881 20 5 GCBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176267303 1186259968 /nfs/dbraw/zinc/25/99/68/1186259968.db2.gz WUEYQEYHVGFGIL-UHFFFAOYSA-N 1 0 392.420 0.992 20 5 GCBDRO CCOC(=O)c1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000262494204 1186302528 /nfs/dbraw/zinc/30/25/28/1186302528.db2.gz VXBRBUVIQAWDPD-TXEJJXNPSA-N 1 0 383.426 0.920 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262532082 1186304559 /nfs/dbraw/zinc/30/45/59/1186304559.db2.gz PGSTWPJCBVIGQF-ZDUSSCGKSA-N 1 0 398.441 0.188 20 5 GCBDRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@H]1C ZINC000563153140 1186312509 /nfs/dbraw/zinc/31/25/09/1186312509.db2.gz IWOQRQACBYMLDA-KGLIPLIRSA-N 1 0 390.440 0.393 20 5 GCBDRO C[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000511051963 1186363622 /nfs/dbraw/zinc/36/36/22/1186363622.db2.gz ZCLUBWNVSBGMDE-AWEZNQCLSA-N 1 0 392.460 0.146 20 5 GCBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551497950 1186422672 /nfs/dbraw/zinc/42/26/72/1186422672.db2.gz IOSNWLQKUSIZAE-GJZGRUSLSA-N 1 0 390.444 0.698 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000582138113 1186436287 /nfs/dbraw/zinc/43/62/87/1186436287.db2.gz ZGKHOBXJAYEORW-CXAGYDPISA-N 1 0 380.449 0.400 20 5 GCBDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)CCO1 ZINC000582481249 1186547441 /nfs/dbraw/zinc/54/74/41/1186547441.db2.gz LDPAYQNRWPWVKM-CJNGLKHVSA-N 1 0 376.417 0.562 20 5 GCBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000127879270 1186567310 /nfs/dbraw/zinc/56/73/10/1186567310.db2.gz OGYNPZASLPRRKM-IYBDPMFKSA-N 1 0 391.472 0.774 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582963496 1186738131 /nfs/dbraw/zinc/73/81/31/1186738131.db2.gz SYRARIAXZNHZBM-OLZOCXBDSA-N 1 0 382.442 0.331 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2[N+](=O)[O-])CC1 ZINC000583262560 1186811505 /nfs/dbraw/zinc/81/15/05/1186811505.db2.gz LIJFMHKRKMYLPP-CYBMUJFWSA-N 1 0 399.398 0.976 20 5 GCBDRO CC(=O)N1CCN(C(=O)CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000583559688 1186886284 /nfs/dbraw/zinc/88/62/84/1186886284.db2.gz HLZKDOGKCRWFJD-UHFFFAOYSA-N 1 0 391.428 0.594 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000583702757 1186921816 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/nfs/dbraw/zinc/48/69/53/1187486953.db2.gz QHFHMZUJAPRPQG-OLZOCXBDSA-N 1 0 378.433 0.541 20 5 GCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000065974608 1187517325 /nfs/dbraw/zinc/51/73/25/1187517325.db2.gz SLGAPCWJHUSODZ-UHFFFAOYSA-N 1 0 398.485 0.982 20 5 GCBDRO COc1cc(OCC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC000262848421 1187517569 /nfs/dbraw/zinc/51/75/69/1187517569.db2.gz ZDFXLRGRAQRXMZ-CYBMUJFWSA-N 1 0 394.428 0.828 20 5 GCBDRO COC(=O)[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)C1 ZINC000411922818 1187532345 /nfs/dbraw/zinc/53/23/45/1187532345.db2.gz VCZKWFNEKMNLPY-CYBMUJFWSA-N 1 0 392.412 0.929 20 5 GCBDRO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000376109194 1187608923 /nfs/dbraw/zinc/60/89/23/1187608923.db2.gz DRICVFSYARUQFI-INIZCTEOSA-N 1 0 392.456 0.805 20 5 GCBDRO C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000066360813 1187673552 /nfs/dbraw/zinc/67/35/52/1187673552.db2.gz YWHZGYATZTZYSW-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO CC[N@H+](C)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000066373511 1187673843 /nfs/dbraw/zinc/67/38/43/1187673843.db2.gz HDTZLZHGYUQZMD-UHFFFAOYSA-N 1 0 385.490 0.895 20 5 GCBDRO CCc1cc(N2CCC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)ncn1 ZINC000580185665 1187675479 /nfs/dbraw/zinc/67/54/79/1187675479.db2.gz QXCHSKAHZJEOBZ-HOCLYGCPSA-N 1 0 375.433 0.763 20 5 GCBDRO Cc1ccc(NCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000581619482 1187717291 /nfs/dbraw/zinc/71/72/91/1187717291.db2.gz YCXOAHYXCQSKOJ-UONOGXRCSA-N 1 0 390.444 0.659 20 5 GCBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174769685 1187763813 /nfs/dbraw/zinc/76/38/13/1187763813.db2.gz LUXMYMRFIPXXAW-AWEZNQCLSA-N 1 0 377.445 0.923 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472599305 1187858495 /nfs/dbraw/zinc/85/84/95/1187858495.db2.gz NJICQTKKAIQCST-CYBMUJFWSA-N 1 0 381.364 0.128 20 5 GCBDRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000472603727 1187874451 /nfs/dbraw/zinc/87/44/51/1187874451.db2.gz XWIUVTJDWMPLDJ-GFCCVEGCSA-N 1 0 381.408 0.672 20 5 GCBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000178953229 1187970996 /nfs/dbraw/zinc/97/09/96/1187970996.db2.gz WINHZGJQBUAKEA-OAHLLOKOSA-N 1 0 384.502 0.940 20 5 GCBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000415367142 1188061814 /nfs/dbraw/zinc/06/18/14/1188061814.db2.gz GXYMYCUPULOWGB-GFCCVEGCSA-N 1 0 377.401 0.155 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000415371371 1188064083 /nfs/dbraw/zinc/06/40/83/1188064083.db2.gz GBEOGYROZYFFED-LBPRGKRZSA-N 1 0 378.385 0.839 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415567661 1188107773 /nfs/dbraw/zinc/10/77/73/1188107773.db2.gz NRTPMOSNWCLFHR-VHSXEESVSA-N 1 0 378.385 0.837 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415582520 1188113033 /nfs/dbraw/zinc/11/30/33/1188113033.db2.gz UNDVKPASRJWJDS-GHMZBOCLSA-N 1 0 378.385 0.824 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c(C)c([N+](=O)[O-])c1 ZINC000415625129 1188130098 /nfs/dbraw/zinc/13/00/98/1188130098.db2.gz OPBNAXRZRPNPPH-GFCCVEGCSA-N 1 0 378.385 0.887 20 5 GCBDRO CN(CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000377785181 1188135747 /nfs/dbraw/zinc/13/57/47/1188135747.db2.gz SLIGQLZPAGIAPC-OAHLLOKOSA-N 1 0 396.469 0.912 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000415696738 1188142737 /nfs/dbraw/zinc/14/27/37/1188142737.db2.gz VCKYLMGXZRFPBZ-QGZVFWFLSA-N 1 0 378.385 0.892 20 5 GCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415715713 1188147929 /nfs/dbraw/zinc/14/79/29/1188147929.db2.gz VOCNJKQQQMNTBI-GFCCVEGCSA-N 1 0 381.820 0.693 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415722650 1188149622 /nfs/dbraw/zinc/14/96/22/1188149622.db2.gz HYCASTTYWVFRGM-CYBMUJFWSA-N 1 0 377.401 0.048 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415727637 1188152324 /nfs/dbraw/zinc/15/23/24/1188152324.db2.gz QBUVVPBGWRFGEM-AWEZNQCLSA-N 1 0 391.428 0.438 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415751136 1188155553 /nfs/dbraw/zinc/15/55/53/1188155553.db2.gz VTOHIKCTVBGLMT-RYUDHWBXSA-N 1 0 390.396 0.763 20 5 GCBDRO CNc1nccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539397 1188159086 /nfs/dbraw/zinc/15/90/86/1188159086.db2.gz QVJNPQZSBYJFOZ-CABCVRRESA-N 1 0 385.424 1.397 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000415842834 1189381359 /nfs/dbraw/zinc/38/13/59/1189381359.db2.gz AJYMESYEFKBNBN-JTQLQIEISA-N 1 0 388.327 0.711 20 5 GCBDRO O=C(CN1CCN(C(=O)C[NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000103151317 1189412367 /nfs/dbraw/zinc/41/23/67/1189412367.db2.gz PYZMTRIYGXEECO-UHFFFAOYSA-N 1 0 375.429 0.773 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N(C)CCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000290620908 1189424500 /nfs/dbraw/zinc/42/45/00/1189424500.db2.gz KYTVXEHVGVYLDS-UHFFFAOYSA-N 1 0 393.488 0.975 20 5 GCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264456956 1189457342 /nfs/dbraw/zinc/45/73/42/1189457342.db2.gz QYACOUJXNYBOOF-CQSZACIVSA-N 1 0 377.445 0.467 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000312349090 1189591938 /nfs/dbraw/zinc/59/19/38/1189591938.db2.gz ATTYMSYUPNYSCO-QZTJIDSGSA-N 1 0 375.429 0.643 20 5 GCBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282055 1189639297 /nfs/dbraw/zinc/63/92/97/1189639297.db2.gz ORNBCWDHFKCXQV-SMDDNHRTSA-N 1 0 385.446 0.170 20 5 GCBDRO [NH3+]CC1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000417282316 1189639400 /nfs/dbraw/zinc/63/94/00/1189639400.db2.gz PPAHXWONLIDFBI-UHFFFAOYSA-N 1 0 385.446 0.253 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000417283670 1189639424 /nfs/dbraw/zinc/63/94/24/1189639424.db2.gz RIXSULYVWAXBAV-STQMWFEESA-N 1 0 399.473 0.499 20 5 GCBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282053 1189639502 /nfs/dbraw/zinc/63/95/02/1189639502.db2.gz ORNBCWDHFKCXQV-FZMZJTMJSA-N 1 0 385.446 0.170 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417285769 1189640102 /nfs/dbraw/zinc/64/01/02/1189640102.db2.gz UWNWSISMCVBVSN-NWDGAFQWSA-N 1 0 385.446 0.442 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417283382 1189640281 /nfs/dbraw/zinc/64/02/81/1189640281.db2.gz RCKCPUZESJQRJG-CYBMUJFWSA-N 1 0 399.473 0.644 20 5 GCBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417287905 1189640695 /nfs/dbraw/zinc/64/06/95/1189640695.db2.gz XLFMLCBUHSPUSJ-LBPRGKRZSA-N 1 0 387.462 0.690 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307420 1189644172 /nfs/dbraw/zinc/64/41/72/1189644172.db2.gz BHUDOIZKIUTFDG-IUODEOHRSA-N 1 0 399.473 0.784 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1=CC[NH2+]CC1 ZINC000417308879 1189645207 /nfs/dbraw/zinc/64/52/07/1189645207.db2.gz FRLPEGZHRVVCKL-UHFFFAOYSA-N 1 0 383.430 0.092 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417319601 1189646578 /nfs/dbraw/zinc/64/65/78/1189646578.db2.gz HZAVPRCREFNMAG-VXGBXAGGSA-N 1 0 385.446 0.313 20 5 GCBDRO C[C@@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417322302 1189646936 /nfs/dbraw/zinc/64/69/36/1189646936.db2.gz MQAZFHXRKIOTMF-LBPRGKRZSA-N 1 0 387.462 0.690 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417319078 1189646995 /nfs/dbraw/zinc/64/69/95/1189646995.db2.gz HCGILRDMMSOJEB-RYUDHWBXSA-N 1 0 385.446 0.442 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417326266 1189647422 /nfs/dbraw/zinc/64/74/22/1189647422.db2.gz ROIOPTZFJOQAFR-NEPJUHHUSA-N 1 0 385.446 0.300 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417331240 1189648776 /nfs/dbraw/zinc/64/87/76/1189648776.db2.gz VUDAKXRRNFCABN-STQMWFEESA-N 1 0 399.473 0.642 20 5 GCBDRO O=C(CC[NH2+]C1CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000566475263 1189657222 /nfs/dbraw/zinc/65/72/22/1189657222.db2.gz YCJJBKQJRXMLOH-UHFFFAOYSA-N 1 0 382.442 0.570 20 5 GCBDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000584834971 1189684575 /nfs/dbraw/zinc/68/45/75/1189684575.db2.gz KXAMHBUKYBHEMH-IYOUNJFTSA-N 1 0 389.412 0.678 20 5 GCBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417675415 1189695207 /nfs/dbraw/zinc/69/52/07/1189695207.db2.gz BXPOEVWOJFYYMG-NWDGAFQWSA-N 1 0 385.446 0.300 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000417678113 1189695797 /nfs/dbraw/zinc/69/57/97/1189695797.db2.gz JCAKPYICJOYZJY-UHFFFAOYSA-N 1 0 383.430 0.092 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417683544 1189696247 /nfs/dbraw/zinc/69/62/47/1189696247.db2.gz UXGIVOQAWCRMRR-INIZCTEOSA-N 1 0 397.457 0.268 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417685559 1189696297 /nfs/dbraw/zinc/69/62/97/1189696297.db2.gz YNFBIIQHBHQBKA-STQMWFEESA-N 1 0 399.473 0.690 20 5 GCBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000566502790 1189699099 /nfs/dbraw/zinc/69/90/99/1189699099.db2.gz ASTWELZULSFUEL-ZDUSSCGKSA-N 1 0 384.458 0.687 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947006 1189774286 /nfs/dbraw/zinc/77/42/86/1189774286.db2.gz HUKNNKCOFNLQPD-LSDHHAIUSA-N 1 0 391.472 0.855 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000418391150 1189775019 /nfs/dbraw/zinc/77/50/19/1189775019.db2.gz BUOSEIUXJYJIBW-CYBMUJFWSA-N 1 0 397.457 0.348 20 5 GCBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418413611 1189781159 /nfs/dbraw/zinc/78/11/59/1189781159.db2.gz SFKJVJYDUMNBIW-OAHLLOKOSA-N 1 0 399.473 0.594 20 5 GCBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418412590 1189781763 /nfs/dbraw/zinc/78/17/63/1189781763.db2.gz RCSFDWCBHCIAQD-CYBMUJFWSA-N 1 0 399.473 0.594 20 5 GCBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584581077 1189797232 /nfs/dbraw/zinc/79/72/32/1189797232.db2.gz MMUVLAGAPHSIJZ-ZDUSSCGKSA-N 1 0 378.433 0.272 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418493431 1189803886 /nfs/dbraw/zinc/80/38/86/1189803886.db2.gz WLJBRDBOUHQGSI-UHFFFAOYSA-N 1 0 397.457 0.139 20 5 GCBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1OC ZINC000573790216 1193742245 /nfs/dbraw/zinc/74/22/45/1193742245.db2.gz KGDUADVVQYHQJV-LLVKDONJSA-N 1 0 382.417 0.798 20 5 GCBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419347845 1193843953 /nfs/dbraw/zinc/84/39/53/1193843953.db2.gz KJWHLMFQIHFYEN-MRXNPFEDSA-N 1 0 378.429 0.528 20 5 GCBDRO COc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000576399393 1193872204 /nfs/dbraw/zinc/87/22/04/1193872204.db2.gz NJZXFEQEBYMBSU-LBPRGKRZSA-N 1 0 385.442 0.979 20 5 GCBDRO CCCc1n[nH]c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000261681329 1193923145 /nfs/dbraw/zinc/92/31/45/1193923145.db2.gz APALBKWEQNZDDU-SNVBAGLBSA-N 1 0 378.355 0.836 20 5 GCBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262008088 1193935457 /nfs/dbraw/zinc/93/54/57/1193935457.db2.gz IPTQIUCOHNYFQP-WFASDCNBSA-N 1 0 382.442 0.616 20 5 GCBDRO CN1CCN(c2cc(N3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)ncn2)CC1=O ZINC000433755115 1193942548 /nfs/dbraw/zinc/94/25/48/1193942548.db2.gz BYKLVMJMJQVPOH-ZDUSSCGKSA-N 1 0 398.427 0.749 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513502454 1193958004 /nfs/dbraw/zinc/95/80/04/1193958004.db2.gz ZVVCLZSRCHARSO-ZDUSSCGKSA-N 1 0 398.485 0.754 20 5 GCBDRO CN(CC(=O)NCC[N@H+]1CC=CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000280355117 1193990150 /nfs/dbraw/zinc/99/01/50/1193990150.db2.gz XONSUXKLCSKSGR-UHFFFAOYSA-N 1 0 382.442 0.593 20 5 GCBDRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000280736064 1194017449 /nfs/dbraw/zinc/01/74/49/1194017449.db2.gz IYEZQTUWGSLKQE-CYBMUJFWSA-N 1 0 384.458 0.721 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000419455660 1194033027 /nfs/dbraw/zinc/03/30/27/1194033027.db2.gz PVYVRRQEMLMAGT-HIFRSBDPSA-N 1 0 377.445 0.936 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000419455283 1194033155 /nfs/dbraw/zinc/03/31/55/1194033155.db2.gz ONSXRSYUQCOMPP-AWEZNQCLSA-N 1 0 393.444 0.398 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419457776 1194033909 /nfs/dbraw/zinc/03/39/09/1194033909.db2.gz AFXRGWMNABRHIR-DZGCQCFKSA-N 1 0 378.433 0.288 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419850867 1194114845 /nfs/dbraw/zinc/11/48/45/1194114845.db2.gz HUROWUMRVGPXTQ-UHFFFAOYSA-N 1 0 389.456 0.497 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419909902 1194142223 /nfs/dbraw/zinc/14/22/23/1194142223.db2.gz ZOBCXPDYFJRFIU-QWHCGFSZSA-N 1 0 376.413 0.689 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419945112 1194146979 /nfs/dbraw/zinc/14/69/79/1194146979.db2.gz JIVQWYLOVOAMQB-CYBMUJFWSA-N 1 0 378.429 0.936 20 5 GCBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419980870 1194151727 /nfs/dbraw/zinc/15/17/27/1194151727.db2.gz RPTPERSFKMZTOG-AWEZNQCLSA-N 1 0 390.444 0.144 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420011130 1194157750 /nfs/dbraw/zinc/15/77/50/1194157750.db2.gz GGMDYDVPOXEHMH-UONOGXRCSA-N 1 0 390.444 0.272 20 5 GCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000420035467 1194161600 /nfs/dbraw/zinc/16/16/00/1194161600.db2.gz IFGRBABRWGBYBO-QGZVFWFLSA-N 1 0 380.401 0.139 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000420142132 1194192933 /nfs/dbraw/zinc/19/29/33/1194192933.db2.gz ZSUQSUJVLDGWMH-ZIAGYGMSSA-N 1 0 375.429 0.500 20 5 GCBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420165486 1194199160 /nfs/dbraw/zinc/19/91/60/1194199160.db2.gz NGGREDDUOVQBOO-AWEZNQCLSA-N 1 0 392.460 0.849 20 5 GCBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420204384 1194204179 /nfs/dbraw/zinc/20/41/79/1194204179.db2.gz HYVWDQDRJCWJDP-HZSPNIEDSA-N 1 0 388.424 0.689 20 5 GCBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420187088 1194206050 /nfs/dbraw/zinc/20/60/50/1194206050.db2.gz DCNRKWABKVDHDZ-KBPBESRZSA-N 1 0 375.429 0.487 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420263431 1194218463 /nfs/dbraw/zinc/21/84/63/1194218463.db2.gz SOSOLHWJIZMPGE-KGLIPLIRSA-N 1 0 396.469 0.661 20 5 GCBDRO CCOC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC000420471455 1194230686 /nfs/dbraw/zinc/23/06/86/1194230686.db2.gz AQHYZTGXBJBJLN-NSHDSACASA-N 1 0 387.414 0.347 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@]2(C)CCC(=O)N2)c([N+](=O)[O-])c1 ZINC000413332273 1194231585 /nfs/dbraw/zinc/23/15/85/1194231585.db2.gz CGKJJAOVXBDOPK-INIZCTEOSA-N 1 0 399.473 0.515 20 5 GCBDRO CC(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000420623302 1194249666 /nfs/dbraw/zinc/24/96/66/1194249666.db2.gz JTNXNLOBMONYBN-ZDUSSCGKSA-N 1 0 399.473 0.150 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421394939 1194334834 /nfs/dbraw/zinc/33/48/34/1194334834.db2.gz HPAKXIZNTVMNHC-LBPRGKRZSA-N 1 0 376.373 0.628 20 5 GCBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823574 1194347336 /nfs/dbraw/zinc/34/73/36/1194347336.db2.gz VSYOINRWITXHEJ-KBPBESRZSA-N 1 0 394.428 0.755 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413893806 1194357043 /nfs/dbraw/zinc/35/70/43/1194357043.db2.gz BMAAAILVPHCTBU-OLZOCXBDSA-N 1 0 396.448 0.390 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413916643 1194360282 /nfs/dbraw/zinc/36/02/82/1194360282.db2.gz JBRFGXUQZLTIPM-GXTWGEPZSA-N 1 0 392.412 0.276 20 5 GCBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000413975858 1194369201 /nfs/dbraw/zinc/36/92/01/1194369201.db2.gz GKIHNLDKDZFYOF-HZPDHXFCSA-N 1 0 388.428 0.840 20 5 GCBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421971329 1194375964 /nfs/dbraw/zinc/37/59/64/1194375964.db2.gz APJSXLUVMIVPIH-IUODEOHRSA-N 1 0 384.458 0.529 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422150832 1194400642 /nfs/dbraw/zinc/40/06/42/1194400642.db2.gz CCVWZDYEUKTFET-CQSZACIVSA-N 1 0 399.473 0.609 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272301981 1194447706 /nfs/dbraw/zinc/44/77/06/1194447706.db2.gz QRRVEEFCHRUWPP-WDEREUQCSA-N 1 0 385.446 0.240 20 5 GCBDRO CC[NH+]1CCC(N2CCCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000422193606 1194454028 /nfs/dbraw/zinc/45/40/28/1194454028.db2.gz SBGDCIKXCXSUCU-UHFFFAOYSA-N 1 0 393.492 0.993 20 5 GCBDRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261859693 1194534796 /nfs/dbraw/zinc/53/47/96/1194534796.db2.gz NAEGIDUCSLPQTH-CZUORRHYSA-N 1 0 396.469 0.864 20 5 GCBDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422205471 1194590697 /nfs/dbraw/zinc/59/06/97/1194590697.db2.gz OUFXONWRCPCHHT-LBPRGKRZSA-N 1 0 387.462 0.465 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000422312980 1194610706 /nfs/dbraw/zinc/61/07/06/1194610706.db2.gz CGRUBJHDCJRFRS-UONOGXRCSA-N 1 0 390.444 0.237 20 5 GCBDRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041718636 1194701328 /nfs/dbraw/zinc/70/13/28/1194701328.db2.gz XDASWIKDHIERKC-UHFFFAOYSA-N 1 0 383.836 0.940 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000422923834 1194708430 /nfs/dbraw/zinc/70/84/30/1194708430.db2.gz SSGVPFRIMHBDPG-UHFFFAOYSA-N 1 0 396.469 0.865 20 5 GCBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422989150 1194713322 /nfs/dbraw/zinc/71/33/22/1194713322.db2.gz KNEZWEHECZDHQE-CQSZACIVSA-N 1 0 375.429 0.454 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994531 1194713567 /nfs/dbraw/zinc/71/35/67/1194713567.db2.gz VNAGXIIOZMUAJD-GJZGRUSLSA-N 1 0 387.440 0.454 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423152263 1194731529 /nfs/dbraw/zinc/73/15/29/1194731529.db2.gz LKQOADCVMMCYFI-KBPBESRZSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423150250 1194731658 /nfs/dbraw/zinc/73/16/58/1194731658.db2.gz IMKBHZOYZBFLFU-GJZGRUSLSA-N 1 0 389.456 0.829 20 5 GCBDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000423157325 1194732460 /nfs/dbraw/zinc/73/24/60/1194732460.db2.gz MOOMVFUSRVDPRT-UHFFFAOYSA-N 1 0 397.457 0.009 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423589668 1194766722 /nfs/dbraw/zinc/76/67/22/1194766722.db2.gz AMGLPPXEVCSNIB-AWEZNQCLSA-N 1 0 375.429 0.454 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423582803 1194770411 /nfs/dbraw/zinc/77/04/11/1194770411.db2.gz BCKXTGYOBOSMGV-UONOGXRCSA-N 1 0 390.444 0.224 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423586574 1194771490 /nfs/dbraw/zinc/77/14/90/1194771490.db2.gz DPRJUPARKAIVEE-CQSZACIVSA-N 1 0 390.444 0.226 20 5 GCBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423593182 1194774539 /nfs/dbraw/zinc/77/45/39/1194774539.db2.gz MLILGEMQCDCDAE-AWEZNQCLSA-N 1 0 392.460 0.470 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H]1C[NH3+] ZINC000423597080 1194775289 /nfs/dbraw/zinc/77/52/89/1194775289.db2.gz SRDMNHKQUNOKNV-KGLIPLIRSA-N 1 0 390.444 0.082 20 5 GCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423629925 1194775489 /nfs/dbraw/zinc/77/54/89/1194775489.db2.gz KTWOQMGCIUKGNC-UONOGXRCSA-N 1 0 375.429 0.452 20 5 GCBDRO CCCN(C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CC[NH2+]C1 ZINC000423647943 1194777619 /nfs/dbraw/zinc/77/76/19/1194777619.db2.gz NKPZXQUCELITDM-AWEZNQCLSA-N 1 0 390.444 0.239 20 5 GCBDRO CCCN(C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CC[NH2+]C1 ZINC000423647952 1194777711 /nfs/dbraw/zinc/77/77/11/1194777711.db2.gz NKPZXQUCELITDM-CQSZACIVSA-N 1 0 390.444 0.239 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@@H](C)C[NH2+]1 ZINC000423624209 1194778152 /nfs/dbraw/zinc/77/81/52/1194778152.db2.gz CSXVHARSENYKFM-KBPBESRZSA-N 1 0 375.429 0.452 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCO1 ZINC000423707009 1194786597 /nfs/dbraw/zinc/78/65/97/1194786597.db2.gz KDMOKKKGDPIDEM-NVXWUHKLSA-N 1 0 390.440 0.877 20 5 GCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423713269 1194787752 /nfs/dbraw/zinc/78/77/52/1194787752.db2.gz FBCCXVAZICNBDR-CQSZACIVSA-N 1 0 378.433 0.555 20 5 GCBDRO C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423988487 1194798459 /nfs/dbraw/zinc/79/84/59/1194798459.db2.gz XSABOBHSMTYTIT-BDJLRTHQSA-N 1 0 399.473 0.488 20 5 GCBDRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000424011954 1194798942 /nfs/dbraw/zinc/79/89/42/1194798942.db2.gz RYCJWFIPNAEWLK-UHFFFAOYSA-N 1 0 388.446 0.421 20 5 GCBDRO C[C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424064794 1194800570 /nfs/dbraw/zinc/80/05/70/1194800570.db2.gz DMLYUTXGXCGQPA-UPJWGTAASA-N 1 0 384.458 0.705 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424222217 1194805785 /nfs/dbraw/zinc/80/57/85/1194805785.db2.gz DEZVOWHTOJGVKT-JKSUJKDBSA-N 1 0 386.412 0.402 20 5 GCBDRO COc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000424240733 1194807003 /nfs/dbraw/zinc/80/70/03/1194807003.db2.gz PJQGUJPNEJHKRR-QWHCGFSZSA-N 1 0 375.385 0.912 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2[NH3+])cn1 ZINC000424446466 1194812078 /nfs/dbraw/zinc/81/20/78/1194812078.db2.gz INTMTBACRLYHJC-WCQYABFASA-N 1 0 392.803 0.874 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)C[C@H]2[NH3+])cn1 ZINC000424553850 1194824441 /nfs/dbraw/zinc/82/44/41/1194824441.db2.gz ZWYGZTIOKKMTLN-DLBZAZTESA-N 1 0 398.423 0.166 20 5 GCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425057023 1194836762 /nfs/dbraw/zinc/83/67/62/1194836762.db2.gz LIBYNQNULZYVGV-XJKSGUPXSA-N 1 0 396.469 0.816 20 5 GCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425061306 1194836929 /nfs/dbraw/zinc/83/69/29/1194836929.db2.gz YQYHAPHSVCDCEP-XJKSGUPXSA-N 1 0 396.469 0.816 20 5 GCBDRO Cc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000425057682 1194836933 /nfs/dbraw/zinc/83/69/33/1194836933.db2.gz MXDJFTHNNUBZHG-XHDPSFHLSA-N 1 0 382.442 0.717 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435001508 1194881619 /nfs/dbraw/zinc/88/16/19/1194881619.db2.gz XNOXRVGXRMJCIC-OAHLLOKOSA-N 1 0 396.444 0.557 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@H](O)C(F)F)c([N+](=O)[O-])c1 ZINC000435586869 1194946298 /nfs/dbraw/zinc/94/62/98/1194946298.db2.gz ZGUKDFXVEMYCFH-ZDUSSCGKSA-N 1 0 396.416 0.863 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435750434 1194960916 /nfs/dbraw/zinc/96/09/16/1194960916.db2.gz BVPSZLHPDOZHJC-CYBMUJFWSA-N 1 0 384.458 0.864 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436063803 1194983557 /nfs/dbraw/zinc/98/35/57/1194983557.db2.gz LPVVSKQEKCVKKG-CQSZACIVSA-N 1 0 393.444 0.861 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517403053 1195177252 /nfs/dbraw/zinc/17/72/52/1195177252.db2.gz PGQPGAVTGFTGPE-GFCCVEGCSA-N 1 0 382.442 0.616 20 5 GCBDRO C[N@@H+]1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000008178086 1195184210 /nfs/dbraw/zinc/18/42/10/1195184210.db2.gz ZUYPNCSOMYPQJD-UHFFFAOYSA-N 1 0 384.458 0.758 20 5 GCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000518137506 1195251861 /nfs/dbraw/zinc/25/18/61/1195251861.db2.gz HFIOSHZQRCITKC-LBPRGKRZSA-N 1 0 399.473 0.502 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1CC[NH2+]CC1 ZINC000519591013 1195497580 /nfs/dbraw/zinc/49/75/80/1195497580.db2.gz VTCIFKSFHCWUGC-UHFFFAOYSA-N 1 0 385.446 0.172 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000427389994 1195534632 /nfs/dbraw/zinc/53/46/32/1195534632.db2.gz HZGZNWIMTVGRBG-ZDUSSCGKSA-N 1 0 396.469 0.647 20 5 GCBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000147487199 1195635350 /nfs/dbraw/zinc/63/53/50/1195635350.db2.gz STGFZXBSGDBALY-UHFFFAOYSA-N 1 0 398.485 0.756 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccnc2)c1 ZINC000574868937 1195835913 /nfs/dbraw/zinc/83/59/13/1195835913.db2.gz FCQVNLLVNIMLIE-CQSZACIVSA-N 1 0 396.425 0.298 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520764759 1195849084 /nfs/dbraw/zinc/84/90/84/1195849084.db2.gz DHKULKUKWSOSIQ-AWEZNQCLSA-N 1 0 387.400 0.245 20 5 GCBDRO C[N@H+]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000427797872 1195881126 /nfs/dbraw/zinc/88/11/26/1195881126.db2.gz LQGOTCLARSCENZ-BETUJISGSA-N 1 0 382.442 0.283 20 5 GCBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000520811499 1195922344 /nfs/dbraw/zinc/92/23/44/1195922344.db2.gz KMRWQTKUZLAENP-MNOVXSKESA-N 1 0 387.414 0.508 20 5 GCBDRO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000520998961 1195951602 /nfs/dbraw/zinc/95/16/02/1195951602.db2.gz MSKCMPRVARTLMJ-UHFFFAOYSA-N 1 0 398.423 0.997 20 5 GCBDRO COc1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000521044243 1195957135 /nfs/dbraw/zinc/95/71/35/1195957135.db2.gz UVMHCTDEEKRQAN-GFCCVEGCSA-N 1 0 385.442 0.979 20 5 GCBDRO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000521230714 1195978818 /nfs/dbraw/zinc/97/88/18/1195978818.db2.gz NLFSGZIGGMPKRY-ZDUSSCGKSA-N 1 0 386.416 0.296 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000521690710 1196011172 /nfs/dbraw/zinc/01/11/72/1196011172.db2.gz UEFJOEFILKYREF-LBPRGKRZSA-N 1 0 386.430 0.222 20 5 GCBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521735690 1196012981 /nfs/dbraw/zinc/01/29/81/1196012981.db2.gz YQUMHBNHHLMXNG-CYBMUJFWSA-N 1 0 399.473 0.514 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000521873746 1196022323 /nfs/dbraw/zinc/02/23/23/1196022323.db2.gz MLTIDILVMDWOON-CQSZACIVSA-N 1 0 384.458 0.254 20 5 GCBDRO C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247523 1196067519 /nfs/dbraw/zinc/06/75/19/1196067519.db2.gz VIBCPUHHZAXNOX-WBMJQRKESA-N 1 0 385.490 0.891 20 5 GCBDRO COCC[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]C1 ZINC000429680407 1196076245 /nfs/dbraw/zinc/07/62/45/1196076245.db2.gz IDSIHGHVVJIFJS-QGZVFWFLSA-N 1 0 396.469 0.957 20 5 GCBDRO CC[N@H+](CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000522412264 1196093601 /nfs/dbraw/zinc/09/36/01/1196093601.db2.gz ZGJVPPPHKLBHPL-UHFFFAOYSA-N 1 0 399.473 0.657 20 5 GCBDRO CNC(=O)CN1CCC([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000474381222 1196112964 /nfs/dbraw/zinc/11/29/64/1196112964.db2.gz VVTUHPLLXHRNGW-UHFFFAOYSA-N 1 0 394.428 0.447 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000280863502 1196115012 /nfs/dbraw/zinc/11/50/12/1196115012.db2.gz DOIATDQUKDSEDH-QWHCGFSZSA-N 1 0 382.442 0.616 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000474784090 1196149564 /nfs/dbraw/zinc/14/95/64/1196149564.db2.gz OCNNGPVHPSJQBQ-ZFWWWQNUSA-N 1 0 395.508 0.969 20 5 GCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896572534 1196168139 /nfs/dbraw/zinc/16/81/39/1196168139.db2.gz QDKPGURVVYPUOL-KBXCAEBGSA-N 1 0 391.472 0.796 20 5 GCBDRO CN(CC(=O)NC1(C[NH+](C)C)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000280999726 1196271489 /nfs/dbraw/zinc/27/14/89/1196271489.db2.gz DDCRQDCFUIHYCL-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000281061116 1196273906 /nfs/dbraw/zinc/27/39/06/1196273906.db2.gz LJPCIWLHSXGMPP-VMPITWQZSA-N 1 0 390.440 0.857 20 5 GCBDRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000281103639 1196277439 /nfs/dbraw/zinc/27/74/39/1196277439.db2.gz WDQJIDGNHSUNIK-UHFFFAOYSA-N 1 0 399.473 0.750 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281498928 1196300639 /nfs/dbraw/zinc/30/06/39/1196300639.db2.gz ONZMMPWNUPPIPT-OLZOCXBDSA-N 1 0 394.428 0.389 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000281616890 1196314087 /nfs/dbraw/zinc/31/40/87/1196314087.db2.gz DAOXRSWNUWDMRE-UHFFFAOYSA-N 1 0 394.428 0.895 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000281639484 1196317387 /nfs/dbraw/zinc/31/73/87/1196317387.db2.gz QOBDTTDKYBXENH-CHWSQXEVSA-N 1 0 394.428 0.247 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281762519 1196329573 /nfs/dbraw/zinc/32/95/73/1196329573.db2.gz LNGFYWHQXSMWNR-CQSZACIVSA-N 1 0 391.472 0.855 20 5 GCBDRO CN(CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523127854 1196491899 /nfs/dbraw/zinc/49/18/99/1196491899.db2.gz JOPCHAWEGLNPGV-LBPRGKRZSA-N 1 0 382.442 0.568 20 5 GCBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000444544630 1196502170 /nfs/dbraw/zinc/50/21/70/1196502170.db2.gz KBXLHUDGNCEYEA-HNNXBMFYSA-N 1 0 390.396 0.697 20 5 GCBDRO NC(=O)[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000523935223 1196568498 /nfs/dbraw/zinc/56/84/98/1196568498.db2.gz RYQWADVAXHEOIW-OAHLLOKOSA-N 1 0 378.410 0.689 20 5 GCBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523986437 1196570274 /nfs/dbraw/zinc/57/02/74/1196570274.db2.gz DHCFYWYDFJWWLQ-LBPRGKRZSA-N 1 0 387.462 0.513 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000524300177 1196586689 /nfs/dbraw/zinc/58/66/89/1196586689.db2.gz FUUPGEFDONGTCH-AWEZNQCLSA-N 1 0 396.469 0.688 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000524300178 1196586858 /nfs/dbraw/zinc/58/68/58/1196586858.db2.gz FUUPGEFDONGTCH-CQSZACIVSA-N 1 0 396.469 0.688 20 5 GCBDRO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929468 1196607819 /nfs/dbraw/zinc/60/78/19/1196607819.db2.gz QYTBRUPVAICFBS-KOLCDFICSA-N 1 0 382.442 0.906 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429720159 1196736250 /nfs/dbraw/zinc/73/62/50/1196736250.db2.gz PKMASETWQXRHCA-HUUCEWRRSA-N 1 0 396.469 0.934 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000527385332 1196782436 /nfs/dbraw/zinc/78/24/36/1196782436.db2.gz HKTRUZATASHLBZ-ZDUSSCGKSA-N 1 0 386.474 0.908 20 5 GCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000449144841 1196857811 /nfs/dbraw/zinc/85/78/11/1196857811.db2.gz UXHJZYNCFBIRKT-FRFSOERESA-N 1 0 383.470 0.613 20 5 GCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000449144842 1196857943 /nfs/dbraw/zinc/85/79/43/1196857943.db2.gz UXHJZYNCFBIRKT-KMFMINBZSA-N 1 0 383.470 0.613 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449715221 1196894783 /nfs/dbraw/zinc/89/47/83/1196894783.db2.gz IMQQMUCXFVWRAP-XJKCOSOUSA-N 1 0 396.469 0.992 20 5 GCBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000585725632 1196895642 /nfs/dbraw/zinc/89/56/42/1196895642.db2.gz ZFPFEXNALANLAU-NEPJUHHUSA-N 1 0 386.412 0.830 20 5 GCBDRO NC(=O)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOc2ccccc21 ZINC000451710718 1197011551 /nfs/dbraw/zinc/01/15/51/1197011551.db2.gz LROKWSWMFNNNPN-ZBFHGGJFSA-N 1 0 389.412 0.853 20 5 GCBDRO CC[NH+]1CCN(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000530811850 1197018262 /nfs/dbraw/zinc/01/82/62/1197018262.db2.gz ZZEJPPVGBWLQGE-UHFFFAOYSA-N 1 0 376.461 0.666 20 5 GCBDRO NC(=O)c1ccc(SCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000452350868 1197053700 /nfs/dbraw/zinc/05/37/00/1197053700.db2.gz OZRFQATVZRUJED-CYBMUJFWSA-N 1 0 396.469 0.749 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452383099 1197055309 /nfs/dbraw/zinc/05/53/09/1197055309.db2.gz OFFMNHPYASVXRM-KGLIPLIRSA-N 1 0 382.465 0.790 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CCC[N@H+]1CCCO ZINC000452365165 1197056084 /nfs/dbraw/zinc/05/60/84/1197056084.db2.gz NLTKKNRPRNZYFS-CQSZACIVSA-N 1 0 379.413 0.872 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452379262 1197058899 /nfs/dbraw/zinc/05/88/99/1197058899.db2.gz ZITZDOJJSXFMIM-CYBMUJFWSA-N 1 0 392.412 0.283 20 5 GCBDRO C[N@@H+]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520058693 1197059319 /nfs/dbraw/zinc/05/93/19/1197059319.db2.gz UALQTJCUGQWFHZ-UHFFFAOYSA-N 1 0 385.446 0.220 20 5 GCBDRO C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000452577005 1197070175 /nfs/dbraw/zinc/07/01/75/1197070175.db2.gz HMQHFSNMKNSCEQ-LLVKDONJSA-N 1 0 382.442 0.799 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000237554132 1197079957 /nfs/dbraw/zinc/07/99/57/1197079957.db2.gz YUPDLOGFXCQANA-ZDUSSCGKSA-N 1 0 375.429 0.697 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452793812 1197081951 /nfs/dbraw/zinc/08/19/51/1197081951.db2.gz HYVIXHRDQOTIPT-DZGCQCFKSA-N 1 0 378.429 0.676 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452793816 1197082074 /nfs/dbraw/zinc/08/20/74/1197082074.db2.gz HYVIXHRDQOTIPT-ZFWWWQNUSA-N 1 0 378.429 0.676 20 5 GCBDRO NC(=O)c1ccc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c([N+](=O)[O-])c1 ZINC000520225477 1197093877 /nfs/dbraw/zinc/09/38/77/1197093877.db2.gz IBGBJXCITMMZPY-SJCJKPOMSA-N 1 0 375.385 0.633 20 5 GCBDRO CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000262941418 1197202104 /nfs/dbraw/zinc/20/21/04/1197202104.db2.gz IVNYSEGLXKGPEC-UHFFFAOYSA-N 1 0 385.490 0.706 20 5 GCBDRO CC1(C)CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614895250 1197484886 /nfs/dbraw/zinc/48/48/86/1197484886.db2.gz NHWVTYLTIYSGDP-UHFFFAOYSA-N 1 0 398.847 0.893 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000614895109 1197485100 /nfs/dbraw/zinc/48/51/00/1197485100.db2.gz OXAPOGQLYKZBBK-ZDUSSCGKSA-N 1 0 378.429 0.628 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000614895090 1197485114 /nfs/dbraw/zinc/48/51/14/1197485114.db2.gz OOMBCNSFKNHJLA-ZDUSSCGKSA-N 1 0 382.465 0.742 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000441976043 1197506150 /nfs/dbraw/zinc/50/61/50/1197506150.db2.gz KPKLGZAMSFJQJU-LBPRGKRZSA-N 1 0 377.401 0.237 20 5 GCBDRO COc1cc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000428596878 1197550383 /nfs/dbraw/zinc/55/03/83/1197550383.db2.gz IJLSBPFCCJYZHV-CQSZACIVSA-N 1 0 376.413 0.887 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000428622318 1197556941 /nfs/dbraw/zinc/55/69/41/1197556941.db2.gz RKBWWTFQANOWCS-ZDUSSCGKSA-N 1 0 376.413 0.887 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H](CO)CC(F)F)c([N+](=O)[O-])c1 ZINC000428694157 1197574073 /nfs/dbraw/zinc/57/40/73/1197574073.db2.gz SGEWIRWDSZHNJF-JTQLQIEISA-N 1 0 396.416 0.863 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000554637742 1199057544 /nfs/dbraw/zinc/05/75/44/1199057544.db2.gz RSENEMMLGYFELG-CYBMUJFWSA-N 1 0 386.474 0.908 20 5 GCBDRO COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000416577392 1199227448 /nfs/dbraw/zinc/22/74/48/1199227448.db2.gz FGTKGOLUKJWDET-NSHDSACASA-N 1 0 387.414 0.329 20 5 GCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922347598 1199737641 /nfs/dbraw/zinc/73/76/41/1199737641.db2.gz SGIYRWBQCJWZJO-INIZCTEOSA-N 1 0 391.472 0.920 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123492246 1199787224 /nfs/dbraw/zinc/78/72/24/1199787224.db2.gz NWZRAXOQYNQPJW-UHFFFAOYSA-N 1 0 377.445 0.984 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000428954167 1199856383 /nfs/dbraw/zinc/85/63/83/1199856383.db2.gz QQTFKLWPNCNUAC-GFCCVEGCSA-N 1 0 392.412 0.222 20 5 GCBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330601200 1199858801 /nfs/dbraw/zinc/85/88/01/1199858801.db2.gz GGEPYEUXTLEKFL-CHWSQXEVSA-N 1 0 384.458 0.814 20 5 GCBDRO C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000428988748 1199875596 /nfs/dbraw/zinc/87/55/96/1199875596.db2.gz CFYPSADDTAVGKL-OLZOCXBDSA-N 1 0 384.458 0.768 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428993660 1199876709 /nfs/dbraw/zinc/87/67/09/1199876709.db2.gz NYZHEEZAGLYYTO-QWHCGFSZSA-N 1 0 395.464 0.141 20 5 GCBDRO O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000555758840 1199906645 /nfs/dbraw/zinc/90/66/45/1199906645.db2.gz ZZIIGRHCOZMNAI-UHFFFAOYSA-N 1 0 392.460 0.947 20 5 GCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000282430903 1199928799 /nfs/dbraw/zinc/92/87/99/1199928799.db2.gz IZJAVABMEOWXDD-CYBMUJFWSA-N 1 0 395.391 0.437 20 5 GCBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162043299 1199929557 /nfs/dbraw/zinc/92/95/57/1199929557.db2.gz CACXHVSXFGSSAP-HOTGVXAUSA-N 1 0 393.492 0.991 20 5 GCBDRO CC[NH+]1CCN(CCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000509130017 1199935335 /nfs/dbraw/zinc/93/53/35/1199935335.db2.gz PPKKCPPAVQOMFA-UHFFFAOYSA-N 1 0 397.863 0.732 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000543496873 1199963111 /nfs/dbraw/zinc/96/31/11/1199963111.db2.gz NEDBGIQFWBJSGO-CQSZACIVSA-N 1 0 380.401 0.802 20 5 GCBDRO C[NH+]1CCN(Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 ZINC000132651214 1199990316 /nfs/dbraw/zinc/99/03/16/1199990316.db2.gz RQRNOUTWCUCMRN-UHFFFAOYSA-N 1 0 399.451 0.820 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429231390 1200255491 /nfs/dbraw/zinc/25/54/91/1200255491.db2.gz GCORVSZEECOYSR-SWLSCSKDSA-N 1 0 384.458 0.720 20 5 GCBDRO CN(CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173058583 1200306891 /nfs/dbraw/zinc/30/68/91/1200306891.db2.gz QKIGRBOXEAYDQD-UHFFFAOYSA-N 1 0 389.456 0.798 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041640298 1200388585 /nfs/dbraw/zinc/38/85/85/1200388585.db2.gz MTFVTDRBOASGEX-AWEZNQCLSA-N 1 0 377.445 0.984 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041640660 1200388699 /nfs/dbraw/zinc/38/86/99/1200388699.db2.gz OPLYSFJMYRQPLY-CYBMUJFWSA-N 1 0 377.445 0.984 20 5 GCBDRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000454854832 1200642381 /nfs/dbraw/zinc/64/23/81/1200642381.db2.gz CARMPPNLPSEYBW-UHFFFAOYSA-N 1 0 388.432 1.102 20 5 GCBDRO CNc1nccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000594288623 1200735375 /nfs/dbraw/zinc/73/53/75/1200735375.db2.gz DQWMQUIQLGUUPO-AWEZNQCLSA-N 1 0 376.461 1.272 20 5 GCBDRO CNc1nccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539400 1200740612 /nfs/dbraw/zinc/74/06/12/1200740612.db2.gz QVJNPQZSBYJFOZ-LSDHHAIUSA-N 1 0 385.424 1.397 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000429399331 1200976421 /nfs/dbraw/zinc/97/64/21/1200976421.db2.gz BTLRTNUSPYCVEH-IOASZLSFSA-N 1 0 396.469 0.957 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429407615 1200988769 /nfs/dbraw/zinc/98/87/69/1200988769.db2.gz RIZKUHAKJGRRPM-KBPBESRZSA-N 1 0 398.485 0.967 20 5 GCBDRO C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000429423658 1201021544 /nfs/dbraw/zinc/02/15/44/1201021544.db2.gz YRBYNTLNWLECBE-QWRGUYRKSA-N 1 0 385.446 0.253 20 5 GCBDRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429433681 1201036992 /nfs/dbraw/zinc/03/69/92/1201036992.db2.gz GMFPBNZDAZGIDI-LBPRGKRZSA-N 1 0 387.462 0.734 20 5 GCBDRO CN(C[C@@H](O)C1CC1)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611203623 1201224064 /nfs/dbraw/zinc/22/40/64/1201224064.db2.gz BDXZMFDLYMOETB-MRXNPFEDSA-N 1 0 386.474 0.642 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000731636714 1201493740 /nfs/dbraw/zinc/49/37/40/1201493740.db2.gz IKPUSCJPQXBVJD-ZDUSSCGKSA-N 1 0 394.428 0.547 20 5 GCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+](C)CC1 ZINC000733882398 1201610963 /nfs/dbraw/zinc/61/09/63/1201610963.db2.gz KLRGPDWQPWZZSX-OAHLLOKOSA-N 1 0 391.472 0.797 20 5 GCBDRO C[N@@H+]1CCC[C@H](N2CCN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)C1 ZINC000738209427 1201735439 /nfs/dbraw/zinc/73/54/39/1201735439.db2.gz BFLJOFGPWPESPG-HNNXBMFYSA-N 1 0 387.440 0.860 20 5 GCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001169030358 1201930500 /nfs/dbraw/zinc/93/05/00/1201930500.db2.gz YZJZKKTWLOIYHK-SOLBZPMBSA-N 1 0 377.445 0.830 20 5 GCBDRO 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 1201930753 /nfs/dbraw/zinc/93/07/53/1201930753.db2.gz WVFGPSNDXSGJQT-ZVDSWSACSA-N 1 0 377.445 0.827 20 5 GCBDRO 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 1201931137 /nfs/dbraw/zinc/93/11/37/1201931137.db2.gz IDSMBNPXNIDFON-DRBLLZIRSA-N 1 0 375.429 0.884 20 5 GCBDRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169023966 1201931547 /nfs/dbraw/zinc/93/15/47/1201931547.db2.gz WFTNWBPDZSFZTF-ZFWWWQNUSA-N 1 0 393.444 0.157 20 5 GCBDRO COc1cccc(C[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC001169261117 1201941130 /nfs/dbraw/zinc/94/11/30/1201941130.db2.gz SHLKRUPNLZATBH-HNNXBMFYSA-N 1 0 386.408 0.808 20 5 GCBDRO CS(=O)(=O)Nc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000767749796 1201986089 /nfs/dbraw/zinc/98/60/89/1201986089.db2.gz KFMOBXLKHJSANL-UHFFFAOYSA-N 1 0 394.457 0.985 20 5 GCBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2nnc3ccc(C[NH3+])cc32)n1 ZINC001170017517 1202112599 /nfs/dbraw/zinc/11/25/99/1202112599.db2.gz SGYAKXXQTFIBBY-UHFFFAOYSA-N 1 0 383.777 0.634 20 5 GCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC001129850678 1205520804 /nfs/dbraw/zinc/52/08/04/1205520804.db2.gz JFFFBNNSQOJLMZ-UHFFFAOYSA-N 1 0 377.445 0.825 20 5 GCBDRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000807026209 1205573567 /nfs/dbraw/zinc/57/35/67/1205573567.db2.gz LLTWGAWKDVOQGY-UHFFFAOYSA-N 1 0 389.456 0.844 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170572660 1205619617 /nfs/dbraw/zinc/61/96/17/1205619617.db2.gz HPRVRUJCBWRXMQ-QMTHXVAHSA-N 1 0 381.385 0.813 20 5 GCBDRO COC(=O)CNC(=O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008481 1205718131 /nfs/dbraw/zinc/71/81/31/1205718131.db2.gz AGEDDIOPJGIBAR-UHFFFAOYSA-N 1 0 386.355 0.721 20 5 GCBDRO CN1CCO[C@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173690187 1205726361 /nfs/dbraw/zinc/72/63/61/1205726361.db2.gz NBSFKBITQWDSNT-OAHLLOKOSA-N 1 0 398.485 0.668 20 5 GCBDRO O=C1NCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173692215 1205726501 /nfs/dbraw/zinc/72/65/01/1205726501.db2.gz GPCAOSGQMDCJRH-ZDUSSCGKSA-N 1 0 382.442 0.616 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCCOCCO)CC1 ZINC001173697500 1205726583 /nfs/dbraw/zinc/72/65/83/1205726583.db2.gz NZFHARYNAMYQGY-UHFFFAOYSA-N 1 0 387.458 0.737 20 5 GCBDRO CN1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC001173694143 1205726646 /nfs/dbraw/zinc/72/66/46/1205726646.db2.gz MBERNHJACBUCGJ-AWEZNQCLSA-N 1 0 396.469 0.958 20 5 GCBDRO O=C1C[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 ZINC001173693942 1205726795 /nfs/dbraw/zinc/72/67/95/1205726795.db2.gz GIUFGIGHNAVJNI-NSHDSACASA-N 1 0 396.425 0.000 20 5 GCBDRO CC[N@H+](CCC(N)=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698704 1205726912 /nfs/dbraw/zinc/72/69/12/1205726912.db2.gz MCHPNCLARDLOGG-UHFFFAOYSA-N 1 0 384.458 0.945 20 5 GCBDRO CC(=O)N[C@H]1CC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173699495 1205727060 /nfs/dbraw/zinc/72/70/60/1205727060.db2.gz OGIFGLUAJUHPPG-AWEZNQCLSA-N 1 0 396.469 0.958 20 5 GCBDRO O=Cc1ccc(OCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001180054465 1205817397 /nfs/dbraw/zinc/81/73/97/1205817397.db2.gz NUJJDUBNTWRHNV-LSDHHAIUSA-N 1 0 377.397 0.844 20 5 GCBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001180078919 1205817901 /nfs/dbraw/zinc/81/79/01/1205817901.db2.gz YCPMLYSZUXLNSP-UHFFFAOYSA-N 1 0 386.474 0.919 20 5 GCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)N2CCOCC2)n1 ZINC000774240276 1205866030 /nfs/dbraw/zinc/86/60/30/1205866030.db2.gz WVQNTCXBWGGIHB-KGLIPLIRSA-N 1 0 387.462 0.527 20 5 GCBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001184371956 1205908994 /nfs/dbraw/zinc/90/89/94/1205908994.db2.gz ZVFXSROEPVBHQN-CYBMUJFWSA-N 1 0 376.413 0.634 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851950 720855194 /nfs/dbraw/zinc/85/51/94/720855194.db2.gz BGAIWZQGRBQQKR-UONOGXRCSA-N 1 0 381.433 0.875 20 5 GCBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1 ZINC001164873526 721278017 /nfs/dbraw/zinc/27/80/17/721278017.db2.gz NXASDXSOOKNWOJ-UHFFFAOYSA-N 1 0 392.460 0.579 20 5 GCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732849 530194223 /nfs/dbraw/zinc/19/42/23/530194223.db2.gz DWEABQWQDHFTLC-GXSJLCMTSA-N 1 0 383.202 0.741 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261918185 530194691 /nfs/dbraw/zinc/19/46/91/530194691.db2.gz YJPAOZZTMRUPCE-GFCCVEGCSA-N 1 0 382.364 0.709 20 5 GCBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000579115247 530176876 /nfs/dbraw/zinc/17/68/76/530176876.db2.gz LMKBVKJPPNMZLV-UHFFFAOYSA-N 1 0 382.364 0.797 20 5 GCBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573199497 530295475 /nfs/dbraw/zinc/29/54/75/530295475.db2.gz ZWXRWBIMTBZDKQ-GFCCVEGCSA-N 1 0 375.447 0.642 20 5 GCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000274367197 530316138 /nfs/dbraw/zinc/31/61/38/530316138.db2.gz FRMAKKHEHHNMJE-UHFFFAOYSA-N 1 0 396.263 0.950 20 5 GCBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602550477 530484370 /nfs/dbraw/zinc/48/43/70/530484370.db2.gz JDGQOMJMAGZDOQ-JTQLQIEISA-N 1 0 391.165 0.918 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000567986984 530477002 /nfs/dbraw/zinc/47/70/02/530477002.db2.gz LCKOBPTXHUOFNI-JTQLQIEISA-N 1 0 393.263 0.621 20 5 GCBDRO Cc1c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000563161495 530507066 /nfs/dbraw/zinc/50/70/66/530507066.db2.gz WIWYLBZMLAJOSS-NSHDSACASA-N 1 0 378.357 0.278 20 5 GCBDRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574912120 530568838 /nfs/dbraw/zinc/56/88/38/530568838.db2.gz QJNFADMCXJYQEF-LBPRGKRZSA-N 1 0 386.206 0.366 20 5 GCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000590370352 530678504 /nfs/dbraw/zinc/67/85/04/530678504.db2.gz XYCDDBLIUAOSMO-QMMMGPOBSA-N 1 0 393.181 0.852 20 5 GCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440839200 530696190 /nfs/dbraw/zinc/69/61/90/530696190.db2.gz AGWOKBCCSFTKRX-UHFFFAOYSA-N 1 0 382.236 0.872 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592393237 530766228 /nfs/dbraw/zinc/76/62/28/530766228.db2.gz ZXXUJPJWGCXWGM-SNVBAGLBSA-N 1 0 382.364 0.796 20 5 GCBDRO O=C(CN1CCO[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420409237 530869117 /nfs/dbraw/zinc/86/91/17/530869117.db2.gz YEDGKEPXVXTMBT-QWHCGFSZSA-N 1 0 385.218 0.968 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447254000 530908420 /nfs/dbraw/zinc/90/84/20/530908420.db2.gz DRUIUALPSFWOQC-JTQLQIEISA-N 1 0 376.460 0.665 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1I ZINC000423994040 530887672 /nfs/dbraw/zinc/88/76/72/530887672.db2.gz RSWPMYBBSDPERS-VIFPVBQESA-N 1 0 391.165 0.918 20 5 GCBDRO Cc1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000443294263 530896120 /nfs/dbraw/zinc/89/61/20/530896120.db2.gz KXRXCRNIQVRGGQ-UHFFFAOYSA-N 1 0 375.447 0.464 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269775800 530925872 /nfs/dbraw/zinc/92/58/72/530925872.db2.gz RPDYTNSQBFSCMD-GFCCVEGCSA-N 1 0 396.263 0.948 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416451085 531031194 /nfs/dbraw/zinc/03/11/94/531031194.db2.gz ATDREOLIRQTUTL-LBPRGKRZSA-N 1 0 383.348 0.959 20 5 GCBDRO Cn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000737601350 598502561 /nfs/dbraw/zinc/50/25/61/598502561.db2.gz HYXWTJCSRLRQBK-UHFFFAOYSA-N 1 0 384.404 0.616 20 5 GCBDRO COc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000737092158 598526376 /nfs/dbraw/zinc/52/63/76/598526376.db2.gz KLXCDYSRUCKKEH-LLVKDONJSA-N 1 0 385.388 0.812 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000823651480 599308231 /nfs/dbraw/zinc/30/82/31/599308231.db2.gz LMCFVMYWHGITCZ-AWEZNQCLSA-N 1 0 399.415 0.155 20 5 GCBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000821628313 606727486 /nfs/dbraw/zinc/72/74/86/606727486.db2.gz FXRLWRRRCSMRLI-GJZGRUSLSA-N 1 0 382.384 0.842 20 5 GCBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])s2)c1-c1nn[nH]n1 ZINC000826083536 608019907 /nfs/dbraw/zinc/01/99/07/608019907.db2.gz MEGIQDOYLMNZCE-UHFFFAOYSA-N 1 0 377.390 0.964 20 5 GCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000825000325 608150970 /nfs/dbraw/zinc/15/09/70/608150970.db2.gz ONRLLRNDLQQTPQ-IUODEOHRSA-N 1 0 387.448 0.632 20 5 GCBDRO C[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000899732981 639274869 /nfs/dbraw/zinc/27/48/69/639274869.db2.gz QJIRMUGILKMBPT-UHFFFAOYSA-N 1 0 393.181 0.853 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1Br ZINC000842483701 642338005 /nfs/dbraw/zinc/33/80/05/642338005.db2.gz QJBAZJWBQSHROU-MRVPVSSYSA-N 1 0 380.220 0.624 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423155597 1192183273 /nfs/dbraw/zinc/18/32/73/1192183273.db2.gz QXCLJBJOJQKNIX-LJQANCHMSA-N 1 0 387.440 0.598 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424029157 1192265719 /nfs/dbraw/zinc/26/57/19/1192265719.db2.gz PCIACBFUYNHIGS-INIZCTEOSA-N 1 0 382.442 0.618 20 5 GCBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000569314409 1192385492 /nfs/dbraw/zinc/38/54/92/1192385492.db2.gz RTBADJKCBQSOSR-ZDUSSCGKSA-N 1 0 399.473 0.609 20 5 GCBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000278935621 1192391368 /nfs/dbraw/zinc/39/13/68/1192391368.db2.gz XWGKXASPFPPNKM-UHFFFAOYSA-N 1 0 390.437 0.658 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718771 1192396942 /nfs/dbraw/zinc/39/69/42/1192396942.db2.gz XMHZTODFECCOFE-ROUUACIJSA-N 1 0 376.413 0.806 20 5 GCBDRO CC(C)[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066986585 1192401832 /nfs/dbraw/zinc/40/18/32/1192401832.db2.gz NDUFBXOEVGJIKY-UHFFFAOYSA-N 1 0 399.473 0.609 20 5 GCBDRO C[C@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C[NH+]1CCCC1 ZINC000585735736 1192401961 /nfs/dbraw/zinc/40/19/61/1192401961.db2.gz OYAUBYFMOCCDEL-CQSZACIVSA-N 1 0 392.460 0.803 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000265118889 1192465425 /nfs/dbraw/zinc/46/54/25/1192465425.db2.gz UVUZPCOAFFZEOR-UHFFFAOYSA-N 1 0 380.401 0.769 20 5 GCBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512133069 1192467286 /nfs/dbraw/zinc/46/72/86/1192467286.db2.gz XPEFYLVCKGJUQJ-RYUDHWBXSA-N 1 0 399.473 0.595 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(N[C@H](CCC[NH3+])C(=O)OC)cc1[N+](=O)[O-] ZINC001167898346 1192607026 /nfs/dbraw/zinc/60/70/26/1192607026.db2.gz WTCDTLIDNKNLDF-SNVBAGLBSA-N 1 0 398.372 0.112 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000279852096 1192612087 /nfs/dbraw/zinc/61/20/87/1192612087.db2.gz ILUCFLUGLJFMFY-UHFFFAOYSA-N 1 0 397.457 0.434 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418783222 1192644566 /nfs/dbraw/zinc/64/45/66/1192644566.db2.gz OJYSQVQYXKOGGB-OCCSQVGLSA-N 1 0 391.428 0.086 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000419022746 1192725097 /nfs/dbraw/zinc/72/50/97/1192725097.db2.gz LQIXWUGBJKMJMY-VXGBXAGGSA-N 1 0 394.428 0.480 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000419032547 1192733279 /nfs/dbraw/zinc/73/32/79/1192733279.db2.gz VWZDSDROVSORFH-LLVKDONJSA-N 1 0 380.401 0.091 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000419027808 1192729144 /nfs/dbraw/zinc/72/91/44/1192729144.db2.gz QLSZHDBMZIMJSN-UHFFFAOYSA-N 1 0 394.428 0.481 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000419031964 1192731398 /nfs/dbraw/zinc/73/13/98/1192731398.db2.gz VHQVMVGGVKZEBZ-UHFFFAOYSA-N 1 0 380.401 0.093 20 5 GCBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000262601850 1192776174 /nfs/dbraw/zinc/77/61/74/1192776174.db2.gz AECRRKZWSVADFV-CHWSQXEVSA-N 1 0 382.442 0.555 20 5 GCBDRO C[NH2+]CCCC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000262636771 1192844678 /nfs/dbraw/zinc/84/46/78/1192844678.db2.gz OSVYOQOQZNYGPL-UHFFFAOYSA-N 1 0 384.458 0.736 20 5 GCBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893939969 1192880493 /nfs/dbraw/zinc/88/04/93/1192880493.db2.gz LHCFZRRTINPVDZ-DYVFJYSZSA-N 1 0 396.469 0.756 20 5 GCBDRO NCC(F)(F)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000573501305 1192904298 /nfs/dbraw/zinc/90/42/98/1192904298.db2.gz DZTRBEXEAGAKLC-UHFFFAOYSA-N 1 0 392.384 0.412 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000428739443 1192923401 /nfs/dbraw/zinc/92/34/01/1192923401.db2.gz QWLXWWBWUWZCRE-AWEZNQCLSA-N 1 0 393.448 0.478 20 5 GCBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000274536659 1184090918 /nfs/dbraw/zinc/09/09/18/1184090918.db2.gz SGKFTMUJGFXBTQ-UHFFFAOYSA-N 1 0 399.473 0.609 20 5 GCBDRO CC[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]1 ZINC000274609931 1184119171 /nfs/dbraw/zinc/11/91/71/1184119171.db2.gz NEDAZQAGKOLTPF-KRWDZBQOSA-N 1 0 396.469 0.960 20 5 GCBDRO COc1ccc(NC(=O)CSc2nnnn2CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000510073366 1184228110 /nfs/dbraw/zinc/22/81/10/1184228110.db2.gz RZPMQIIMEKLIBO-UHFFFAOYSA-N 1 0 381.418 0.882 20 5 GCBDRO C[NH+](C)C1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000275450792 1184673328 /nfs/dbraw/zinc/67/33/28/1184673328.db2.gz LTSNWEUBIUGNTF-UHFFFAOYSA-N 1 0 399.473 0.657 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275528240 1184699203 /nfs/dbraw/zinc/69/92/03/1184699203.db2.gz FHKLDNFQASOKMX-CQSZACIVSA-N 1 0 392.456 0.937 20 5 GCBDRO C[C@@H](O)CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000430422464 1184712423 /nfs/dbraw/zinc/71/24/23/1184712423.db2.gz DNWSCZAXSADQFB-VXGBXAGGSA-N 1 0 396.469 0.699 20 5 GCBDRO C[C@H](O)CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000430422463 1184712491 /nfs/dbraw/zinc/71/24/91/1184712491.db2.gz DNWSCZAXSADQFB-RYUDHWBXSA-N 1 0 396.469 0.699 20 5 GCBDRO CN(CC[NH+]1CCCC1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988043 1184884047 /nfs/dbraw/zinc/88/40/47/1184884047.db2.gz DHHBPKKZWBKPCH-UHFFFAOYSA-N 1 0 384.458 0.770 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275773200 1185044642 /nfs/dbraw/zinc/04/46/42/1185044642.db2.gz HKAFSGRTCYBKIR-LBPRGKRZSA-N 1 0 386.474 0.784 20 5 GCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000579470189 1185099565 /nfs/dbraw/zinc/09/95/65/1185099565.db2.gz YGCDGULVVUJZBV-OLZOCXBDSA-N 1 0 399.473 0.737 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261626610 1185216623 /nfs/dbraw/zinc/21/66/23/1185216623.db2.gz AMMQXOXAVBKTTK-XJKSGUPXSA-N 1 0 396.469 0.958 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000261675213 1185229113 /nfs/dbraw/zinc/22/91/13/1185229113.db2.gz GXJKXJVYFXGHKF-CYBMUJFWSA-N 1 0 382.465 0.960 20 5 GCBDRO COCC1(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261691562 1185234885 /nfs/dbraw/zinc/23/48/85/1185234885.db2.gz IMKBZHBPXIYISW-UHFFFAOYSA-N 1 0 393.444 0.526 20 5 GCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261777730 1185256150 /nfs/dbraw/zinc/25/61/50/1185256150.db2.gz HEBVFQPFRWNXQG-UKRRQHHQSA-N 1 0 378.433 0.288 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000261814352 1185263936 /nfs/dbraw/zinc/26/39/36/1185263936.db2.gz HNOXCTINYOAJDV-NVXWUHKLSA-N 1 0 396.469 0.945 20 5 GCBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261895844 1185282351 /nfs/dbraw/zinc/28/23/51/1185282351.db2.gz XTBSBCLXSFONMF-AWEZNQCLSA-N 1 0 396.469 0.817 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262030510 1185307749 /nfs/dbraw/zinc/30/77/49/1185307749.db2.gz DZCJVKJDVCNSCD-ZDUSSCGKSA-N 1 0 386.412 0.708 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(CC3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000262117913 1185374161 /nfs/dbraw/zinc/37/41/61/1185374161.db2.gz BRQGIJLBCRDTFW-UHFFFAOYSA-N 1 0 398.485 0.909 20 5 GCBDRO COCC[NH2+]CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000580951107 1185441978 /nfs/dbraw/zinc/44/19/78/1185441978.db2.gz UZQNYYBVWKHYFN-UHFFFAOYSA-N 1 0 376.417 0.746 20 5 GCBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000187387306 1185507267 /nfs/dbraw/zinc/50/72/67/1185507267.db2.gz QNAPDPNJSYNWLR-AWEZNQCLSA-N 1 0 377.445 0.984 20 5 GCBDRO C[NH2+][C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cnn(C)c1 ZINC000262232084 1185537542 /nfs/dbraw/zinc/53/75/42/1185537542.db2.gz QOBYCQWRYMEURB-AWEZNQCLSA-N 1 0 392.441 0.635 20 5 GCBDRO NS(=O)(=O)c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489231 1185554118 /nfs/dbraw/zinc/55/41/18/1185554118.db2.gz RCMAOEFRGCRNEJ-CYBMUJFWSA-N 1 0 384.458 0.933 20 5 GCBDRO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)NCC[NH+](C)C ZINC000581267233 1185563590 /nfs/dbraw/zinc/56/35/90/1185563590.db2.gz XUPDNPOPLHBSSO-JTQLQIEISA-N 1 0 375.385 0.645 20 5 GCBDRO CN(CC(=O)NCC1([NH+](C)C)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000276098056 1185570419 /nfs/dbraw/zinc/57/04/19/1185570419.db2.gz YOZZOJBIVKHMRU-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO COC1CC[NH+](CCNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610571673 1185689872 /nfs/dbraw/zinc/68/98/72/1185689872.db2.gz TZBYBPQDJCREQO-CYBMUJFWSA-N 1 0 378.429 0.940 20 5 GCBDRO C[C@H](C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C1C[NH2+]C1 ZINC000262262430 1185724918 /nfs/dbraw/zinc/72/49/18/1185724918.db2.gz UOIUFWSSDRLPGP-LBPRGKRZSA-N 1 0 396.469 0.502 20 5 GCBDRO CN(C(=O)CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000430607404 1185732375 /nfs/dbraw/zinc/73/23/75/1185732375.db2.gz YMXIGAWTXNPWMW-OAHLLOKOSA-N 1 0 389.456 0.701 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262322006 1185745840 /nfs/dbraw/zinc/74/58/40/1185745840.db2.gz QLJNJGXEADVSQP-KBPBESRZSA-N 1 0 379.465 0.333 20 5 GCBDRO 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COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000276804773 1186076032 /nfs/dbraw/zinc/07/60/32/1186076032.db2.gz DAQMSNFETQEJRR-GFCCVEGCSA-N 1 0 378.385 0.839 20 5 GCBDRO C[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000276864788 1186129131 /nfs/dbraw/zinc/12/91/31/1186129131.db2.gz ZMGWXGQOICWSDX-NSHDSACASA-N 1 0 387.462 0.323 20 5 GCBDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000277097995 1186238815 /nfs/dbraw/zinc/23/88/15/1186238815.db2.gz VZZKSZLWLQGPMP-UHFFFAOYSA-N 1 0 396.473 0.917 20 5 GCBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000262494104 1186301924 /nfs/dbraw/zinc/30/19/24/1186301924.db2.gz YSOCARBPCITBNS-VXGBXAGGSA-N 1 0 384.458 0.630 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000262508222 1186302946 /nfs/dbraw/zinc/30/29/46/1186302946.db2.gz CAHDBXCYBGNAPP-STQMWFEESA-N 1 0 384.458 0.719 20 5 GCBDRO 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O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000582219819 1186469107 /nfs/dbraw/zinc/46/91/07/1186469107.db2.gz RMGPMEZCLNSHKZ-ZWKOTPCHSA-N 1 0 393.419 0.954 20 5 GCBDRO CC[NH+]1CCC(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000582559970 1186566932 /nfs/dbraw/zinc/56/69/32/1186566932.db2.gz JJGQVUIPBSLHOM-UHFFFAOYSA-N 1 0 378.433 0.555 20 5 GCBDRO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000582660294 1186601780 /nfs/dbraw/zinc/60/17/80/1186601780.db2.gz FHKJOHMGVRVLTK-FUHWJXTLSA-N 1 0 387.440 0.976 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563440639 1186616097 /nfs/dbraw/zinc/61/60/97/1186616097.db2.gz INZZUJJEDUHWQZ-STQMWFEESA-N 1 0 377.401 0.176 20 5 GCBDRO NS(=O)(=O)c1ccc(NCC(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000431483254 1186646004 /nfs/dbraw/zinc/64/60/04/1186646004.db2.gz NECUCFAZBDWKNQ-UHFFFAOYSA-N 1 0 399.473 0.646 20 5 GCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000583145576 1186781133 /nfs/dbraw/zinc/78/11/33/1186781133.db2.gz MOEVVQRFQZCINB-UONOGXRCSA-N 1 0 391.428 0.299 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888991017 1186902189 /nfs/dbraw/zinc/90/21/89/1186902189.db2.gz MMXAXXIOULGFJZ-CQSZACIVSA-N 1 0 381.481 0.533 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000583743110 1186929317 /nfs/dbraw/zinc/92/93/17/1186929317.db2.gz BPMCIZGKDPMAAW-OAHLLOKOSA-N 1 0 390.444 0.272 20 5 GCBDRO CNc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000583751589 1186932269 /nfs/dbraw/zinc/93/22/69/1186932269.db2.gz IZCQRZUWKUZQJK-CQSZACIVSA-N 1 0 375.429 0.921 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000583872551 1186955884 /nfs/dbraw/zinc/95/58/84/1186955884.db2.gz RJFREGAWAOMSRU-UKRRQHHQSA-N 1 0 396.469 0.734 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1=CC[N@H+](C)CC1 ZINC000584140610 1187004826 /nfs/dbraw/zinc/00/48/26/1187004826.db2.gz PDIHTSPZZHATED-ZDUSSCGKSA-N 1 0 390.444 0.721 20 5 GCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000584341161 1187036688 /nfs/dbraw/zinc/03/66/88/1187036688.db2.gz AZCNIOOZBDEJQH-MGPQQGTHSA-N 1 0 376.413 0.594 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278754072 1187048621 /nfs/dbraw/zinc/04/86/21/1187048621.db2.gz BCBHORBQPHFYDO-JKSUJKDBSA-N 1 0 399.469 0.834 20 5 GCBDRO O=c1n(CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc2n1CCCC2 ZINC000584405543 1187052399 /nfs/dbraw/zinc/05/23/99/1187052399.db2.gz NMOCIQXHYYJHOU-CQSZACIVSA-N 1 0 391.428 0.709 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895710 1187451134 /nfs/dbraw/zinc/45/11/34/1187451134.db2.gz YNMPFFHCSKHHSR-UHFFFAOYSA-N 1 0 394.428 0.248 20 5 GCBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000410892027 1187451434 /nfs/dbraw/zinc/45/14/34/1187451434.db2.gz LRXWGZVWPQNYSD-UHFFFAOYSA-N 1 0 392.460 0.898 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1F ZINC000411319450 1187474022 /nfs/dbraw/zinc/47/40/22/1187474022.db2.gz FOFPNDRGMPXBDI-UHFFFAOYSA-N 1 0 382.392 0.517 20 5 GCBDRO CCNC(=O)CN1CCCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000411631011 1187494510 /nfs/dbraw/zinc/49/45/10/1187494510.db2.gz ICJNDCKLQSGKCQ-UHFFFAOYSA-N 1 0 396.419 0.955 20 5 GCBDRO CC(C)(C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000236697238 1187530573 /nfs/dbraw/zinc/53/05/73/1187530573.db2.gz HHMSPVOIIMTOOU-UKRRQHHQSA-N 1 0 392.460 0.633 20 5 GCBDRO CCOC(=O)c1cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000582604811 1187757718 /nfs/dbraw/zinc/75/77/18/1187757718.db2.gz GHTJIVZEVZSQFE-UHFFFAOYSA-N 1 0 389.372 0.552 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472556501 1187767138 /nfs/dbraw/zinc/76/71/38/1187767138.db2.gz BRGXYEQBYUYEOJ-LBPRGKRZSA-N 1 0 381.408 0.815 20 5 GCBDRO C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582725419 1187788361 /nfs/dbraw/zinc/78/83/61/1187788361.db2.gz UZQGYBSKFRDHDE-IUODEOHRSA-N 1 0 384.458 0.992 20 5 GCBDRO CN1CC[NH+](CCCCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000549097248 1187927088 /nfs/dbraw/zinc/92/70/88/1187927088.db2.gz ARJXDLRSRBIGHX-UHFFFAOYSA-N 1 0 398.485 0.756 20 5 GCBDRO CCN1CC[NH+](C[C@H](C)CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000189443815 1187942222 /nfs/dbraw/zinc/94/22/22/1187942222.db2.gz YASOGWSAYRGZDD-CYBMUJFWSA-N 1 0 385.490 0.928 20 5 GCBDRO 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 1188005828 /nfs/dbraw/zinc/00/58/28/1188005828.db2.gz XOEWUWNKYGXJFC-PNBKFKSVSA-N 1 0 379.461 0.946 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415371547 1188063916 /nfs/dbraw/zinc/06/39/16/1188063916.db2.gz PTBPPYDUSAXKBY-GFCCVEGCSA-N 1 0 377.401 0.155 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415499067 1188093652 /nfs/dbraw/zinc/09/36/52/1188093652.db2.gz QWOXBWOPHLGJCD-LBPRGKRZSA-N 1 0 378.385 0.839 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@@H](C)C[NH2+]1 ZINC000415554129 1188105755 /nfs/dbraw/zinc/10/57/55/1188105755.db2.gz AAQJLUOVGNLMMJ-MNOVXSKESA-N 1 0 378.385 0.903 20 5 GCBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000415681323 1188139276 /nfs/dbraw/zinc/13/92/76/1188139276.db2.gz REEHBHAHGADZLJ-QWRGUYRKSA-N 1 0 378.385 0.951 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415697938 1188142486 /nfs/dbraw/zinc/14/24/86/1188142486.db2.gz XKVUYUFEZIDBKO-KRWDZBQOSA-N 1 0 378.385 0.826 20 5 GCBDRO 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O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC000290664265 1189434203 /nfs/dbraw/zinc/43/42/03/1189434203.db2.gz KWBFIWSCALQDFN-UHFFFAOYSA-N 1 0 382.442 0.618 20 5 GCBDRO Cc1cc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416462721 1189522887 /nfs/dbraw/zinc/52/28/87/1189522887.db2.gz SBYJICZAEUFEGJ-UHFFFAOYSA-N 1 0 389.474 0.773 20 5 GCBDRO C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2N)(N2CCOCC2)CC1 ZINC000412468703 1189628012 /nfs/dbraw/zinc/62/80/12/1189628012.db2.gz VXNQFCQNBYWEGK-UHFFFAOYSA-N 1 0 377.445 0.703 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417264781 1189637940 /nfs/dbraw/zinc/63/79/40/1189637940.db2.gz ADJKOLIIPZMKJQ-QWHCGFSZSA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417275582 1189637964 /nfs/dbraw/zinc/63/79/64/1189637964.db2.gz CWOPXWSHVRQGIS-SMDDNHRTSA-N 1 0 385.446 0.170 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417264790 1189638584 /nfs/dbraw/zinc/63/85/84/1189638584.db2.gz ADORAEXGSSGMOK-QWHCGFSZSA-N 1 0 399.473 0.690 20 5 GCBDRO CN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000417283277 1189639837 /nfs/dbraw/zinc/63/98/37/1189639837.db2.gz QWBZSZMIGILZED-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417282865 1189640083 /nfs/dbraw/zinc/64/00/83/1189640083.db2.gz QJOGUCVATAGHMV-QWHCGFSZSA-N 1 0 397.457 0.124 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000417288575 1189640163 /nfs/dbraw/zinc/64/01/63/1189640163.db2.gz YPDIXVCKDXXGOW-CYBMUJFWSA-N 1 0 399.473 0.562 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417282866 1189640272 /nfs/dbraw/zinc/64/02/72/1189640272.db2.gz QJOGUCVATAGHMV-STQMWFEESA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000417289324 1189640907 /nfs/dbraw/zinc/64/09/07/1189640907.db2.gz ZVZZYQFVYBPPIF-RYUDHWBXSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000417279265 1189640920 /nfs/dbraw/zinc/64/09/20/1189640920.db2.gz IKPVYBLCKAGZLR-RISCZKNCSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417301920 1189641491 /nfs/dbraw/zinc/64/14/91/1189641491.db2.gz AVDIQLUNRRYCNB-CHWSQXEVSA-N 1 0 397.457 0.124 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000290745456 1189642072 /nfs/dbraw/zinc/64/20/72/1189642072.db2.gz JCUMKENHJPNBFJ-CYBMUJFWSA-N 1 0 377.445 0.848 20 5 GCBDRO [NH3+]CC1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417306558 1189643653 /nfs/dbraw/zinc/64/36/53/1189643653.db2.gz ALGGGLKVQPWYOH-UHFFFAOYSA-N 1 0 385.446 0.253 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307027 1189643785 /nfs/dbraw/zinc/64/37/85/1189643785.db2.gz DHXIVNVNHVAIHL-IUODEOHRSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417319795 1189646042 /nfs/dbraw/zinc/64/60/42/1189646042.db2.gz IFRSYPBEJOYMPI-CYBMUJFWSA-N 1 0 399.473 0.705 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417320979 1189646542 /nfs/dbraw/zinc/64/65/42/1189646542.db2.gz KYMUYIGXFMHWPO-TZMCWYRMSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000417320963 1189646663 /nfs/dbraw/zinc/64/66/63/1189646663.db2.gz KVGWMGOZDBXJIZ-CHWSQXEVSA-N 1 0 399.473 0.499 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000417320966 1189646827 /nfs/dbraw/zinc/64/68/27/1189646827.db2.gz KVGWMGOZDBXJIZ-STQMWFEESA-N 1 0 399.473 0.499 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417319599 1189647019 /nfs/dbraw/zinc/64/70/19/1189647019.db2.gz HZAVPRCREFNMAG-NWDGAFQWSA-N 1 0 385.446 0.313 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]C1 ZINC000417325261 1189647406 /nfs/dbraw/zinc/64/74/06/1189647406.db2.gz QLQHTJVKWAYWJN-CYBMUJFWSA-N 1 0 399.473 0.562 20 5 GCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417323035 1189647873 /nfs/dbraw/zinc/64/78/73/1189647873.db2.gz NRFBMJSHUCGKPV-LBPRGKRZSA-N 1 0 387.462 0.546 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417347896 1189648882 /nfs/dbraw/zinc/64/88/82/1189648882.db2.gz XRTGKIKOSSJLLC-GFCCVEGCSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337880 1189649390 /nfs/dbraw/zinc/64/93/90/1189649390.db2.gz JMEUAANXQQXJPD-VXGBXAGGSA-N 1 0 385.446 0.252 20 5 GCBDRO COC[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCC[NH2+]1 ZINC000584833726 1189686159 /nfs/dbraw/zinc/68/61/59/1189686159.db2.gz NKPHDCLVYIDCFN-GOSISDBHSA-N 1 0 378.429 0.930 20 5 GCBDRO CCCN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000417676512 1189695263 /nfs/dbraw/zinc/69/52/63/1189695263.db2.gz FLMTUCMRTRPSNI-CYBMUJFWSA-N 1 0 399.473 0.657 20 5 GCBDRO C[C@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000417674847 1189695422 /nfs/dbraw/zinc/69/54/22/1189695422.db2.gz AXOZZBWUOBBEHE-VXGBXAGGSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417682545 1189696107 /nfs/dbraw/zinc/69/61/07/1189696107.db2.gz SPDZIIPMZUDBGZ-NWDGAFQWSA-N 1 0 385.446 0.313 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000417684739 1189696328 /nfs/dbraw/zinc/69/63/28/1189696328.db2.gz XEDBGHQXWWVYEA-VIFPVBQESA-N 1 0 395.388 0.155 20 5 GCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417688802 1189696577 /nfs/dbraw/zinc/69/65/77/1189696577.db2.gz FDOLJJNVHLQSCR-CYBMUJFWSA-N 1 0 399.473 0.657 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417681249 1189697464 /nfs/dbraw/zinc/69/74/64/1189697464.db2.gz PSEPHWIEOLPABZ-QWHCGFSZSA-N 1 0 397.457 0.267 20 5 GCBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417680477 1189697474 /nfs/dbraw/zinc/69/74/74/1189697474.db2.gz NPPNMVHGPDAWLB-NWDGAFQWSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000417706250 1189698849 /nfs/dbraw/zinc/69/88/49/1189698849.db2.gz VPVWXSNKWNCWQG-GFCCVEGCSA-N 1 0 399.473 0.642 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418015038 1189712433 /nfs/dbraw/zinc/71/24/33/1189712433.db2.gz DAUOBKISLLWNMS-QWHCGFSZSA-N 1 0 382.442 0.619 20 5 GCBDRO [NH3+]C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000418391151 1189775268 /nfs/dbraw/zinc/77/52/68/1189775268.db2.gz BUOSEIUXJYJIBW-ZDUSSCGKSA-N 1 0 397.457 0.348 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418415524 1189780774 /nfs/dbraw/zinc/78/07/74/1189780774.db2.gz NPEJYTIKYPYLKL-UHFFFAOYSA-N 1 0 399.473 0.656 20 5 GCBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418413609 1189781570 /nfs/dbraw/zinc/78/15/70/1189781570.db2.gz SFKJVJYDUMNBIW-HNNXBMFYSA-N 1 0 399.473 0.594 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418472234 1189795750 /nfs/dbraw/zinc/79/57/50/1189795750.db2.gz NJXSBYZIASPSTI-LBPRGKRZSA-N 1 0 399.473 0.514 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418473088 1189797692 /nfs/dbraw/zinc/79/76/92/1189797692.db2.gz OHIMINWWFLIDCM-LBPRGKRZSA-N 1 0 385.446 0.206 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418473086 1189797782 /nfs/dbraw/zinc/79/77/82/1189797782.db2.gz OHIMINWWFLIDCM-GFCCVEGCSA-N 1 0 385.446 0.206 20 5 GCBDRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418485018 1189800373 /nfs/dbraw/zinc/80/03/73/1189800373.db2.gz BWZOGLSIMXQQMB-UHFFFAOYSA-N 1 0 399.473 0.610 20 5 GCBDRO [NH3+]CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418507747 1189805882 /nfs/dbraw/zinc/80/58/82/1189805882.db2.gz JMLHJRGQWLIZRQ-UHFFFAOYSA-N 1 0 385.446 0.350 20 5 GCBDRO [NH3+][C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000418503098 1189806389 /nfs/dbraw/zinc/80/63/89/1189806389.db2.gz WUMYWJCVXVASKD-ZDUSSCGKSA-N 1 0 397.457 0.348 20 5 GCBDRO COCC[NH2+]CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418509851 1189808560 /nfs/dbraw/zinc/80/85/60/1189808560.db2.gz OSVJJVYPPLGFRU-UHFFFAOYSA-N 1 0 385.446 0.360 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418519244 1189814397 /nfs/dbraw/zinc/81/43/97/1189814397.db2.gz GFHCVMLDWJNCDG-CYBMUJFWSA-N 1 0 399.473 0.656 20 5 GCBDRO Cc1nc(C)n(C[C@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000544142092 1189902363 /nfs/dbraw/zinc/90/23/63/1189902363.db2.gz LVAZYBUGDYCNTR-JKSUJKDBSA-N 1 0 391.428 0.944 20 5 GCBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000433147150 1193765194 /nfs/dbraw/zinc/76/51/94/1193765194.db2.gz NONBLVWZWBDBFD-CYBMUJFWSA-N 1 0 384.458 0.659 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348767 1193842913 /nfs/dbraw/zinc/84/29/13/1193842913.db2.gz LORXKPRICALBQU-ZANVPECISA-N 1 0 390.400 0.317 20 5 GCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419349695 1193844368 /nfs/dbraw/zinc/84/43/68/1193844368.db2.gz DQMWFISNPCPZFP-AWEZNQCLSA-N 1 0 378.385 0.677 20 5 GCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000419364387 1193867311 /nfs/dbraw/zinc/86/73/11/1193867311.db2.gz WJJZEBPWZFLVDH-HNNXBMFYSA-N 1 0 392.412 0.985 20 5 GCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261703916 1193923682 /nfs/dbraw/zinc/92/36/82/1193923682.db2.gz BPAGZMJCUITNEE-CYBMUJFWSA-N 1 0 376.335 0.926 20 5 GCBDRO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1CN(C2CC2)CCO1 ZINC000429999711 1193924330 /nfs/dbraw/zinc/92/43/30/1193924330.db2.gz LHCHXOPPEKXBKT-ZDUSSCGKSA-N 1 0 376.369 0.482 20 5 GCBDRO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1CN(C2CC2)CCO1 ZINC000429999709 1193924485 /nfs/dbraw/zinc/92/44/85/1193924485.db2.gz LHCHXOPPEKXBKT-CYBMUJFWSA-N 1 0 376.369 0.482 20 5 GCBDRO COCC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]CC1 ZINC000262383878 1193946605 /nfs/dbraw/zinc/94/66/05/1193946605.db2.gz OKFMTAWJXWYEND-UHFFFAOYSA-N 1 0 390.440 0.895 20 5 GCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513411547 1193949267 /nfs/dbraw/zinc/94/92/67/1193949267.db2.gz VQLMXQOIZMOEFP-GFCCVEGCSA-N 1 0 384.458 0.364 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419455662 1194033226 /nfs/dbraw/zinc/03/32/26/1194033226.db2.gz PVYVRRQEMLMAGT-ZFWWWQNUSA-N 1 0 377.445 0.936 20 5 GCBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000419459224 1194033917 /nfs/dbraw/zinc/03/39/17/1194033917.db2.gz CSDBSXWITCDZRY-INIZCTEOSA-N 1 0 388.428 0.847 20 5 GCBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000366388262 1194035228 /nfs/dbraw/zinc/03/52/28/1194035228.db2.gz FINZNEAANYLWQU-OAHLLOKOSA-N 1 0 379.465 0.601 20 5 GCBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419856629 1194122655 /nfs/dbraw/zinc/12/26/55/1194122655.db2.gz JGOOKNZFOVFZQQ-CQSZACIVSA-N 1 0 375.429 0.359 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419891876 1194134587 /nfs/dbraw/zinc/13/45/87/1194134587.db2.gz NUTGKFXSIIALEO-LSDHHAIUSA-N 1 0 389.456 0.748 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419891875 1194134653 /nfs/dbraw/zinc/13/46/53/1194134653.db2.gz NUTGKFXSIIALEO-HUUCEWRRSA-N 1 0 389.456 0.748 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419891873 1194134823 /nfs/dbraw/zinc/13/48/23/1194134823.db2.gz NUTGKFXSIIALEO-CABCVRRESA-N 1 0 389.456 0.748 20 5 GCBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCC1C[NH2+]C1 ZINC000419927710 1194140459 /nfs/dbraw/zinc/14/04/59/1194140459.db2.gz RJSLJRVZBCXLHK-UHFFFAOYSA-N 1 0 389.334 0.477 20 5 GCBDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419986150 1194152996 /nfs/dbraw/zinc/15/29/96/1194152996.db2.gz XGMKUIMZSZXQPA-OAHLLOKOSA-N 1 0 389.456 0.749 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420011127 1194157261 /nfs/dbraw/zinc/15/72/61/1194157261.db2.gz GGMDYDVPOXEHMH-KBPBESRZSA-N 1 0 390.444 0.272 20 5 GCBDRO Cc1c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000420032133 1194160900 /nfs/dbraw/zinc/16/09/00/1194160900.db2.gz FZNQKUKNIKSVHZ-KRWDZBQOSA-N 1 0 376.417 0.916 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052286 1194170314 /nfs/dbraw/zinc/17/03/14/1194170314.db2.gz FKVLDTURGPGJBF-WFASDCNBSA-N 1 0 378.429 0.825 20 5 GCBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420129480 1194189622 /nfs/dbraw/zinc/18/96/22/1194189622.db2.gz VCVAPHOKRGKAQI-CQSZACIVSA-N 1 0 377.445 0.877 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420182032 1194197943 /nfs/dbraw/zinc/19/79/43/1194197943.db2.gz FAAJVMFQNFPMEF-MRXNPFEDSA-N 1 0 376.413 0.581 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420187091 1194206071 /nfs/dbraw/zinc/20/60/71/1194206071.db2.gz DCNRKWABKVDHDZ-KGLIPLIRSA-N 1 0 375.429 0.487 20 5 GCBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420218474 1194214471 /nfs/dbraw/zinc/21/44/71/1194214471.db2.gz XYIUXMODKVTCDB-UONOGXRCSA-N 1 0 375.429 0.487 20 5 GCBDRO COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420253395 1194218981 /nfs/dbraw/zinc/21/89/81/1194218981.db2.gz DMLWEYHUWAKYQV-YUTCNCBUSA-N 1 0 376.413 0.932 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(N3CC[NH2+]C(C)(C)C3)c([N+](=O)[O-])c2)CC1 ZINC000420276274 1194219985 /nfs/dbraw/zinc/21/99/85/1194219985.db2.gz LPPUAHKMYOXWQN-UHFFFAOYSA-N 1 0 397.501 0.719 20 5 GCBDRO CCN(CC)S(=O)(=O)c1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420282397 1194220529 /nfs/dbraw/zinc/22/05/29/1194220529.db2.gz WNQACGFNYLCXJK-ZDUSSCGKSA-N 1 0 385.490 0.941 20 5 GCBDRO CCN(CC)S(=O)(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420282392 1194220733 /nfs/dbraw/zinc/22/07/33/1194220733.db2.gz WNQACGFNYLCXJK-CYBMUJFWSA-N 1 0 385.490 0.941 20 5 GCBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000420579221 1194242545 /nfs/dbraw/zinc/24/25/45/1194242545.db2.gz AUEDKXOTAVGEJK-UHFFFAOYSA-N 1 0 375.429 0.828 20 5 GCBDRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000502025962 1194257044 /nfs/dbraw/zinc/25/70/44/1194257044.db2.gz GQQPIKOVPCJZFJ-NEPJUHHUSA-N 1 0 380.401 0.649 20 5 GCBDRO C[NH+]1CCC(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413477868 1194267676 /nfs/dbraw/zinc/26/76/76/1194267676.db2.gz HMGVQJQCLFMBHV-UHFFFAOYSA-N 1 0 377.445 0.902 20 5 GCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC000413487174 1194271311 /nfs/dbraw/zinc/27/13/11/1194271311.db2.gz ZKHYORQVCYPSFP-UHFFFAOYSA-N 1 0 393.444 0.985 20 5 GCBDRO C[C@@H]1C[C@H](O)CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000413593136 1194302410 /nfs/dbraw/zinc/30/24/10/1194302410.db2.gz XQYSCCIQRNMGTG-OLZOCXBDSA-N 1 0 386.474 0.642 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000502918029 1194368635 /nfs/dbraw/zinc/36/86/35/1194368635.db2.gz FOIPQESSPXFYQN-ZBEGNZNMSA-N 1 0 384.458 0.690 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000502918028 1194368787 /nfs/dbraw/zinc/36/87/87/1194368787.db2.gz FOIPQESSPXFYQN-MEDUHNTESA-N 1 0 384.458 0.690 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000502918026 1194369063 /nfs/dbraw/zinc/36/90/63/1194369063.db2.gz FOIPQESSPXFYQN-BDJLRTHQSA-N 1 0 384.458 0.690 20 5 GCBDRO CC(C)[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000421985783 1194375516 /nfs/dbraw/zinc/37/55/16/1194375516.db2.gz JTGDVYGRPZPYLK-HNNXBMFYSA-N 1 0 386.474 0.918 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422017441 1194379014 /nfs/dbraw/zinc/37/90/14/1194379014.db2.gz HUPJNOMHLIWLAX-CQSZACIVSA-N 1 0 384.458 0.816 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000422100761 1194385398 /nfs/dbraw/zinc/38/53/98/1194385398.db2.gz LNUAWEQRODQBET-QGZVFWFLSA-N 1 0 389.456 0.796 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000422142647 1194398736 /nfs/dbraw/zinc/39/87/36/1194398736.db2.gz ORGMWEOTRGTVHN-UHFFFAOYSA-N 1 0 399.473 0.609 20 5 GCBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000503162405 1194400381 /nfs/dbraw/zinc/40/03/81/1194400381.db2.gz OOKMTJPTBDIZJA-HNNXBMFYSA-N 1 0 384.458 0.864 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000422152960 1194400610 /nfs/dbraw/zinc/40/06/10/1194400610.db2.gz AMKXNEGHEUZIBM-UHFFFAOYSA-N 1 0 399.473 0.609 20 5 GCBDRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261859694 1194534836 /nfs/dbraw/zinc/53/48/36/1194534836.db2.gz NAEGIDUCSLPQTH-XJKSGUPXSA-N 1 0 396.469 0.864 20 5 GCBDRO CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273703723 1194584826 /nfs/dbraw/zinc/58/48/26/1194584826.db2.gz OFSIRIPIRVNIJW-MRXNPFEDSA-N 1 0 398.485 0.957 20 5 GCBDRO CC1(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C[NH2+]C1 ZINC000422939838 1194709953 /nfs/dbraw/zinc/70/99/53/1194709953.db2.gz SAHCUYPGBZEQFD-UHFFFAOYSA-N 1 0 382.442 0.256 20 5 GCBDRO [NH3+][C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000422919634 1194710918 /nfs/dbraw/zinc/71/09/18/1194710918.db2.gz KOHYSPRYEIZQPT-OAHLLOKOSA-N 1 0 382.442 0.555 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422987548 1194713210 /nfs/dbraw/zinc/71/32/10/1194713210.db2.gz GLPHTVAAPHTKBE-CQSZACIVSA-N 1 0 389.456 0.829 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000422988575 1194713232 /nfs/dbraw/zinc/71/32/32/1194713232.db2.gz JHQAUWNHPRUPKX-GJZGRUSLSA-N 1 0 387.440 0.311 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@H]1[NH3+] ZINC000422986633 1194713373 /nfs/dbraw/zinc/71/33/73/1194713373.db2.gz CYSYEYPRBOTZFO-UONOGXRCSA-N 1 0 375.429 0.439 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422984781 1194715493 /nfs/dbraw/zinc/71/54/93/1194715493.db2.gz ZDZZNAMZLHCFCJ-ZBFHGGJFSA-N 1 0 384.458 0.230 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000422995575 1194716141 /nfs/dbraw/zinc/71/61/41/1194716141.db2.gz YMZZOVHLMKDPTG-IBGZPJMESA-N 1 0 387.440 0.455 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H]1C[NH3+] ZINC000423150907 1194731526 /nfs/dbraw/zinc/73/15/26/1194731526.db2.gz JEOQYUZESODGTH-LSDHHAIUSA-N 1 0 389.456 0.687 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423159520 1194733852 /nfs/dbraw/zinc/73/38/52/1194733852.db2.gz YFWSVVIUFCUJPL-CABCVRRESA-N 1 0 387.440 0.311 20 5 GCBDRO COC[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000423223831 1194741747 /nfs/dbraw/zinc/74/17/47/1194741747.db2.gz AUZAMTGMAPWTQH-GOSISDBHSA-N 1 0 376.413 0.505 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@H]1C[NH3+] ZINC000423569901 1194768269 /nfs/dbraw/zinc/76/82/69/1194768269.db2.gz GDZWYZDZUBQYFK-CHWSQXEVSA-N 1 0 376.413 0.628 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1C[NH3+] ZINC000423569902 1194768297 /nfs/dbraw/zinc/76/82/97/1194768297.db2.gz GDZWYZDZUBQYFK-OLZOCXBDSA-N 1 0 376.413 0.628 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@@]1(C)C[NH3+] ZINC000423580759 1194770090 /nfs/dbraw/zinc/77/00/90/1194770090.db2.gz SWTQNDPIFMPGTG-KZULUSFZSA-N 1 0 376.413 0.628 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C[NH2+]1 ZINC000423629922 1194775468 /nfs/dbraw/zinc/77/54/68/1194775468.db2.gz KTWOQMGCIUKGNC-KGLIPLIRSA-N 1 0 375.429 0.452 20 5 GCBDRO CCCN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC[NH2+]C1 ZINC000423644218 1194777648 /nfs/dbraw/zinc/77/76/48/1194777648.db2.gz DCKIYFRRQICWLT-HNNXBMFYSA-N 1 0 389.456 0.844 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@@H]1C[NH3+] ZINC000423722962 1194789048 /nfs/dbraw/zinc/78/90/48/1194789048.db2.gz GDHAZUKDVLAFBU-RHSMWYFYSA-N 1 0 389.456 0.829 20 5 GCBDRO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000423966771 1194796286 /nfs/dbraw/zinc/79/62/86/1194796286.db2.gz ZHUKLMCVWRVFAV-CQSZACIVSA-N 1 0 385.446 0.240 20 5 GCBDRO [NH3+]C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000423970720 1194797828 /nfs/dbraw/zinc/79/78/28/1194797828.db2.gz XKGNFZVGOOVABA-HNNXBMFYSA-N 1 0 384.458 0.897 20 5 GCBDRO C[C@@H]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424064792 1194800426 /nfs/dbraw/zinc/80/04/26/1194800426.db2.gz DMLYUTXGXCGQPA-JHJVBQTASA-N 1 0 384.458 0.705 20 5 GCBDRO COc1cc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000424222279 1194805765 /nfs/dbraw/zinc/80/57/65/1194805765.db2.gz DVSRNEMPTKVGEN-QWHCGFSZSA-N 1 0 375.385 0.912 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424230207 1194806360 /nfs/dbraw/zinc/80/63/60/1194806360.db2.gz ZLSTYWIZDGKTSL-BFHYXJOUSA-N 1 0 390.448 0.514 20 5 GCBDRO Cn1cc([C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]2[NH3+])cn1 ZINC000424286022 1194807377 /nfs/dbraw/zinc/80/73/77/1194807377.db2.gz FRHFCJHAWAKHTG-NWDGAFQWSA-N 1 0 388.384 0.422 20 5 GCBDRO Cn1cc([C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424390026 1194810532 /nfs/dbraw/zinc/81/05/32/1194810532.db2.gz JBDPPFUCTXIFNX-JKSUJKDBSA-N 1 0 379.442 0.627 20 5 GCBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424454741 1194815268 /nfs/dbraw/zinc/81/52/68/1194815268.db2.gz PMCHLDHCBRDYFG-ZIAGYGMSSA-N 1 0 385.446 0.442 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000424502036 1194818741 /nfs/dbraw/zinc/81/87/41/1194818741.db2.gz GGLLQDGOASNVDR-XFBWCDHKSA-N 1 0 386.412 0.459 20 5 GCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425068728 1194840920 /nfs/dbraw/zinc/84/09/20/1194840920.db2.gz UIWUPHDCKFUKLZ-GXTWGEPZSA-N 1 0 382.442 0.426 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434416496 1194844234 /nfs/dbraw/zinc/84/42/34/1194844234.db2.gz PCLOYWFPXQUROT-BBRMVZONSA-N 1 0 378.429 0.676 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000048284790 1194866588 /nfs/dbraw/zinc/86/65/88/1194866588.db2.gz IUXPXHSLDAOTQX-AWEZNQCLSA-N 1 0 378.429 0.942 20 5 GCBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H](O)CN1CCOCC1 ZINC000434988073 1194881736 /nfs/dbraw/zinc/88/17/36/1194881736.db2.gz QKHCWYGGGGHYAQ-HNNXBMFYSA-N 1 0 394.428 0.518 20 5 GCBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000505637203 1194904352 /nfs/dbraw/zinc/90/43/52/1194904352.db2.gz RWLGLXIOLGMLHC-INIZCTEOSA-N 1 0 382.442 0.800 20 5 GCBDRO CN(CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000435244304 1194905242 /nfs/dbraw/zinc/90/52/42/1194905242.db2.gz ZZGSPATZVSOYLY-AWEZNQCLSA-N 1 0 382.442 0.568 20 5 GCBDRO C[NH2+]C[C@@](C)(O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000514867136 1194923287 /nfs/dbraw/zinc/92/32/87/1194923287.db2.gz KAKGVSDTPRNSFO-MRXNPFEDSA-N 1 0 386.474 0.091 20 5 GCBDRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515235130 1194961331 /nfs/dbraw/zinc/96/13/31/1194961331.db2.gz SEFMGPXWIUZENK-QFBILLFUSA-N 1 0 388.472 0.953 20 5 GCBDRO Cn1cc(CN2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000436104787 1194985018 /nfs/dbraw/zinc/98/50/18/1194985018.db2.gz CARQFGGANJBEBM-QGZVFWFLSA-N 1 0 375.429 0.886 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]1C[NH3+] ZINC000516759619 1195093910 /nfs/dbraw/zinc/09/39/10/1195093910.db2.gz RHEXWUVZFKITLP-UONOGXRCSA-N 1 0 390.444 0.082 20 5 GCBDRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048426849 1195098175 /nfs/dbraw/zinc/09/81/75/1195098175.db2.gz SJROQLGOCGMRRH-CQSZACIVSA-N 1 0 378.429 0.894 20 5 GCBDRO NS(=O)(=O)c1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000516834447 1195102199 /nfs/dbraw/zinc/10/21/99/1195102199.db2.gz ZPHHVZPFNIVDAO-UHFFFAOYSA-N 1 0 398.441 0.364 20 5 GCBDRO CN(CC(=O)NCCC[C@@H]1CCC[NH2+]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000516921939 1195112905 /nfs/dbraw/zinc/11/29/05/1195112905.db2.gz XYCVMCRKULDNSQ-ZDUSSCGKSA-N 1 0 384.458 0.864 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000517090731 1195135429 /nfs/dbraw/zinc/13/54/29/1195135429.db2.gz PWZGIQDGKAMUJF-CQSZACIVSA-N 1 0 392.460 0.893 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000517090728 1195135457 /nfs/dbraw/zinc/13/54/57/1195135457.db2.gz PWZGIQDGKAMUJF-AWEZNQCLSA-N 1 0 392.460 0.893 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000438687972 1195236791 /nfs/dbraw/zinc/23/67/91/1195236791.db2.gz OPIINKLTGRBONQ-UHFFFAOYSA-N 1 0 380.401 0.172 20 5 GCBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520485 1195300698 /nfs/dbraw/zinc/30/06/98/1195300698.db2.gz PXYFLZPYILESKF-UKRRQHHQSA-N 1 0 382.442 0.913 20 5 GCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000506715591 1195364409 /nfs/dbraw/zinc/36/44/09/1195364409.db2.gz UWPQAMUUJUMNON-UHFFFAOYSA-N 1 0 388.428 0.993 20 5 GCBDRO O=C(NCC1C[NH2+]C1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262008184 1195392428 /nfs/dbraw/zinc/39/24/28/1195392428.db2.gz ITGYHYZOOKHHDM-HNNXBMFYSA-N 1 0 382.442 0.474 20 5 GCBDRO O=C(NCC1C[NH2+]C1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000262018393 1195418368 /nfs/dbraw/zinc/41/83/68/1195418368.db2.gz LRXZUCRBXITWAN-ZDUSSCGKSA-N 1 0 382.442 0.331 20 5 GCBDRO C[NH+](C)CCOc1cnccc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000519819595 1195573252 /nfs/dbraw/zinc/57/32/52/1195573252.db2.gz UMLACKFNNXYISK-UHFFFAOYSA-N 1 0 377.405 0.626 20 5 GCBDRO Cn1cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507824022 1195855572 /nfs/dbraw/zinc/85/55/72/1195855572.db2.gz MLXROILBIMXBHO-HNNXBMFYSA-N 1 0 380.426 0.899 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000428146865 1195914410 /nfs/dbraw/zinc/91/44/10/1195914410.db2.gz PXSRGSLLLKQHCA-QWHCGFSZSA-N 1 0 384.458 0.784 20 5 GCBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428182909 1195916833 /nfs/dbraw/zinc/91/68/33/1195916833.db2.gz KVBASHGVJMUUMF-LLVKDONJSA-N 1 0 384.820 0.906 20 5 GCBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C[C@H]1O ZINC000508367907 1195921447 /nfs/dbraw/zinc/92/14/47/1195921447.db2.gz CGGKYZYYXCJQKN-MLGOLLRUSA-N 1 0 386.474 0.642 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000520810274 1195923745 /nfs/dbraw/zinc/92/37/45/1195923745.db2.gz LHAUZUHDLOQBJH-DAXOMENPSA-N 1 0 396.469 0.849 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000438889967 1195943439 /nfs/dbraw/zinc/94/34/39/1195943439.db2.gz YZDQEUVHTURSIL-KRWDZBQOSA-N 1 0 378.385 0.291 20 5 GCBDRO COc1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000443291632 1196036459 /nfs/dbraw/zinc/03/64/59/1196036459.db2.gz FXXPFQHWIKFESL-CYBMUJFWSA-N 1 0 387.458 0.975 20 5 GCBDRO C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895247521 1196067875 /nfs/dbraw/zinc/06/78/75/1196067875.db2.gz VIBCPUHHZAXNOX-LRDDRELGSA-N 1 0 385.490 0.891 20 5 GCBDRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000429683328 1196076875 /nfs/dbraw/zinc/07/68/75/1196076875.db2.gz QHPSKHTWTPLNDT-GFCCVEGCSA-N 1 0 382.442 0.709 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000280863491 1196115143 /nfs/dbraw/zinc/11/51/43/1196115143.db2.gz DOIATDQUKDSEDH-CHWSQXEVSA-N 1 0 382.442 0.616 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000280867783 1196132091 /nfs/dbraw/zinc/13/20/91/1196132091.db2.gz DYADESMCUWXSBB-CQSZACIVSA-N 1 0 396.469 0.960 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280880201 1196264009 /nfs/dbraw/zinc/26/40/09/1196264009.db2.gz OZSNNOUOURHCRV-MLGOLLRUSA-N 1 0 382.442 0.379 20 5 GCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280908602 1196265445 /nfs/dbraw/zinc/26/54/45/1196265445.db2.gz IHUNWFCDIKEGCD-CHWSQXEVSA-N 1 0 384.458 0.672 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000280996000 1196269038 /nfs/dbraw/zinc/26/90/38/1196269038.db2.gz CVIHIENUXIAVJK-UHFFFAOYSA-N 1 0 378.429 0.386 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000281083594 1196276145 /nfs/dbraw/zinc/27/61/45/1196276145.db2.gz OFKBZDLFIUOSJP-UHFFFAOYSA-N 1 0 382.392 0.597 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000281191097 1196282796 /nfs/dbraw/zinc/28/27/96/1196282796.db2.gz KGZOAKKCRXLELX-RYUDHWBXSA-N 1 0 382.442 0.615 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000281633735 1196314923 /nfs/dbraw/zinc/31/49/23/1196314923.db2.gz GLGNEHLOROURFS-UHFFFAOYSA-N 1 0 380.401 0.505 20 5 GCBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1(C)C ZINC000281638505 1196317096 /nfs/dbraw/zinc/31/70/96/1196317096.db2.gz AHJLFDNVOIQBPA-UHFFFAOYSA-N 1 0 387.444 0.931 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000281661655 1196319516 /nfs/dbraw/zinc/31/95/16/1196319516.db2.gz KEBUMRPGUBONNJ-GFCCVEGCSA-N 1 0 380.401 0.769 20 5 GCBDRO COc1cccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1[N+](=O)[O-] ZINC000444345186 1196411725 /nfs/dbraw/zinc/41/17/25/1196411725.db2.gz ZNVHQRXRGJMGFB-UHFFFAOYSA-N 1 0 380.445 0.723 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2ccnc2C1 ZINC000428360448 1196467250 /nfs/dbraw/zinc/46/72/50/1196467250.db2.gz BTRVHZDRRVPHIC-GFCCVEGCSA-N 1 0 393.425 0.591 20 5 GCBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000523482313 1196528119 /nfs/dbraw/zinc/52/81/19/1196528119.db2.gz KWBXZXWYBXRCQW-UHFFFAOYSA-N 1 0 382.417 0.488 20 5 GCBDRO O=C(NCCC[NH+]1CCCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523980913 1196568921 /nfs/dbraw/zinc/56/89/21/1196568921.db2.gz UBRCSBWGOMXEEP-UHFFFAOYSA-N 1 0 399.473 0.658 20 5 GCBDRO CO[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C[NH3+])C1 ZINC000440834948 1196586881 /nfs/dbraw/zinc/58/68/81/1196586881.db2.gz BFUREICIOSCANS-MNOVXSKESA-N 1 0 387.414 0.493 20 5 GCBDRO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929465 1196607853 /nfs/dbraw/zinc/60/78/53/1196607853.db2.gz QYTBRUPVAICFBS-GXSJLCMTSA-N 1 0 382.442 0.906 20 5 GCBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000446159425 1196617795 /nfs/dbraw/zinc/61/77/95/1196617795.db2.gz XRNIBHWXQBBZEK-SMDDNHRTSA-N 1 0 386.405 0.128 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000525105439 1196650490 /nfs/dbraw/zinc/65/04/90/1196650490.db2.gz IKPQZPWPJKDNJH-UHFFFAOYSA-N 1 0 390.400 0.487 20 5 GCBDRO CCOC(=O)CNC(=O)C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000441080889 1196658917 /nfs/dbraw/zinc/65/89/17/1196658917.db2.gz QNQKKMYMMMVSIV-UHFFFAOYSA-N 1 0 392.412 0.925 20 5 GCBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194533 1196692116 /nfs/dbraw/zinc/69/21/16/1196692116.db2.gz ZCOUTBOSGBGVHJ-FZMZJTMJSA-N 1 0 383.430 0.493 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000525617083 1196695439 /nfs/dbraw/zinc/69/54/39/1196695439.db2.gz TVKXZCFKHXZVIN-QWHCGFSZSA-N 1 0 384.458 0.862 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000525616977 1196695450 /nfs/dbraw/zinc/69/54/50/1196695450.db2.gz OOYDNBKYQCHGRH-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449715103 1196894803 /nfs/dbraw/zinc/89/48/03/1196894803.db2.gz IMQQMUCXFVWRAP-DVOMOZLQSA-N 1 0 396.469 0.992 20 5 GCBDRO CN(CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449736758 1196895967 /nfs/dbraw/zinc/89/59/67/1196895967.db2.gz XLPQRRWIRLKCEI-SWLSCSKDSA-N 1 0 382.442 0.426 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450787313 1196953846 /nfs/dbraw/zinc/95/38/46/1196953846.db2.gz FGTYQBXJPKKAGP-BETUJISGSA-N 1 0 394.428 0.389 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452800286 1197083213 /nfs/dbraw/zinc/08/32/13/1197083213.db2.gz VGHKOCMWUSWXAG-HNNXBMFYSA-N 1 0 393.444 0.357 20 5 GCBDRO NC(=O)c1ccc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)c([N+](=O)[O-])c1 ZINC000520225478 1197093961 /nfs/dbraw/zinc/09/39/61/1197093961.db2.gz IBGBJXCITMMZPY-SJKOYZFVSA-N 1 0 375.385 0.633 20 5 GCBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536604991 1197376070 /nfs/dbraw/zinc/37/60/70/1197376070.db2.gz OPJVKXOVCLGIKX-CHWSQXEVSA-N 1 0 384.458 0.814 20 5 GCBDRO C[C@H](CC(N)=O)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000441815360 1197392807 /nfs/dbraw/zinc/39/28/07/1197392807.db2.gz XJRBLWZIWBJMNM-LLVKDONJSA-N 1 0 387.462 0.501 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429738932 1197404115 /nfs/dbraw/zinc/40/41/15/1197404115.db2.gz PVWCLGZAOONOKS-KBPBESRZSA-N 1 0 396.469 0.945 20 5 GCBDRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC000455425518 1197461354 /nfs/dbraw/zinc/46/13/54/1197461354.db2.gz CTZQUTIIXWFJOC-ZDUSSCGKSA-N 1 0 399.473 0.561 20 5 GCBDRO CN1CC[NH+](CC2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000192198869 1197536136 /nfs/dbraw/zinc/53/61/36/1197536136.db2.gz SDEVODJIEAPEDQ-UHFFFAOYSA-N 1 0 379.465 0.460 20 5 GCBDRO CCCc1n[nH]c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000265714506 1198947613 /nfs/dbraw/zinc/94/76/13/1198947613.db2.gz WSITWSCYNDMHJA-UHFFFAOYSA-N 1 0 380.449 0.800 20 5 GCBDRO CN(CC(=O)N1CC[C@H](C[NH+](C)C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265717266 1198981896 /nfs/dbraw/zinc/98/18/96/1198981896.db2.gz XRQHSFKVBCCPGF-CYBMUJFWSA-N 1 0 384.458 0.625 20 5 GCBDRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000265723522 1199020699 /nfs/dbraw/zinc/02/06/99/1199020699.db2.gz NCDCLNHMUHULQO-KGLIPLIRSA-N 1 0 378.429 0.798 20 5 GCBDRO C[NH+](C)CCN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273486559 1199022302 /nfs/dbraw/zinc/02/23/02/1199022302.db2.gz RMSZRBOMWXWVHD-UHFFFAOYSA-N 1 0 377.445 0.421 20 5 GCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000542765064 1199031292 /nfs/dbraw/zinc/03/12/92/1199031292.db2.gz XVABWGYODBVERT-UHFFFAOYSA-N 1 0 399.473 0.597 20 5 GCBDRO CC(C)[NH2+]CCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000554302199 1199050745 /nfs/dbraw/zinc/05/07/45/1199050745.db2.gz DAYIIIOSIUGNJM-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273707531 1199061783 /nfs/dbraw/zinc/06/17/83/1199061783.db2.gz PBCWFZJSHIDQOH-INIZCTEOSA-N 1 0 396.469 0.663 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000419880589 1199350464 /nfs/dbraw/zinc/35/04/64/1199350464.db2.gz SOKAXHKKHGVVCK-KBPBESRZSA-N 1 0 375.429 0.630 20 5 GCBDRO Cc1c(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000123497419 1199787370 /nfs/dbraw/zinc/78/73/70/1199787370.db2.gz HWWHBEYYONWOJU-UHFFFAOYSA-N 1 0 377.445 0.984 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000265882448 1199852797 /nfs/dbraw/zinc/85/27/97/1199852797.db2.gz CDQDULXACVNWOG-ZDUSSCGKSA-N 1 0 393.444 0.085 20 5 GCBDRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000428976181 1199866944 /nfs/dbraw/zinc/86/69/44/1199866944.db2.gz IPDATIQFWDMQTJ-CHWSQXEVSA-N 1 0 384.458 0.768 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000125097945 1199869635 /nfs/dbraw/zinc/86/96/35/1199869635.db2.gz XJCQMQRCRZBXFQ-CYBMUJFWSA-N 1 0 375.429 0.697 20 5 GCBDRO [NH3+][C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429063262 1199905675 /nfs/dbraw/zinc/90/56/75/1199905675.db2.gz KVJRVRDIQMADIW-SWLSCSKDSA-N 1 0 382.442 0.698 20 5 GCBDRO CCCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000429100599 1199919291 /nfs/dbraw/zinc/91/92/91/1199919291.db2.gz PSXWRPRRYOXMGQ-AWEZNQCLSA-N 1 0 384.458 0.864 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000429160065 1199974332 /nfs/dbraw/zinc/97/43/32/1199974332.db2.gz GEJXYVZGUSJTHJ-IUODEOHRSA-N 1 0 384.458 0.849 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245865536 1200377919 /nfs/dbraw/zinc/37/79/19/1200377919.db2.gz LILXPVWGAYTHHW-DOTOQJQBSA-N 1 0 388.428 0.726 20 5 GCBDRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041720198 1200391299 /nfs/dbraw/zinc/39/12/99/1200391299.db2.gz IWXCUBNAVLXCSX-UHFFFAOYSA-N 1 0 377.445 0.986 20 5 GCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174769696 1200405999 /nfs/dbraw/zinc/40/59/99/1200405999.db2.gz LUXMYMRFIPXXAW-CQSZACIVSA-N 1 0 377.445 0.923 20 5 GCBDRO C[NH+](C)CCn1ccc(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000598895273 1200641271 /nfs/dbraw/zinc/64/12/71/1200641271.db2.gz XTSOTCYOUIFALL-UHFFFAOYSA-N 1 0 375.389 1.113 20 5 GCBDRO C[N@H+](CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000579722157 1200656078 /nfs/dbraw/zinc/65/60/78/1200656078.db2.gz FOVHGXQHIDGLPQ-CYBMUJFWSA-N 1 0 390.469 1.503 20 5 GCBDRO CNc1nccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000594288624 1200735624 /nfs/dbraw/zinc/73/56/24/1200735624.db2.gz DQWMQUIQLGUUPO-CQSZACIVSA-N 1 0 376.461 1.272 20 5 GCBDRO CNc1nccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000594263393 1200737187 /nfs/dbraw/zinc/73/71/87/1200737187.db2.gz ZYBCJZJLBTVBAX-ZDUSSCGKSA-N 1 0 376.417 0.586 20 5 GCBDRO CNc1nccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000566019010 1200737753 /nfs/dbraw/zinc/73/77/53/1200737753.db2.gz VXZZAAZFAPJIQL-AWEZNQCLSA-N 1 0 376.461 1.272 20 5 GCBDRO CNc1nccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000578880300 1200739762 /nfs/dbraw/zinc/73/97/62/1200739762.db2.gz ICSIJVHBQDRKRN-ZDUSSCGKSA-N 1 0 378.433 0.704 20 5 GCBDRO CNc1nccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571894857 1200741105 /nfs/dbraw/zinc/74/11/05/1200741105.db2.gz IMOOXJUNUYVHIN-LJQANCHMSA-N 1 0 385.424 1.398 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])n1 ZINC000611107140 1201216702 /nfs/dbraw/zinc/21/67/02/1201216702.db2.gz FWPFJMCNMSJZIH-CYBMUJFWSA-N 1 0 386.478 0.212 20 5 GCBDRO CC(C)(CO)[NH+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000611515693 1201243228 /nfs/dbraw/zinc/24/32/28/1201243228.db2.gz KPFZYFMKHUUJTD-UHFFFAOYSA-N 1 0 398.847 0.893 20 5 GCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000730227449 1201439060 /nfs/dbraw/zinc/43/90/60/1201439060.db2.gz FXZWEVXZSSNGSP-OAHLLOKOSA-N 1 0 391.472 0.797 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCN1CCOC[C@@H]1C ZINC000731631892 1201492179 /nfs/dbraw/zinc/49/21/79/1201492179.db2.gz IWQYLCIKIAJUMD-LBPRGKRZSA-N 1 0 381.385 0.632 20 5 GCBDRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855668 1201704109 /nfs/dbraw/zinc/70/41/09/1201704109.db2.gz MHGXGNXBGIRILG-VXGBXAGGSA-N 1 0 398.441 0.144 20 5 GCBDRO 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 1201930582 /nfs/dbraw/zinc/93/05/82/1201930582.db2.gz ZFQWCHTVXGJQRJ-RNGZQALNSA-N 1 0 389.456 0.989 20 5 GCBDRO 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 1201930976 /nfs/dbraw/zinc/93/09/76/1201930976.db2.gz JAUCMGDSEWAJQB-GWZLXJJCSA-N 1 0 377.445 0.827 20 5 GCBDRO 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 1201931001 /nfs/dbraw/zinc/93/10/01/1201931001.db2.gz LQQCEMFSGSMJGE-CYUUQNCZSA-N 1 0 395.485 0.684 20 5 GCBDRO 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 1201931170 /nfs/dbraw/zinc/93/11/70/1201931170.db2.gz JAUCMGDSEWAJQB-LMHBHQSJSA-N 1 0 377.445 0.827 20 5 GCBDRO 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 1201931344 /nfs/dbraw/zinc/93/13/44/1201931344.db2.gz JAUCMGDSEWAJQB-UVLCOCDESA-N 1 0 377.445 0.827 20 5 GCBDRO 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 1201931505 /nfs/dbraw/zinc/93/15/05/1201931505.db2.gz KJSFLOSJOBOYQG-PEJOBZMASA-N 1 0 389.456 0.989 20 5 GCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C1 ZINC000768462321 1202017455 /nfs/dbraw/zinc/01/74/55/1202017455.db2.gz AHZFYYAYRUYRQS-GFCCVEGCSA-N 1 0 397.388 0.138 20 5 GCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000771655411 1202153037 /nfs/dbraw/zinc/15/30/37/1202153037.db2.gz AGLIWBMPBABNPQ-AWEZNQCLSA-N 1 0 378.429 0.928 20 5 GCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000771655415 1202153092 /nfs/dbraw/zinc/15/30/92/1202153092.db2.gz AGLIWBMPBABNPQ-CQSZACIVSA-N 1 0 378.429 0.928 20 5 GCBDRO CC(C)(C)OC(=O)NC1(CO)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000788003449 1205411043 /nfs/dbraw/zinc/41/10/43/1205411043.db2.gz GGKJRTHGSANYEI-AWEZNQCLSA-N 1 0 399.448 0.504 20 5 GCBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])O1 ZINC001170277945 1205490362 /nfs/dbraw/zinc/49/03/62/1205490362.db2.gz NBBNWCVFGPJFKM-XHBSWPGZSA-N 1 0 382.421 0.358 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341724 1205561012 /nfs/dbraw/zinc/56/10/12/1205561012.db2.gz IBFJUGMVWIRKLW-KGLIPLIRSA-N 1 0 390.396 0.300 20 5 GCBDRO Cn1nncc1CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000808116368 1205599394 /nfs/dbraw/zinc/59/93/94/1205599394.db2.gz RFBYIWWSWQAHPX-UHFFFAOYSA-N 1 0 397.461 0.565 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000808270254 1205604593 /nfs/dbraw/zinc/60/45/93/1205604593.db2.gz UKMZDHCVPQFWQI-NSHDSACASA-N 1 0 397.407 0.225 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270794 1205604889 /nfs/dbraw/zinc/60/48/89/1205604889.db2.gz LAOVDLZQUFOHGD-CDVVCGDMSA-N 1 0 390.440 0.903 20 5 GCBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001132761366 1205650579 /nfs/dbraw/zinc/65/05/79/1205650579.db2.gz OTIZICNMRUVXGS-SFHVURJKSA-N 1 0 391.428 0.750 20 5 GCBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001132977680 1205655171 /nfs/dbraw/zinc/65/51/71/1205655171.db2.gz VQWTTWAEJMUHQN-QGZVFWFLSA-N 1 0 381.385 0.743 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C2CS(=O)(=O)C2)CC1 ZINC001173690733 1205726330 /nfs/dbraw/zinc/72/63/30/1205726330.db2.gz WUMMSMDVYXELHT-UHFFFAOYSA-N 1 0 389.455 0.135 20 5 GCBDRO O=C1C[C@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC001173690899 1205726363 /nfs/dbraw/zinc/72/63/63/1205726363.db2.gz DJKXHVXTFPLOEX-GFCCVEGCSA-N 1 0 382.442 0.474 20 5 GCBDRO O=C1CC[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC001173691970 1205726399 /nfs/dbraw/zinc/72/63/99/1205726399.db2.gz XJOSNFCDHZHJFI-ZDUSSCGKSA-N 1 0 396.469 0.864 20 5 GCBDRO [NH3+]C[C@@H]1CN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC001173691136 1205726418 /nfs/dbraw/zinc/72/64/18/1205726418.db2.gz JLYQZVSOYSEHRX-CQSZACIVSA-N 1 0 384.458 0.407 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@@]2(CO)CCOC2)CC1 ZINC001173695368 1205726553 /nfs/dbraw/zinc/72/65/53/1205726553.db2.gz LLHFBYQGUPCZTH-MRXNPFEDSA-N 1 0 385.442 0.489 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCO[C@H](CO)C2)CC1 ZINC001173697306 1205726574 /nfs/dbraw/zinc/72/65/74/1205726574.db2.gz QGJJEGZORLNSAD-AWEZNQCLSA-N 1 0 385.442 0.441 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC001173695808 1205726634 /nfs/dbraw/zinc/72/66/34/1205726634.db2.gz IEAVKKVOEMGAKE-BBRMVZONSA-N 1 0 399.469 0.423 20 5 GCBDRO CN1CCOC[C@H]1C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693529 1205726721 /nfs/dbraw/zinc/72/67/21/1205726721.db2.gz RRTWHVNYIPGCPT-OAHLLOKOSA-N 1 0 398.485 0.668 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173697860 1205726799 /nfs/dbraw/zinc/72/67/99/1205726799.db2.gz WPFHMGCMICJMTQ-CYBMUJFWSA-N 1 0 396.469 0.945 20 5 GCBDRO O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179009094 1205799358 /nfs/dbraw/zinc/79/93/58/1205799358.db2.gz YKSXGNNNUHDMDJ-JTQLQIEISA-N 1 0 396.350 0.623 20 5 GCBDRO COC1(CO)CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000773935109 1205847711 /nfs/dbraw/zinc/84/77/11/1205847711.db2.gz PEXYDLSPXQBSPL-UHFFFAOYSA-N 1 0 392.456 0.717 20 5 GCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001187438729 1205962763 /nfs/dbraw/zinc/96/27/63/1205962763.db2.gz ZHSIILNSEFCVKI-ZDUSSCGKSA-N 1 0 378.433 0.297 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164848631 720846560 /nfs/dbraw/zinc/84/65/60/720846560.db2.gz APOUHMIIRXMMLR-BBRMVZONSA-N 1 0 394.428 0.950 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851946 720855393 /nfs/dbraw/zinc/85/53/93/720855393.db2.gz BGAIWZQGRBQQKR-KBPBESRZSA-N 1 0 381.433 0.875 20 5 GCBDRO C[NH+]1CCN(c2ccc(CNc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])cn2)CC1 ZINC000821628863 945759044 /nfs/dbraw/zinc/75/90/44/945759044.db2.gz SLVFXWJPBWAULE-UHFFFAOYSA-N 1 0 396.415 0.929 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000578531925 530153269 /nfs/dbraw/zinc/15/32/69/530153269.db2.gz UHXVKRURKMQBNM-NSHDSACASA-N 1 0 380.373 0.362 20 5 GCBDRO C[NH+]1CCN(CCNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418824076 530203058 /nfs/dbraw/zinc/20/30/58/530203058.db2.gz ZBXNXHMKDDTXPN-UHFFFAOYSA-N 1 0 391.213 0.676 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNc1c(I)cncc1[N+](=O)[O-] ZINC000418886803 530203640 /nfs/dbraw/zinc/20/36/40/530203640.db2.gz LQXXWOUDIPTGKF-NSHDSACASA-N 1 0 380.186 0.741 20 5 GCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599111205 530159821 /nfs/dbraw/zinc/15/98/21/530159821.db2.gz LCIPNRSNXLMTCQ-UHFFFAOYSA-N 1 0 382.236 0.953 20 5 GCBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000538158992 530243957 /nfs/dbraw/zinc/24/39/57/530243957.db2.gz JYENTHSRNSAUGK-LLVKDONJSA-N 1 0 379.460 0.286 20 5 GCBDRO COC[C@@]1(CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262334316 530214692 /nfs/dbraw/zinc/21/46/92/530214692.db2.gz RZHWSTXFIWAVKM-AWEZNQCLSA-N 1 0 377.394 0.789 20 5 GCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000478627995 530258568 /nfs/dbraw/zinc/25/85/68/530258568.db2.gz DBCJLVVDSLQCDI-JTQLQIEISA-N 1 0 380.220 0.706 20 5 GCBDRO CS(=O)(=O)N1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000570729605 530323990 /nfs/dbraw/zinc/32/39/90/530323990.db2.gz JYXPLZGXJMGBCK-UHFFFAOYSA-N 1 0 391.471 0.382 20 5 GCBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563441502 530349361 /nfs/dbraw/zinc/34/93/61/530349361.db2.gz LTHOVLZULHSCGD-CABZTGNLSA-N 1 0 388.833 0.489 20 5 GCBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000564319145 530350612 /nfs/dbraw/zinc/35/06/12/530350612.db2.gz DCQXLVYKSZBQEX-GFCCVEGCSA-N 1 0 388.833 0.999 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000546574330 530696011 /nfs/dbraw/zinc/69/60/11/530696011.db2.gz KZOYWETVGKMMFU-GFCCVEGCSA-N 1 0 383.348 0.959 20 5 GCBDRO C[C@H](C[S@](C)=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000273098261 530800973 /nfs/dbraw/zinc/80/09/73/530800973.db2.gz DUFRBINPSSDTDA-JNDILOIQSA-N 1 0 392.503 0.614 20 5 GCBDRO C[C@@H](C[S@](C)=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000273098260 530801251 /nfs/dbraw/zinc/80/12/51/530801251.db2.gz DUFRBINPSSDTDA-BUBHHJDNSA-N 1 0 392.503 0.614 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000161518352 530822628 /nfs/dbraw/zinc/82/26/28/530822628.db2.gz CGWMFNFVWOWAGD-LBPRGKRZSA-N 1 0 396.263 0.948 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNc1c(I)cncc1[N+](=O)[O-] ZINC000418886801 530855324 /nfs/dbraw/zinc/85/53/24/530855324.db2.gz LQXXWOUDIPTGKF-LLVKDONJSA-N 1 0 380.186 0.741 20 5 GCBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000420484219 530870301 /nfs/dbraw/zinc/87/03/01/530870301.db2.gz XOPCIZGVBAJLKU-SECBINFHSA-N 1 0 394.247 0.932 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000443284901 530896310 /nfs/dbraw/zinc/89/63/10/530896310.db2.gz PZAOORRMTMESMC-UHFFFAOYSA-N 1 0 375.447 0.464 20 5 GCBDRO Cc1sc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467391563 530915173 /nfs/dbraw/zinc/91/51/73/530915173.db2.gz CBHCTMQJVDBOFH-LLVKDONJSA-N 1 0 390.487 0.830 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000262748503 531059536 /nfs/dbraw/zinc/05/95/36/531059536.db2.gz MKBVYKQZEYPINI-SNVBAGLBSA-N 1 0 390.849 0.724 20 5 GCBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262835566 531072913 /nfs/dbraw/zinc/07/29/13/531072913.db2.gz WFMAHEPATCBKBF-NSHDSACASA-N 1 0 388.471 0.084 20 5 GCBDRO CN1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000577117260 531114130 /nfs/dbraw/zinc/11/41/30/531114130.db2.gz OZWAKWFFYPZHPV-NSHDSACASA-N 1 0 393.263 0.621 20 5 GCBDRO C[NH+]1CCN(C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863521 598337362 /nfs/dbraw/zinc/33/73/62/598337362.db2.gz LKYDAIHFUAHPRK-AWEZNQCLSA-N 1 0 388.432 0.228 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737747081 598501150 /nfs/dbraw/zinc/50/11/50/598501150.db2.gz WAAOVGSMMXDDPR-JTQLQIEISA-N 1 0 375.393 0.169 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737747084 598501376 /nfs/dbraw/zinc/50/13/76/598501376.db2.gz WAAOVGSMMXDDPR-SNVBAGLBSA-N 1 0 375.393 0.169 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C3CCC3)CC2)c1-c1nnn[n-]1 ZINC000823647611 606735766 /nfs/dbraw/zinc/73/57/66/606735766.db2.gz NDHODBSFUSEQBL-UHFFFAOYSA-N 1 0 393.429 0.634 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624047 607035401 /nfs/dbraw/zinc/03/54/01/607035401.db2.gz YFVKOLRFFQZRDM-HNNXBMFYSA-N 1 0 386.416 0.518 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC[S@](C)=O)c([N+](=O)[O-])c1 ZINC000735074478 640010791 /nfs/dbraw/zinc/01/07/91/640010791.db2.gz GKWQOHJLEKAVPC-DEOSSOPVSA-N 1 0 392.503 0.615 20 5 GCBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751324528 640380472 /nfs/dbraw/zinc/38/04/72/640380472.db2.gz HMLXSGQZYMEONM-UHFFFAOYSA-N 1 0 395.865 0.809 20 5 GCBDRO CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000861526075 641155189 /nfs/dbraw/zinc/15/51/89/641155189.db2.gz HHZVBTXVGNZMNO-UHFFFAOYSA-N 1 0 389.206 0.730 20 5 GCBDRO O=C(CNS(=O)(=O)c1csc([N+](=O)[O-])c1)NCC[NH+]1CCCCCC1 ZINC000814280923 641806326 /nfs/dbraw/zinc/80/63/26/641806326.db2.gz LIYPQSOWOULHNE-UHFFFAOYSA-N 1 0 390.487 0.927 20 5 GCBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842483917 642337890 /nfs/dbraw/zinc/33/78/90/642337890.db2.gz WYMKMUMETXDYNS-VIFPVBQESA-N 1 0 380.220 0.624 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000463071634 677372148 /nfs/dbraw/zinc/37/21/48/677372148.db2.gz XPRSLPIJQILUAM-UHFFFAOYSA-N 1 0 377.444 0.040 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424029159 1192265754 /nfs/dbraw/zinc/26/57/54/1192265754.db2.gz PCIACBFUYNHIGS-MRXNPFEDSA-N 1 0 382.442 0.618 20 5 GCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000568064390 1192268722 /nfs/dbraw/zinc/26/87/22/1192268722.db2.gz CTYVTNUUDVXBGO-CYBMUJFWSA-N 1 0 384.458 0.550 20 5 GCBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](C[C@H]4CCOC4)CC3)cc2n(C)c1=O ZINC000585707040 1192392178 /nfs/dbraw/zinc/39/21/78/1192392178.db2.gz LCCJVZBTWKDNHZ-CYBMUJFWSA-N 1 0 375.429 0.944 20 5 GCBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000585725634 1192398980 /nfs/dbraw/zinc/39/89/80/1192398980.db2.gz ZFPFEXNALANLAU-RYUDHWBXSA-N 1 0 386.412 0.830 20 5 GCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCN2C1=O ZINC000570060973 1192404194 /nfs/dbraw/zinc/40/41/94/1192404194.db2.gz ZROPISYHDPVWHT-CABCVRRESA-N 1 0 387.440 0.582 20 5 GCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1C[C@@H]3CCC[N@H+]3C[C@@H]1CO)OCCO2 ZINC001671316363 1192428825 /nfs/dbraw/zinc/42/88/25/1192428825.db2.gz ANJYRVJKOWTSOP-NWDGAFQWSA-N 1 0 399.425 0.196 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000278986729 1192428044 /nfs/dbraw/zinc/42/80/44/1192428044.db2.gz ATVNFTHDCKLQEZ-QGZVFWFLSA-N 1 0 375.385 0.906 20 5 GCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000265133099 1192475251 /nfs/dbraw/zinc/47/52/51/1192475251.db2.gz SBFNNBLORPRNFJ-GFCCVEGCSA-N 1 0 384.458 0.364 20 5 GCBDRO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000432532768 1192536371 /nfs/dbraw/zinc/53/63/71/1192536371.db2.gz YOQAKAVUXLAMNK-UHFFFAOYSA-N 1 0 390.444 0.591 20 5 GCBDRO C[NH+](C)CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000279670702 1192573979 /nfs/dbraw/zinc/57/39/79/1192573979.db2.gz DKNFQNKXMHVRBH-HNNXBMFYSA-N 1 0 399.469 0.941 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000512266188 1192591074 /nfs/dbraw/zinc/59/10/74/1192591074.db2.gz DMXUDMQCOVYEKA-LBPRGKRZSA-N 1 0 386.430 0.685 20 5 GCBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418733296 1192638084 /nfs/dbraw/zinc/63/80/84/1192638084.db2.gz RKFWHGDFZKBVMB-LBPRGKRZSA-N 1 0 385.446 0.348 20 5 GCBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418733295 1192638179 /nfs/dbraw/zinc/63/81/79/1192638179.db2.gz RKFWHGDFZKBVMB-GFCCVEGCSA-N 1 0 385.446 0.348 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418784585 1192643755 /nfs/dbraw/zinc/64/37/55/1192643755.db2.gz HEMITLPLRQDXAD-INIZCTEOSA-N 1 0 391.428 0.441 20 5 GCBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418824142 1192656441 /nfs/dbraw/zinc/65/64/41/1192656441.db2.gz ZITLMEHFGNMIDP-STQMWFEESA-N 1 0 380.832 0.975 20 5 GCBDRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000418820536 1192658115 /nfs/dbraw/zinc/65/81/15/1192658115.db2.gz WBIWHJNDBPOIAE-UONOGXRCSA-N 1 0 398.847 0.872 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000419019186 1192724359 /nfs/dbraw/zinc/72/43/59/1192724359.db2.gz IUGVLUWVZGKBBW-GFCCVEGCSA-N 1 0 380.401 0.139 20 5 GCBDRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000261670902 1192726588 /nfs/dbraw/zinc/72/65/88/1192726588.db2.gz BWUOLJGFUJXVNC-ZIAGYGMSSA-N 1 0 396.469 0.864 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000419028711 1192730014 /nfs/dbraw/zinc/73/00/14/1192730014.db2.gz RKPPQZDLOUNOPK-TXEJJXNPSA-N 1 0 394.428 0.480 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000419030263 1192730375 /nfs/dbraw/zinc/73/03/75/1192730375.db2.gz SOFRMQDUBOPABV-GFCCVEGCSA-N 1 0 380.401 0.220 20 5 GCBDRO 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O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[NH2+]CCCO1 ZINC000582605486 1187757746 /nfs/dbraw/zinc/75/77/46/1187757746.db2.gz AVTZIRDIBGHSDW-ZDUSSCGKSA-N 1 0 378.385 0.778 20 5 GCBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376450007 1187847143 /nfs/dbraw/zinc/84/71/43/1187847143.db2.gz RCIIAUDFQVXPOM-AAEUAGOBSA-N 1 0 382.442 0.941 20 5 GCBDRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415296768 1188024194 /nfs/dbraw/zinc/02/41/94/1188024194.db2.gz NGOJDELZOOVPQK-UHFFFAOYSA-N 1 0 398.423 0.997 20 5 GCBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415300157 1188025969 /nfs/dbraw/zinc/02/59/69/1188025969.db2.gz ROCACBZQOCIGAG-UHFFFAOYSA-N 1 0 396.407 0.880 20 5 GCBDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000415304022 1188027637 /nfs/dbraw/zinc/02/76/37/1188027637.db2.gz PJBCSNCMVXOFEH-UHFFFAOYSA-N 1 0 378.385 0.892 20 5 GCBDRO 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O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000312349086 1189592461 /nfs/dbraw/zinc/59/24/61/1189592461.db2.gz ATTYMSYUPNYSCO-MSOLQXFVSA-N 1 0 375.429 0.643 20 5 GCBDRO C[NH+]1CCC(CNC(=O)COc2ccccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000412475102 1189636555 /nfs/dbraw/zinc/63/65/55/1189636555.db2.gz MFQJERFFSHJDSY-UHFFFAOYSA-N 1 0 392.456 0.886 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417277754 1189637864 /nfs/dbraw/zinc/63/78/64/1189637864.db2.gz GKNYBZFDAQUUDZ-TZMCWYRMSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417277753 1189637944 /nfs/dbraw/zinc/63/79/44/1189637944.db2.gz GKNYBZFDAQUUDZ-OCCSQVGLSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417275580 1189638165 /nfs/dbraw/zinc/63/81/65/1189638165.db2.gz CWOPXWSHVRQGIS-RISCZKNCSA-N 1 0 385.446 0.170 20 5 GCBDRO 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C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417281253 1189639392 /nfs/dbraw/zinc/63/93/92/1189639392.db2.gz MYSQUQMDGALCEY-VXGBXAGGSA-N 1 0 385.446 0.313 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000417284964 1189639893 /nfs/dbraw/zinc/63/98/93/1189639893.db2.gz TYNZOPFJTYWIMJ-LLVKDONJSA-N 1 0 395.388 0.155 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000417289282 1189640891 /nfs/dbraw/zinc/64/08/91/1189640891.db2.gz ZPMMVLBADOTNQE-GFCCVEGCSA-N 1 0 385.446 0.172 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307422 1189643574 /nfs/dbraw/zinc/64/35/74/1189643574.db2.gz BHUDOIZKIUTFDG-WFASDCNBSA-N 1 0 399.473 0.784 20 5 GCBDRO CC1(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000417322031 1189646692 /nfs/dbraw/zinc/64/66/92/1189646692.db2.gz MISTXYOBUGPLHJ-UHFFFAOYSA-N 1 0 385.446 0.314 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417319081 1189646835 /nfs/dbraw/zinc/64/68/35/1189646835.db2.gz HCGILRDMMSOJEB-VXGBXAGGSA-N 1 0 385.446 0.442 20 5 GCBDRO O=C(NCCC[NH2+]C1CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417322862 1189647403 /nfs/dbraw/zinc/64/74/03/1189647403.db2.gz NILVUMLXAHQCCQ-UHFFFAOYSA-N 1 0 385.446 0.314 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417331239 1189648432 /nfs/dbraw/zinc/64/84/32/1189648432.db2.gz VUDAKXRRNFCABN-QWHCGFSZSA-N 1 0 399.473 0.642 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417347193 1189649222 /nfs/dbraw/zinc/64/92/22/1189649222.db2.gz WUEPPODXFHSPDK-ZDUSSCGKSA-N 1 0 399.473 0.514 20 5 GCBDRO [NH3+]C1(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000417348496 1189650244 /nfs/dbraw/zinc/65/02/44/1189650244.db2.gz YTSKOSNCQXRPCE-UHFFFAOYSA-N 1 0 399.473 0.834 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000566493806 1189694451 /nfs/dbraw/zinc/69/44/51/1189694451.db2.gz ICDCLOVLDRRFHL-AAEUAGOBSA-N 1 0 377.401 0.176 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417678979 1189695793 /nfs/dbraw/zinc/69/57/93/1189695793.db2.gz KQFXGRKDIHAILI-CHWSQXEVSA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689413 1189696618 /nfs/dbraw/zinc/69/66/18/1189696618.db2.gz GELXBKHFLJHIJJ-RYUDHWBXSA-N 1 0 385.446 0.252 20 5 GCBDRO [NH3+]C1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000417689248 1189696949 /nfs/dbraw/zinc/69/69/49/1189696949.db2.gz FUCCUKYEYJADAP-UHFFFAOYSA-N 1 0 399.473 0.834 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417681251 1189697272 /nfs/dbraw/zinc/69/72/72/1189697272.db2.gz PSEPHWIEOLPABZ-STQMWFEESA-N 1 0 397.457 0.267 20 5 GCBDRO O=C(NCCN1CC[NH2+]CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418308626 1189756301 /nfs/dbraw/zinc/75/63/01/1189756301.db2.gz UYIZBQAFQGRVOE-UHFFFAOYSA-N 1 0 396.473 0.029 20 5 GCBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418379326 1189770733 /nfs/dbraw/zinc/77/07/33/1189770733.db2.gz ISYNVJSSWSLZSC-ZDUSSCGKSA-N 1 0 397.457 0.363 20 5 GCBDRO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418382517 1189771665 /nfs/dbraw/zinc/77/16/65/1189771665.db2.gz MDWPPWILDAPJLT-ZDUSSCGKSA-N 1 0 397.457 0.363 20 5 GCBDRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000566668805 1189778412 /nfs/dbraw/zinc/77/84/12/1189778412.db2.gz NEAJEJSYBLXHMT-UHFFFAOYSA-N 1 0 377.445 0.748 20 5 GCBDRO CC(C)([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418418178 1189782507 /nfs/dbraw/zinc/78/25/07/1189782507.db2.gz WFGNFPXSBSXGQT-UHFFFAOYSA-N 1 0 385.446 0.348 20 5 GCBDRO C[NH+]1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000110613313 1189806288 /nfs/dbraw/zinc/80/62/88/1189806288.db2.gz YQTCNQYQNQNINN-CYBMUJFWSA-N 1 0 395.485 0.625 20 5 GCBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418532008 1189818128 /nfs/dbraw/zinc/81/81/28/1189818128.db2.gz SMCJHFKVPGSRAM-LBPRGKRZSA-N 1 0 385.446 0.348 20 5 GCBDRO C[N@@H+]1CCCN(CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000613794123 1190061019 /nfs/dbraw/zinc/06/10/19/1190061019.db2.gz WGUSLZDOQPKKIT-UHFFFAOYSA-N 1 0 377.445 0.468 20 5 GCBDRO C[C@@H](CCCC[NH3+])NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000292088628 1193727664 /nfs/dbraw/zinc/72/76/64/1193727664.db2.gz MZRHRDRGUWQKCA-NSHDSACASA-N 1 0 387.462 0.678 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348765 1193842554 /nfs/dbraw/zinc/84/25/54/1193842554.db2.gz LORXKPRICALBQU-RNCFNFMXSA-N 1 0 390.400 0.317 20 5 GCBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000261657599 1193922179 /nfs/dbraw/zinc/92/21/79/1193922179.db2.gz AHNIBTAQXIXXOB-ZIAGYGMSSA-N 1 0 396.469 0.803 20 5 GCBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000576754370 1193944838 /nfs/dbraw/zinc/94/48/38/1193944838.db2.gz OIXHYZVQQRISCX-VXGBXAGGSA-N 1 0 399.473 0.059 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000280737683 1194017091 /nfs/dbraw/zinc/01/70/91/1194017091.db2.gz JGBAIBAMKZLCAX-UHFFFAOYSA-N 1 0 396.469 0.864 20 5 GCBDRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000280736065 1194017201 /nfs/dbraw/zinc/01/72/01/1194017201.db2.gz IYEZQTUWGSLKQE-ZDUSSCGKSA-N 1 0 384.458 0.721 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000419454056 1194033274 /nfs/dbraw/zinc/03/32/74/1194033274.db2.gz LIVGYWIPQHNOPJ-CQSZACIVSA-N 1 0 377.445 0.937 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000419457297 1194033905 /nfs/dbraw/zinc/03/39/05/1194033905.db2.gz VZHSWJHHFNHAIH-AWEZNQCLSA-N 1 0 377.445 0.937 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000419451918 1194036830 /nfs/dbraw/zinc/03/68/30/1194036830.db2.gz FLDXAKPJDPQWKG-AWEZNQCLSA-N 1 0 393.444 0.316 20 5 GCBDRO [NH3+]C1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C2CC3CC(C2)CC1C3 ZINC000419465325 1194043382 /nfs/dbraw/zinc/04/33/82/1194043382.db2.gz OSQDSNZTTYHGTI-UHFFFAOYSA-N 1 0 390.444 0.177 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000419899058 1194136184 /nfs/dbraw/zinc/13/61/84/1194136184.db2.gz QGWRRCMHXJPLOB-UONOGXRCSA-N 1 0 375.429 0.630 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025394 1194159106 /nfs/dbraw/zinc/15/91/06/1194159106.db2.gz BPADHTKCYCYPLH-NHYWBVRUSA-N 1 0 376.413 0.709 20 5 GCBDRO C[C@H](C[NH3+])NC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420016061 1194162675 /nfs/dbraw/zinc/16/26/75/1194162675.db2.gz RREXBLJSIQZFJI-MRVPVSSYSA-N 1 0 377.323 0.605 20 5 GCBDRO C[C@]1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000420089409 1194175397 /nfs/dbraw/zinc/17/53/97/1194175397.db2.gz DJFSETMWHGHXJM-SFHVURJKSA-N 1 0 390.444 0.144 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420182031 1194197888 /nfs/dbraw/zinc/19/78/88/1194197888.db2.gz FAAJVMFQNFPMEF-INIZCTEOSA-N 1 0 376.413 0.581 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420197920 1194202474 /nfs/dbraw/zinc/20/24/74/1194202474.db2.gz VRKFKJKTOUYHSZ-MRXNPFEDSA-N 1 0 376.413 0.581 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420237079 1194217137 /nfs/dbraw/zinc/21/71/37/1194217137.db2.gz FSUMFXUWDKKHQW-BETUJISGSA-N 1 0 382.442 0.271 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000420303507 1194221196 /nfs/dbraw/zinc/22/11/96/1194221196.db2.gz KLYHIOACZHOQTH-AWEZNQCLSA-N 1 0 398.485 0.909 20 5 GCBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)Cn1cccn1 ZINC000421034458 1194283877 /nfs/dbraw/zinc/28/38/77/1194283877.db2.gz YJYIUCKSMROFNC-AWEZNQCLSA-N 1 0 383.430 0.063 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000237186691 1194310039 /nfs/dbraw/zinc/31/00/39/1194310039.db2.gz UJSKXSLBSYURMO-ZDUSSCGKSA-N 1 0 377.445 0.849 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366946862 1194335927 /nfs/dbraw/zinc/33/59/27/1194335927.db2.gz UIWNZFXXUUDVEA-KBPBESRZSA-N 1 0 392.412 0.911 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422028768 1194377818 /nfs/dbraw/zinc/37/78/18/1194377818.db2.gz XKLHACBRFUEXSP-AWEZNQCLSA-N 1 0 384.458 0.816 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422098407 1194384020 /nfs/dbraw/zinc/38/40/20/1194384020.db2.gz JVDNNRLUUJJBRM-HNNXBMFYSA-N 1 0 389.456 0.796 20 5 GCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422296293 1194607325 /nfs/dbraw/zinc/60/73/25/1194607325.db2.gz OMOCJFSJFVVSGN-CQSZACIVSA-N 1 0 392.460 0.485 20 5 GCBDRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000422339354 1194619936 /nfs/dbraw/zinc/61/99/36/1194619936.db2.gz XEOOSIUJQRRZDB-UHFFFAOYSA-N 1 0 390.444 0.239 20 5 GCBDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000422941291 1194710298 /nfs/dbraw/zinc/71/02/98/1194710298.db2.gz UXULEYNAQWKUSY-SMDDNHRTSA-N 1 0 384.458 0.915 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000422920864 1194710794 /nfs/dbraw/zinc/71/07/94/1194710794.db2.gz NBEHVQVTTMRDBD-DYVFJYSZSA-N 1 0 394.453 0.488 20 5 GCBDRO 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C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423152250 1194731669 /nfs/dbraw/zinc/73/16/69/1194731669.db2.gz LJXMWLCBZOZXFG-AWEZNQCLSA-N 1 0 375.429 0.454 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423160539 1194733845 /nfs/dbraw/zinc/73/38/45/1194733845.db2.gz ZOWWXFZEVGCBGO-GJZGRUSLSA-N 1 0 387.440 0.311 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423159521 1194734106 /nfs/dbraw/zinc/73/41/06/1194734106.db2.gz YFWSVVIUFCUJPL-GJZGRUSLSA-N 1 0 387.440 0.311 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000423400861 1194753637 /nfs/dbraw/zinc/75/36/37/1194753637.db2.gz VITWRYCUTLGMCG-ZDUSSCGKSA-N 1 0 376.413 0.785 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)C[C@@H]21 ZINC000423564559 1194767358 /nfs/dbraw/zinc/76/73/58/1194767358.db2.gz ARKKJMUYBCTSHI-AFAVFJNCSA-N 1 0 388.424 0.770 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)C[C@H]21 ZINC000423564561 1194767361 /nfs/dbraw/zinc/76/73/61/1194767361.db2.gz ARKKJMUYBCTSHI-JCURWCKSSA-N 1 0 388.424 0.770 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423582801 1194770549 /nfs/dbraw/zinc/77/05/49/1194770549.db2.gz BCKXTGYOBOSMGV-KGLIPLIRSA-N 1 0 390.444 0.224 20 5 GCBDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000423587374 1194771686 /nfs/dbraw/zinc/77/16/86/1194771686.db2.gz FPCFBZYMIVELJN-UHFFFAOYSA-N 1 0 390.444 0.096 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423620948 1194777736 /nfs/dbraw/zinc/77/77/36/1194777736.db2.gz XDBWUVVKIQMKGF-INIZCTEOSA-N 1 0 375.429 0.454 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000423697952 1194783414 /nfs/dbraw/zinc/78/34/14/1194783414.db2.gz LWCIJYFDPOJLKO-ZBFHGGJFSA-N 1 0 376.413 0.487 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423686881 1194786095 /nfs/dbraw/zinc/78/60/95/1194786095.db2.gz URQHQLZWHZROIQ-RHSMWYFYSA-N 1 0 389.456 0.972 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424233347 1194806459 /nfs/dbraw/zinc/80/64/59/1194806459.db2.gz ITQDXADREFBSIA-XFBWCDHKSA-N 1 0 386.412 0.400 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424444719 1194811659 /nfs/dbraw/zinc/81/16/59/1194811659.db2.gz DHYMBXDJSBSMKL-LSDHHAIUSA-N 1 0 386.412 0.783 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000424502034 1194818955 /nfs/dbraw/zinc/81/89/55/1194818955.db2.gz GGLLQDGOASNVDR-KNXALSJPSA-N 1 0 386.412 0.459 20 5 GCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546613 1194823407 /nfs/dbraw/zinc/82/34/07/1194823407.db2.gz NHJSTWPQCAGIMH-LSDHHAIUSA-N 1 0 386.412 0.240 20 5 GCBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000434729125 1194864398 /nfs/dbraw/zinc/86/43/98/1194864398.db2.gz XFZUYQXJWDSBHJ-FUHWJXTLSA-N 1 0 393.440 0.686 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000514603255 1194886814 /nfs/dbraw/zinc/88/68/14/1194886814.db2.gz PEEYWZYUXIMMAT-AWEZNQCLSA-N 1 0 384.458 0.254 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1=O ZINC000425308556 1194904696 /nfs/dbraw/zinc/90/46/96/1194904696.db2.gz CIYZXMFUXXMAEO-CYBMUJFWSA-N 1 0 394.428 0.512 20 5 GCBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)C1=O ZINC000425308559 1194904776 /nfs/dbraw/zinc/90/47/76/1194904776.db2.gz LOLBADNCQSVOLJ-ZDUSSCGKSA-N 1 0 390.396 0.748 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435247928 1194905624 /nfs/dbraw/zinc/90/56/24/1194905624.db2.gz YNYMEMNIKGDLJN-CQSZACIVSA-N 1 0 382.442 0.616 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244746 1194905898 /nfs/dbraw/zinc/90/58/98/1194905898.db2.gz HRRSILMUOWFUDO-AWEZNQCLSA-N 1 0 382.442 0.616 20 5 GCBDRO CN(CC(=O)N(CC[NH+](C)C)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000505654597 1194912482 /nfs/dbraw/zinc/91/24/82/1194912482.db2.gz DKJGZHLBOXSBBK-UHFFFAOYSA-N 1 0 384.458 0.768 20 5 GCBDRO O=C1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000514859666 1194921775 /nfs/dbraw/zinc/92/17/75/1194921775.db2.gz AXBYRRHSXZXKEW-WBVHZDCISA-N 1 0 396.469 0.661 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1=O ZINC000436747885 1195033325 /nfs/dbraw/zinc/03/33/25/1195033325.db2.gz PLBQSFMUNHMABV-LBPRGKRZSA-N 1 0 380.401 0.209 20 5 GCBDRO CC[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516807271 1195101455 /nfs/dbraw/zinc/10/14/55/1195101455.db2.gz BSGZIAJBWWCZSZ-UHFFFAOYSA-N 1 0 384.458 0.864 20 5 GCBDRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000517024930 1195125713 /nfs/dbraw/zinc/12/57/13/1195125713.db2.gz FQFVFRMNXLDNBN-KBPBESRZSA-N 1 0 389.412 0.772 20 5 GCBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000517362888 1195175859 /nfs/dbraw/zinc/17/58/59/1195175859.db2.gz CXTCLSLESSZZET-JSGCOSHPSA-N 1 0 396.469 0.645 20 5 GCBDRO CC[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000517680480 1195206901 /nfs/dbraw/zinc/20/69/01/1195206901.db2.gz AUXSMYWKTIAGEZ-UHFFFAOYSA-N 1 0 384.458 0.817 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000517738154 1195211520 /nfs/dbraw/zinc/21/15/20/1195211520.db2.gz DPHXLEWFFVXDNX-UONOGXRCSA-N 1 0 379.465 0.333 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC000517950235 1195231611 /nfs/dbraw/zinc/23/16/11/1195231611.db2.gz TVBRCZJXZUVWNT-UHFFFAOYSA-N 1 0 384.458 0.865 20 5 GCBDRO CC(C)(O)C[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000518000890 1195237785 /nfs/dbraw/zinc/23/77/85/1195237785.db2.gz AVVMXPBXILYPSV-UHFFFAOYSA-N 1 0 390.396 0.106 20 5 GCBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518974643 1195354055 /nfs/dbraw/zinc/35/40/55/1195354055.db2.gz SPPNQGYTPOFAIB-UHFFFAOYSA-N 1 0 384.356 0.629 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000440049942 1195378205 /nfs/dbraw/zinc/37/82/05/1195378205.db2.gz KGCQIMQWFUCPNU-CYBMUJFWSA-N 1 0 393.444 0.684 20 5 GCBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000506779491 1195391531 /nfs/dbraw/zinc/39/15/31/1195391531.db2.gz VZZGYMUZEMIFBR-UHFFFAOYSA-N 1 0 380.449 0.874 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000440359001 1195410913 /nfs/dbraw/zinc/41/09/13/1195410913.db2.gz VXUUBSJVQDYOMJ-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000440359000 1195410993 /nfs/dbraw/zinc/41/09/93/1195410993.db2.gz VXUUBSJVQDYOMJ-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO COC(=O)Cn1cc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000440492475 1195508376 /nfs/dbraw/zinc/50/83/76/1195508376.db2.gz UEOXEMQBWIECFC-GFCCVEGCSA-N 1 0 375.389 0.483 20 5 GCBDRO 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 1195520767 /nfs/dbraw/zinc/52/07/67/1195520767.db2.gz XOEWUWNKYGXJFC-KCYZZUKISA-N 1 0 379.461 0.946 20 5 GCBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000427293055 1195524638 /nfs/dbraw/zinc/52/46/38/1195524638.db2.gz XEFUWJZMFRJYBH-ZIAGYGMSSA-N 1 0 380.449 0.924 20 5 GCBDRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000519639433 1195561143 /nfs/dbraw/zinc/56/11/43/1195561143.db2.gz IQEDNMHLUXBKFA-MRXNPFEDSA-N 1 0 386.474 0.180 20 5 GCBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473917990 1195638505 /nfs/dbraw/zinc/63/85/05/1195638505.db2.gz IUSTZVKZPQGKMB-INIZCTEOSA-N 1 0 378.429 0.894 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000520535421 1195782098 /nfs/dbraw/zinc/78/20/98/1195782098.db2.gz HCCRPSNBZRZHGT-LLVKDONJSA-N 1 0 378.385 0.641 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000520893057 1195933429 /nfs/dbraw/zinc/93/34/29/1195933429.db2.gz QMDBUZFSNZBBBG-CYBMUJFWSA-N 1 0 396.469 0.864 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521295180 1195985466 /nfs/dbraw/zinc/98/54/66/1195985466.db2.gz XLTABCLQCUULGC-CQSZACIVSA-N 1 0 375.429 0.995 20 5 GCBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000521734127 1196012873 /nfs/dbraw/zinc/01/28/73/1196012873.db2.gz HTDLDSJWTRWBEJ-CYBMUJFWSA-N 1 0 399.473 0.514 20 5 GCBDRO COc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000443293125 1196036660 /nfs/dbraw/zinc/03/66/60/1196036660.db2.gz FCIXEDQIXOGLIQ-ZDUSSCGKSA-N 1 0 387.458 0.975 20 5 GCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C[NH+]1CCN(C)CC1 ZINC000522266119 1196069862 /nfs/dbraw/zinc/06/98/62/1196069862.db2.gz XKTDVEIPEBNRHF-CYBMUJFWSA-N 1 0 378.429 0.979 20 5 GCBDRO CC(C)(O)C[NH+]1CCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840002958 1196071512 /nfs/dbraw/zinc/07/15/12/1196071512.db2.gz JXJSAHAHNIIFPQ-KRWDZBQOSA-N 1 0 378.429 0.878 20 5 GCBDRO Cc1c(CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000550550851 1196083750 /nfs/dbraw/zinc/08/37/50/1196083750.db2.gz MDFPNLHAENLJRU-UHFFFAOYSA-N 1 0 391.472 0.662 20 5 GCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896572535 1196167744 /nfs/dbraw/zinc/16/77/44/1196167744.db2.gz QDKPGURVVYPUOL-KDOFPFPSSA-N 1 0 391.472 0.796 20 5 GCBDRO NC(=O)c1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000522649865 1196227417 /nfs/dbraw/zinc/22/74/17/1196227417.db2.gz FEFXDSVONOUCQY-UHFFFAOYSA-N 1 0 378.410 0.762 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000281053255 1196273363 /nfs/dbraw/zinc/27/33/63/1196273363.db2.gz KLESHVJYMXTXEP-UHFFFAOYSA-N 1 0 394.428 0.466 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000281661662 1196319429 /nfs/dbraw/zinc/31/94/29/1196319429.db2.gz KEBUMRPGUBONNJ-LBPRGKRZSA-N 1 0 380.401 0.769 20 5 GCBDRO COc1ccc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281764883 1196329826 /nfs/dbraw/zinc/32/98/26/1196329826.db2.gz ATYJUUWABLWJAU-UHFFFAOYSA-N 1 0 393.444 0.684 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000522848556 1196352403 /nfs/dbraw/zinc/35/24/03/1196352403.db2.gz LRCLAHDFVNVIOY-HNNXBMFYSA-N 1 0 395.508 0.971 20 5 GCBDRO COCCNC(=O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000025814968 1196384135 /nfs/dbraw/zinc/38/41/35/1196384135.db2.gz JRYUVQWZMLKDCY-INIZCTEOSA-N 1 0 381.429 0.809 20 5 GCBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)cc2n(C)c1=O ZINC000897218058 1196405906 /nfs/dbraw/zinc/40/59/06/1196405906.db2.gz AOQUMBDWSKMYFQ-STQMWFEESA-N 1 0 375.429 0.821 20 5 GCBDRO C[NH+](C)CCOCCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000444340052 1196406719 /nfs/dbraw/zinc/40/67/19/1196406719.db2.gz IRWVKKQSKXPLLM-UHFFFAOYSA-N 1 0 378.385 0.556 20 5 GCBDRO COc1cccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000444353104 1196417897 /nfs/dbraw/zinc/41/78/97/1196417897.db2.gz RCLVUHROZRELTM-UHFFFAOYSA-N 1 0 379.413 0.903 20 5 GCBDRO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000444558297 1196503914 /nfs/dbraw/zinc/50/39/14/1196503914.db2.gz XTNQAYKQBLGAGE-ZDUSSCGKSA-N 1 0 378.429 0.628 20 5 GCBDRO CC(C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523600364 1196536959 /nfs/dbraw/zinc/53/69/59/1196536959.db2.gz PIRCFBLNHGAOFF-UHFFFAOYSA-N 1 0 387.462 0.513 20 5 GCBDRO COC(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1 ZINC000524273884 1196585647 /nfs/dbraw/zinc/58/56/47/1196585647.db2.gz IAZVGAYKGVQOCP-GFCCVEGCSA-N 1 0 392.412 0.699 20 5 GCBDRO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000440929471 1196607785 /nfs/dbraw/zinc/60/77/85/1196607785.db2.gz QYTBRUPVAICFBS-MWLCHTKSSA-N 1 0 382.442 0.906 20 5 GCBDRO COc1ccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000524652044 1196613969 /nfs/dbraw/zinc/61/39/69/1196613969.db2.gz CPXZCPREJAATJA-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000446758275 1196668958 /nfs/dbraw/zinc/66/89/58/1196668958.db2.gz GYVVWVBKLSUGGD-INIZCTEOSA-N 1 0 387.458 0.904 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000525617081 1196695616 /nfs/dbraw/zinc/69/56/16/1196695616.db2.gz TVKXZCFKHXZVIN-CHWSQXEVSA-N 1 0 384.458 0.862 20 5 GCBDRO C[C@@H]1CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)[N@H+]1CCO ZINC000448557504 1196816092 /nfs/dbraw/zinc/81/60/92/1196816092.db2.gz UYRUCYQKLXBWTR-ZENOOKHLSA-N 1 0 376.413 0.614 20 5 GCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000449144843 1196857590 /nfs/dbraw/zinc/85/75/90/1196857590.db2.gz UXHJZYNCFBIRKT-UKPHBRMFSA-N 1 0 383.470 0.613 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449715906 1196894465 /nfs/dbraw/zinc/89/44/65/1196894465.db2.gz FJPSQOBDDZRQFH-LLVKDONJSA-N 1 0 398.363 0.659 20 5 GCBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000450795344 1196954498 /nfs/dbraw/zinc/95/44/98/1196954498.db2.gz OQBLSBWBHLWAGB-BETUJISGSA-N 1 0 386.474 0.736 20 5 GCBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000585725614 1196972938 /nfs/dbraw/zinc/97/29/38/1196972938.db2.gz YSEMJUVPZVLILR-UKRRQHHQSA-N 1 0 390.444 0.698 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCc2cnccn2)c([N+](=O)[O-])c1 ZINC000530482192 1196991525 /nfs/dbraw/zinc/99/15/25/1196991525.db2.gz UDPSRKIIIMROQA-UHFFFAOYSA-N 1 0 394.457 0.879 20 5 GCBDRO C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[N@H+]1CCO ZINC000451670999 1197006356 /nfs/dbraw/zinc/00/63/56/1197006356.db2.gz YEANMNRDFQZCFL-TXEJJXNPSA-N 1 0 380.401 0.649 20 5 GCBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000530768391 1197015000 /nfs/dbraw/zinc/01/50/00/1197015000.db2.gz AVTUCASSLRGAEP-CYBMUJFWSA-N 1 0 399.473 0.514 20 5 GCBDRO Cc1nn(C)c(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000530951716 1197032364 /nfs/dbraw/zinc/03/23/64/1197032364.db2.gz KJCHYWXXCADORJ-UHFFFAOYSA-N 1 0 394.476 0.993 20 5 GCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452346701 1197052737 /nfs/dbraw/zinc/05/27/37/1197052737.db2.gz HCQXGKLJWWQAGT-INIZCTEOSA-N 1 0 378.429 0.678 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452785942 1197081216 /nfs/dbraw/zinc/08/12/16/1197081216.db2.gz WANLRCXMTKFQCJ-CJNGLKHVSA-N 1 0 378.429 0.676 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452785881 1197081404 /nfs/dbraw/zinc/08/14/04/1197081404.db2.gz SPUCIIRIVZFLLT-MRXNPFEDSA-N 1 0 393.444 0.357 20 5 GCBDRO Cn1nnc2cc(C[NH2+]CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000532212401 1197126560 /nfs/dbraw/zinc/12/65/60/1197126560.db2.gz JISSVUXZWXEUKY-UHFFFAOYSA-N 1 0 390.425 0.945 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262821553 1197168330 /nfs/dbraw/zinc/16/83/30/1197168330.db2.gz XDDFCDGGZPRPJZ-NSHDSACASA-N 1 0 388.421 0.742 20 5 GCBDRO CC(C)(C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000103121717 1197263161 /nfs/dbraw/zinc/26/31/61/1197263161.db2.gz XDTPBMIKYMTHJG-UHFFFAOYSA-N 1 0 378.433 0.293 20 5 GCBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000269696046 1197269279 /nfs/dbraw/zinc/26/92/79/1197269279.db2.gz LBTJGCXZDVPAAF-HZPDHXFCSA-N 1 0 391.472 0.774 20 5 GCBDRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429742883 1197404633 /nfs/dbraw/zinc/40/46/33/1197404633.db2.gz JBWSLIWRPIOBSQ-HNNXBMFYSA-N 1 0 384.458 0.801 20 5 GCBDRO CCn1cc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])n1 ZINC000533174561 1197436208 /nfs/dbraw/zinc/43/62/08/1197436208.db2.gz RXFXNTAUOFFGIP-UHFFFAOYSA-N 1 0 389.478 0.979 20 5 GCBDRO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1CCO ZINC000614894872 1197484979 /nfs/dbraw/zinc/48/49/79/1197484979.db2.gz KWZJQUOQRFMMNO-UHFFFAOYSA-N 1 0 392.456 0.960 20 5 GCBDRO C[C@@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000121969408 1197526943 /nfs/dbraw/zinc/52/69/43/1197526943.db2.gz IVABXYJQVBIBQY-GJZGRUSLSA-N 1 0 391.472 0.713 20 5 GCBDRO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000121969202 1197528451 /nfs/dbraw/zinc/52/84/51/1197528451.db2.gz IVABXYJQVBIBQY-HUUCEWRRSA-N 1 0 391.472 0.713 20 5 GCBDRO C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000429753985 1197553972 /nfs/dbraw/zinc/55/39/72/1197553972.db2.gz TUFWLSCGVAXRJK-INIZCTEOSA-N 1 0 382.442 0.427 20 5 GCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428630322 1197558412 /nfs/dbraw/zinc/55/84/12/1197558412.db2.gz WWFIHJUKKIEZKY-CQSZACIVSA-N 1 0 376.413 0.644 20 5 GCBDRO Cn1c(Sc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000273468901 1199009905 /nfs/dbraw/zinc/00/99/05/1199009905.db2.gz JSABWKJKBALDIE-UHFFFAOYSA-N 1 0 398.470 0.989 20 5 GCBDRO CC[NH+]1CCN([C@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)CC1 ZINC000273523743 1199026651 /nfs/dbraw/zinc/02/66/51/1199026651.db2.gz XKBYROGSQWOUFR-ZDUSSCGKSA-N 1 0 383.474 0.458 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000542765203 1199031383 /nfs/dbraw/zinc/03/13/83/1199031383.db2.gz DWOOQBIQRYLQLY-NSHDSACASA-N 1 0 385.446 0.242 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000465736925 1199038904 /nfs/dbraw/zinc/03/89/04/1199038904.db2.gz LOJHGIBLAPUZQX-OLZOCXBDSA-N 1 0 399.473 0.655 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000554637743 1199057711 /nfs/dbraw/zinc/05/77/11/1199057711.db2.gz RSENEMMLGYFELG-ZDUSSCGKSA-N 1 0 386.474 0.908 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273707532 1199061586 /nfs/dbraw/zinc/06/15/86/1199061586.db2.gz PBCWFZJSHIDQOH-MRXNPFEDSA-N 1 0 396.469 0.663 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462645376 1199067776 /nfs/dbraw/zinc/06/77/76/1199067776.db2.gz UKTGNTOAXVBLSH-MRXNPFEDSA-N 1 0 382.442 0.475 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000488963962 1199174380 /nfs/dbraw/zinc/17/43/80/1199174380.db2.gz XIEAXNCPZHHULC-LLVKDONJSA-N 1 0 378.385 0.641 20 5 GCBDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC000114160132 1199374064 /nfs/dbraw/zinc/37/40/64/1199374064.db2.gz NSHSFDFIZYOJLO-HNNXBMFYSA-N 1 0 389.456 0.654 20 5 GCBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000427335924 1199631230 /nfs/dbraw/zinc/63/12/30/1199631230.db2.gz CJXUTVXASAXUOM-ZDUSSCGKSA-N 1 0 382.442 0.427 20 5 GCBDRO CNc1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000543295376 1199643113 /nfs/dbraw/zinc/64/31/13/1199643113.db2.gz DSJLRLKJQODQPQ-UHFFFAOYSA-N 1 0 378.429 0.936 20 5 GCBDRO C[NH+](C)CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000543387729 1199692485 /nfs/dbraw/zinc/69/24/85/1199692485.db2.gz DWKQQJNOVRVNAZ-LBPRGKRZSA-N 1 0 384.458 0.955 20 5 GCBDRO COc1c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000331078633 1199865745 /nfs/dbraw/zinc/86/57/45/1199865745.db2.gz WRZISBIGQPADAB-HNNXBMFYSA-N 1 0 376.413 0.982 20 5 GCBDRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000428976185 1199866993 /nfs/dbraw/zinc/86/69/93/1199866993.db2.gz IPDATIQFWDMQTJ-QWHCGFSZSA-N 1 0 384.458 0.768 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000428987022 1199873944 /nfs/dbraw/zinc/87/39/44/1199873944.db2.gz RVJGZPAPTONBRR-LLVKDONJSA-N 1 0 387.396 0.776 20 5 GCBDRO O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000125681289 1199892897 /nfs/dbraw/zinc/89/28/97/1199892897.db2.gz BHAWPPYUVXDASV-GFCCVEGCSA-N 1 0 381.458 0.282 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489828668 1199920794 /nfs/dbraw/zinc/92/07/94/1199920794.db2.gz PKPYRMDODUHNKX-DZGCQCFKSA-N 1 0 377.445 0.910 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000509129956 1199935230 /nfs/dbraw/zinc/93/52/30/1199935230.db2.gz OOFKEXAHTJDSNA-AWEZNQCLSA-N 1 0 381.481 0.581 20 5 GCBDRO C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000429160068 1199974283 /nfs/dbraw/zinc/97/42/83/1199974283.db2.gz GEJXYVZGUSJTHJ-WFASDCNBSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000429181160 1200054144 /nfs/dbraw/zinc/05/41/44/1200054144.db2.gz LNACRKOOXIKVHF-SWLSCSKDSA-N 1 0 384.458 0.801 20 5 GCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000282499495 1200088323 /nfs/dbraw/zinc/08/83/23/1200088323.db2.gz NBHWKVLQAPUAKU-LBPRGKRZSA-N 1 0 395.435 0.981 20 5 GCBDRO CNc1nccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000566019011 1200738283 /nfs/dbraw/zinc/73/82/83/1200738283.db2.gz VXZZAAZFAPJIQL-CQSZACIVSA-N 1 0 376.461 1.272 20 5 GCBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000429466740 1201133303 /nfs/dbraw/zinc/13/33/03/1201133303.db2.gz NCUNUELKNPMLHQ-NSHDSACASA-N 1 0 385.446 0.112 20 5 GCBDRO CN(C[C@H](O)C1CC1)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611203622 1201223430 /nfs/dbraw/zinc/22/34/30/1201223430.db2.gz BDXZMFDLYMOETB-INIZCTEOSA-N 1 0 386.474 0.642 20 5 GCBDRO CC(C)(CO)[NH+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611515626 1201243301 /nfs/dbraw/zinc/24/33/01/1201243301.db2.gz HNFYZNMZLKOLOZ-UHFFFAOYSA-N 1 0 393.444 0.309 20 5 GCBDRO CC(C)(CO)[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000611515964 1201243390 /nfs/dbraw/zinc/24/33/90/1201243390.db2.gz UJEUYDHHOXGUJW-UHFFFAOYSA-N 1 0 390.396 0.106 20 5 GCBDRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732204518 1201528524 /nfs/dbraw/zinc/52/85/24/1201528524.db2.gz LSTYSGIHZOMUEL-UHFFFAOYSA-N 1 0 378.429 0.375 20 5 GCBDRO C[N@@H+]1CCC[C@H](N2CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1 ZINC000738214174 1201735581 /nfs/dbraw/zinc/73/55/81/1201735581.db2.gz OJXYZBJZVGAGMD-AWEZNQCLSA-N 1 0 387.440 0.860 20 5 GCBDRO [NH3+]CCCCCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000746286244 1201905145 /nfs/dbraw/zinc/90/51/45/1201905145.db2.gz RVJRERANBPXDQK-UHFFFAOYSA-N 1 0 384.458 0.947 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(N(CC[NH3+])c2cccnc2)cc1[N+](=O)[O-] ZINC001168835070 1201927372 /nfs/dbraw/zinc/92/73/72/1201927372.db2.gz ZUPQABAVRUVABQ-UHFFFAOYSA-N 1 0 389.368 0.911 20 5 GCBDRO COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168977151 1201929464 /nfs/dbraw/zinc/92/94/64/1201929464.db2.gz IHLQMLITZLLFDA-DVOMOZLQSA-N 1 0 381.429 0.888 20 5 GCBDRO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169028471 1201930199 /nfs/dbraw/zinc/93/01/99/1201930199.db2.gz SDYSQFIMCVOEKX-ZBFHGGJFSA-N 1 0 376.457 0.783 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001169040631 1201930791 /nfs/dbraw/zinc/93/07/91/1201930791.db2.gz IHNSDTNQTMKSHU-ZDUSSCGKSA-N 1 0 382.465 0.742 20 5 GCBDRO CCS(=O)(=O)N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001169018655 1201931128 /nfs/dbraw/zinc/93/11/28/1201931128.db2.gz BLHBPAGXDDESEK-RBZJEDDUSA-N 1 0 375.491 0.851 20 5 GCBDRO 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 ZINC001169020098 1201931174 /nfs/dbraw/zinc/93/11/74/1201931174.db2.gz IDSMBNPXNIDFON-HNWLLIRGSA-N 1 0 375.429 0.884 20 5 GCBDRO 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 ZINC001169026511 1201931435 /nfs/dbraw/zinc/93/14/35/1201931435.db2.gz XZPFBLKNKORCDO-QRIFCXAISA-N 1 0 391.472 0.932 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(-n2cncc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001169076415 1201931521 /nfs/dbraw/zinc/93/15/21/1201931521.db2.gz SFBKQTFDQWXTAW-SNVBAGLBSA-N 1 0 392.368 0.072 20 5 GCBDRO Cc1cc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000771762343 1202161487 /nfs/dbraw/zinc/16/14/87/1202161487.db2.gz NTGZUDIHBUJZIB-UHFFFAOYSA-N 1 0 393.437 0.604 20 5 GCBDRO C[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648573 1205426429 /nfs/dbraw/zinc/42/64/29/1205426429.db2.gz ZBPHUBDRVUODFF-ZFWWWQNUSA-N 1 0 377.445 0.761 20 5 GCBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648568 1205426631 /nfs/dbraw/zinc/42/66/31/1205426631.db2.gz ZBPHUBDRVUODFF-HIFRSBDPSA-N 1 0 377.445 0.761 20 5 GCBDRO C[C@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCCCC1 ZINC000793708160 1205504486 /nfs/dbraw/zinc/50/44/86/1205504486.db2.gz LFXAMMHLIYVZSM-CQSZACIVSA-N 1 0 392.460 0.945 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(NCCOCCOCC[NH3+])ccc1[N+](=O)[O-] ZINC001170513298 1205568463 /nfs/dbraw/zinc/56/84/63/1205568463.db2.gz HCWYBZGYPJGZEM-UHFFFAOYSA-N 1 0 399.400 0.428 20 5 GCBDRO CCO[C@@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001133349209 1205665811 /nfs/dbraw/zinc/66/58/11/1205665811.db2.gz WYIAEIIVNNVPAL-ZDUSSCGKSA-N 1 0 392.412 0.945 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(Nc2nccnc2C[NH3+])cc1[N+](=O)[O-] ZINC001171450640 1205707590 /nfs/dbraw/zinc/70/75/90/1205707590.db2.gz WPVRLSQHFINPEL-UHFFFAOYSA-N 1 0 376.329 0.412 20 5 GCBDRO C[N@H+](CCCN1CCCC1=O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171502103 1205708331 /nfs/dbraw/zinc/70/83/31/1205708331.db2.gz QVDXJYUYTRVMOK-UHFFFAOYSA-N 1 0 384.458 0.817 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCS(=O)(=O)CC2)c1F ZINC001173185476 1205718895 /nfs/dbraw/zinc/71/88/95/1205718895.db2.gz ZJCQBIMVGFPUDF-LBPRGKRZSA-N 1 0 389.449 0.994 20 5 GCBDRO [NH3+]CCc1ncn(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC001173692947 1205726465 /nfs/dbraw/zinc/72/64/65/1205726465.db2.gz VLTQIMSJULAPFS-UHFFFAOYSA-N 1 0 380.430 0.713 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@H](CO)[C@@H]2CCOC2)CC1 ZINC001173698184 1205726549 /nfs/dbraw/zinc/72/65/49/1205726549.db2.gz VTDDZRCXZHSQRU-UKRRQHHQSA-N 1 0 399.469 0.735 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC001173695811 1205726600 /nfs/dbraw/zinc/72/66/00/1205726600.db2.gz IEAVKKVOEMGAKE-XJKSGUPXSA-N 1 0 399.469 0.423 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@@H](CO)[C@H]2CCOC2)CC1 ZINC001173698187 1205726619 /nfs/dbraw/zinc/72/66/19/1205726619.db2.gz VTDDZRCXZHSQRU-ZFWWWQNUSA-N 1 0 399.469 0.735 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001173695321 1205726704 /nfs/dbraw/zinc/72/67/04/1205726704.db2.gz CHJXBFXTFVYYIY-SWLSCSKDSA-N 1 0 385.442 0.033 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC001173695810 1205726801 /nfs/dbraw/zinc/72/68/01/1205726801.db2.gz IEAVKKVOEMGAKE-CZUORRHYSA-N 1 0 399.469 0.423 20 5 GCBDRO C[NH+](C)C1CC(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000773485173 1205736688 /nfs/dbraw/zinc/73/66/88/1205736688.db2.gz AALUXOREAYBODZ-UHFFFAOYSA-N 1 0 385.446 0.253 20 5 GCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008633 1205799368 /nfs/dbraw/zinc/79/93/68/1205799368.db2.gz OTYYJVXTEISUJL-YPMHNXCESA-N 1 0 378.385 0.382 20 5 GCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008632 1205799478 /nfs/dbraw/zinc/79/94/78/1205799478.db2.gz OTYYJVXTEISUJL-WCQYABFASA-N 1 0 378.385 0.382 20 5 GCBDRO O=C(NCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052604 1205817547 /nfs/dbraw/zinc/81/75/47/1205817547.db2.gz BWVQQOZAYHDSCW-HZPDHXFCSA-N 1 0 391.428 0.774 20 5 GCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)N2CCOCC2)n1 ZINC000774240277 1205865954 /nfs/dbraw/zinc/86/59/54/1205865954.db2.gz WVQNTCXBWGGIHB-UONOGXRCSA-N 1 0 387.462 0.527 20 5 GCBDRO CCOC(=O)N1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H](CO)C1 ZINC001184227823 1205906692 /nfs/dbraw/zinc/90/66/92/1205906692.db2.gz GDFBBDVRXSMHCQ-CJNGLKHVSA-N 1 0 393.444 0.997 20 5 GCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001187438728 1205962896 /nfs/dbraw/zinc/96/28/96/1205962896.db2.gz ZHSIILNSEFCVKI-CYBMUJFWSA-N 1 0 378.433 0.297 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@@H]2C1 ZINC001164852535 720837304 /nfs/dbraw/zinc/83/73/04/720837304.db2.gz KKZHYSQBCXPKOH-CJNGLKHVSA-N 1 0 394.428 0.950 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@H]2C1 ZINC001164852534 720837481 /nfs/dbraw/zinc/83/74/81/720837481.db2.gz KKZHYSQBCXPKOH-BBRMVZONSA-N 1 0 394.428 0.950 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164851952 720855419 /nfs/dbraw/zinc/85/54/19/720855419.db2.gz BGAIWZQGRBQQKR-ZIAGYGMSSA-N 1 0 381.433 0.875 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164851948 720855594 /nfs/dbraw/zinc/85/55/94/720855594.db2.gz BGAIWZQGRBQQKR-KGLIPLIRSA-N 1 0 381.433 0.875 20 5 GCBDRO COc1ncnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001164750990 720954465 /nfs/dbraw/zinc/95/44/65/720954465.db2.gz OZNNPEIGLKKCIC-UHFFFAOYSA-N 1 0 391.388 0.236 20 5 GCBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892837 721382712 /nfs/dbraw/zinc/38/27/12/721382712.db2.gz TVFPNKRSNMOVOP-PKOBYXMFSA-N 1 0 391.472 0.994 20 5 GCBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc([N+](=O)[O-])cc[n+]1[O-])CCC2 ZINC001164999763 722250724 /nfs/dbraw/zinc/25/07/24/722250724.db2.gz BODKQWDLSOQFBF-UHFFFAOYSA-N 1 0 376.417 0.913 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261682180 530191510 /nfs/dbraw/zinc/19/15/10/530191510.db2.gz MUCWJSQBSBCNPS-SNVBAGLBSA-N 1 0 390.849 0.724 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000614551107 530309670 /nfs/dbraw/zinc/30/96/70/530309670.db2.gz YRVNLKDTRYBEKV-NOZJJQNGSA-N 1 0 377.394 0.740 20 5 GCBDRO CCS(=O)(=O)N1CC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516052023 530310340 /nfs/dbraw/zinc/31/03/40/530310340.db2.gz OBXDHCDSSNYMCP-UHFFFAOYSA-N 1 0 391.471 0.240 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000161518571 530315211 /nfs/dbraw/zinc/31/52/11/530315211.db2.gz KKBHXCWFOIXUTH-LBPRGKRZSA-N 1 0 396.263 0.948 20 5 GCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899346 530350422 /nfs/dbraw/zinc/35/04/22/530350422.db2.gz UHOZNIOVFCZGQG-DGCLKSJQSA-N 1 0 397.229 0.670 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000423732626 530888146 /nfs/dbraw/zinc/88/81/46/530888146.db2.gz AUMFNMBKGVEOAI-SNVBAGLBSA-N 1 0 384.336 0.269 20 5 GCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000372227455 530891870 /nfs/dbraw/zinc/89/18/70/530891870.db2.gz MIIMXCZHHPNYHO-VIFPVBQESA-N 1 0 380.220 0.706 20 5 GCBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602550479 530934252 /nfs/dbraw/zinc/93/42/52/530934252.db2.gz JDGQOMJMAGZDOQ-SNVBAGLBSA-N 1 0 391.165 0.918 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000271684607 530924386 /nfs/dbraw/zinc/92/43/86/530924386.db2.gz JECMJGWWRVEEHD-NSHDSACASA-N 1 0 377.444 0.040 20 5 GCBDRO CSCC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262699240 531052172 /nfs/dbraw/zinc/05/21/72/531052172.db2.gz GIDAZTGQVZRACT-JTQLQIEISA-N 1 0 376.460 0.070 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737114065 598530772 /nfs/dbraw/zinc/53/07/72/598530772.db2.gz CECSOQSJSRECRA-JTQLQIEISA-N 1 0 385.388 0.812 20 5 GCBDRO C[C@@H](O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820479739 599522762 /nfs/dbraw/zinc/52/27/62/599522762.db2.gz BPLPDRGEYVDRFV-LLVKDONJSA-N 1 0 384.400 0.826 20 5 GCBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+](CCO)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645985 599529638 /nfs/dbraw/zinc/52/96/38/599529638.db2.gz YZKRNKFNLVZVLM-UHFFFAOYSA-N 1 0 384.400 0.828 20 5 GCBDRO Cn1c(Sc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000822604867 606711045 /nfs/dbraw/zinc/71/10/45/606711045.db2.gz NRVLJSOAJNOBBS-UHFFFAOYSA-N 1 0 388.417 0.917 20 5 GCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000821628315 606727452 /nfs/dbraw/zinc/72/74/52/606727452.db2.gz FXRLWRRRCSMRLI-LSDHHAIUSA-N 1 0 382.384 0.842 20 5 GCBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821621874 607126195 /nfs/dbraw/zinc/12/61/95/607126195.db2.gz JRROAZVEMSBPRU-SECBINFHSA-N 1 0 388.417 0.864 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000826390278 607838595 /nfs/dbraw/zinc/83/85/95/607838595.db2.gz VVBVUZRJWKWBLY-AWEZNQCLSA-N 1 0 386.416 0.693 20 5 GCBDRO CC[S@@](=O)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000735075466 640010720 /nfs/dbraw/zinc/01/07/20/640010720.db2.gz IULSJYBJLJRGNA-XMMPIXPASA-N 1 0 392.503 0.615 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768863449 640763585 /nfs/dbraw/zinc/76/35/85/640763585.db2.gz VYTUIIZMLORANO-LBPRGKRZSA-N 1 0 388.471 0.583 20 5 GCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)c1 ZINC000819033938 641926476 /nfs/dbraw/zinc/92/64/76/641926476.db2.gz KFMHXGDSSIRFQL-CQSZACIVSA-N 1 0 375.472 0.596 20 5 GCBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842483916 642338231 /nfs/dbraw/zinc/33/82/31/642338231.db2.gz WYMKMUMETXDYNS-SECBINFHSA-N 1 0 380.220 0.624 20 5 GCBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000858632615 642963643 /nfs/dbraw/zinc/96/36/43/642963643.db2.gz HBTRXIOZUXBZAY-UHFFFAOYSA-N 1 0 376.391 0.764 20 5 GCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000858633870 642964296 /nfs/dbraw/zinc/96/42/96/642964296.db2.gz FARSYKUOFARFFQ-UHFFFAOYSA-N 1 0 382.236 0.953 20 5 GCBDRO Cn1cc(CCNc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])cn1 ZINC000112075010 1192182689 /nfs/dbraw/zinc/18/26/89/1192182689.db2.gz QXCVUOQKUZQAEI-UHFFFAOYSA-N 1 0 396.473 0.823 20 5 GCBDRO C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049278487 1192213855 /nfs/dbraw/zinc/21/38/55/1192213855.db2.gz GZYVUKGYXDVRAF-UHFFFAOYSA-N 1 0 383.836 0.940 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718772 1192396827 /nfs/dbraw/zinc/39/68/27/1192396827.db2.gz XMHZTODFECCOFE-ZWKOTPCHSA-N 1 0 376.413 0.806 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)c1 ZINC000585718769 1192397347 /nfs/dbraw/zinc/39/73/47/1192397347.db2.gz XMHZTODFECCOFE-MSOLQXFVSA-N 1 0 376.413 0.806 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000278986716 1192427990 /nfs/dbraw/zinc/42/79/90/1192427990.db2.gz ATVNFTHDCKLQEZ-KRWDZBQOSA-N 1 0 375.385 0.906 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279004943 1192435739 /nfs/dbraw/zinc/43/57/39/1192435739.db2.gz DJADNTDFDGJZDW-QGZVFWFLSA-N 1 0 391.384 0.606 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279004942 1192436040 /nfs/dbraw/zinc/43/60/40/1192436040.db2.gz DJADNTDFDGJZDW-KRWDZBQOSA-N 1 0 391.384 0.606 20 5 GCBDRO C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000512133064 1192466553 /nfs/dbraw/zinc/46/65/53/1192466553.db2.gz XPEFYLVCKGJUQJ-NEPJUHHUSA-N 1 0 399.473 0.595 20 5 GCBDRO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000512142036 1192472452 /nfs/dbraw/zinc/47/24/52/1192472452.db2.gz GJHXVXSGJZJWBC-CYBMUJFWSA-N 1 0 396.469 0.982 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000432542357 1192548059 /nfs/dbraw/zinc/54/80/59/1192548059.db2.gz OKVGGUIWATWGTP-UHFFFAOYSA-N 1 0 380.445 0.723 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000512266187 1192590953 /nfs/dbraw/zinc/59/09/53/1192590953.db2.gz DMXUDMQCOVYEKA-GFCCVEGCSA-N 1 0 386.430 0.685 20 5 GCBDRO C[NH+](C)CCOc1cc(NCCNC(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC001167892461 1192595617 /nfs/dbraw/zinc/59/56/17/1192595617.db2.gz UGBPCZPBMBPRRI-UHFFFAOYSA-N 1 0 381.433 0.989 20 5 GCBDRO C[NH+](C)CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000279863587 1192611903 /nfs/dbraw/zinc/61/19/03/1192611903.db2.gz SSMNLYPHADAHRW-CQSZACIVSA-N 1 0 399.469 0.941 20 5 GCBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000418704147 1192632652 /nfs/dbraw/zinc/63/26/52/1192632652.db2.gz CLCJSOZNNULALR-CYBMUJFWSA-N 1 0 399.473 0.656 20 5 GCBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418706097 1192634390 /nfs/dbraw/zinc/63/43/90/1192634390.db2.gz FBZSBBJHLHWPPE-LBPRGKRZSA-N 1 0 399.473 0.567 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418756587 1192640314 /nfs/dbraw/zinc/64/03/14/1192640314.db2.gz CXMHUQOLAQWXHI-HNNXBMFYSA-N 1 0 377.401 0.051 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418761264 1192641555 /nfs/dbraw/zinc/64/15/55/1192641555.db2.gz LEUJLRQSQWPXNX-LBPRGKRZSA-N 1 0 396.473 0.027 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418920781 1192691797 /nfs/dbraw/zinc/69/17/97/1192691797.db2.gz BVRHNLSHTYOYDK-TUKIKUTGSA-N 1 0 376.413 0.805 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000418957493 1192699906 /nfs/dbraw/zinc/69/99/06/1192699906.db2.gz ZVQNHYMFBBXYQE-MELADBBJSA-N 1 0 376.413 0.805 20 5 GCBDRO COc1cccc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000584838227 1192705515 /nfs/dbraw/zinc/70/55/15/1192705515.db2.gz JHPMSZOTQSMXMC-ZDUSSCGKSA-N 1 0 376.413 0.887 20 5 GCBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000291972864 1192720964 /nfs/dbraw/zinc/72/09/64/1192720964.db2.gz XWMIPORJPPTDHW-CQSZACIVSA-N 1 0 396.469 0.960 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000419026457 1192727171 /nfs/dbraw/zinc/72/71/71/1192727171.db2.gz OUGOSJHEWQQYBJ-QWHCGFSZSA-N 1 0 394.428 0.657 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000419028710 1192729831 /nfs/dbraw/zinc/72/98/31/1192729831.db2.gz RKPPQZDLOUNOPK-RYUDHWBXSA-N 1 0 394.428 0.480 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000419030836 1192732658 /nfs/dbraw/zinc/73/26/58/1192732658.db2.gz UGCNOHLKAFTTOE-AAEUAGOBSA-N 1 0 394.428 0.466 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000419032607 1192732969 /nfs/dbraw/zinc/73/29/69/1192732969.db2.gz WITFVBQPOBYBAH-NEPJUHHUSA-N 1 0 394.428 0.466 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCN1CCOCC1 ZINC000512564921 1192904998 /nfs/dbraw/zinc/90/49/98/1192904998.db2.gz MLHWECWXMQKSCN-UHFFFAOYSA-N 1 0 378.385 0.159 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000274496421 1184077567 /nfs/dbraw/zinc/07/75/67/1184077567.db2.gz IJKUZYQYXWROBU-ZDUSSCGKSA-N 1 0 393.444 0.684 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000610209722 1184279851 /nfs/dbraw/zinc/27/98/51/1184279851.db2.gz XYFHJBQWRADENG-QWHCGFSZSA-N 1 0 384.458 0.814 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000610209721 1184280154 /nfs/dbraw/zinc/28/01/54/1184280154.db2.gz XYFHJBQWRADENG-OLZOCXBDSA-N 1 0 384.458 0.814 20 5 GCBDRO O=C(C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCNC1=O ZINC000274804700 1184339511 /nfs/dbraw/zinc/33/95/11/1184339511.db2.gz GHZZZUWUMILBHV-UHFFFAOYSA-N 1 0 387.400 0.535 20 5 GCBDRO CCN(C)C(=O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000274806261 1184346286 /nfs/dbraw/zinc/34/62/86/1184346286.db2.gz WVRILOGDMVCBOD-UHFFFAOYSA-N 1 0 387.462 0.325 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274941849 1184437214 /nfs/dbraw/zinc/43/72/14/1184437214.db2.gz FHAZTLSCYYHJQH-OAHLLOKOSA-N 1 0 375.433 0.960 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000275073157 1184493024 /nfs/dbraw/zinc/49/30/24/1184493024.db2.gz LBLOGDZFRPWAHF-LLVKDONJSA-N 1 0 390.437 0.657 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000275086937 1184503050 /nfs/dbraw/zinc/50/30/50/1184503050.db2.gz PLDNMSQEMZUILK-NSHDSACASA-N 1 0 390.437 0.657 20 5 GCBDRO C[N@H+](CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C1CC1 ZINC000275267977 1184571435 /nfs/dbraw/zinc/57/14/35/1184571435.db2.gz PVRDWHDOWVGDRY-UHFFFAOYSA-N 1 0 384.414 0.924 20 5 GCBDRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610367360 1185029608 /nfs/dbraw/zinc/02/96/08/1185029608.db2.gz CRVUUFXBAOEGIR-GFCCVEGCSA-N 1 0 379.339 0.543 20 5 GCBDRO C[C@@H](C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000580090283 1185056742 /nfs/dbraw/zinc/05/67/42/1185056742.db2.gz QJKYBVMJJXBWIQ-LBPRGKRZSA-N 1 0 384.458 0.867 20 5 GCBDRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579456135 1185060743 /nfs/dbraw/zinc/06/07/43/1185060743.db2.gz AIZRQJJLTGEULV-UHFFFAOYSA-N 1 0 392.460 0.487 20 5 GCBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580307619 1185148786 /nfs/dbraw/zinc/14/87/86/1185148786.db2.gz YIXCSTQWBFPDQE-WFASDCNBSA-N 1 0 382.442 0.426 20 5 GCBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426860 1185169104 /nfs/dbraw/zinc/16/91/04/1185169104.db2.gz GOMRHNSEGUVSIU-LBPRGKRZSA-N 1 0 382.442 0.765 20 5 GCBDRO Nc1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000275849812 1185183771 /nfs/dbraw/zinc/18/37/71/1185183771.db2.gz XBDQPAVVZHRYJX-UHFFFAOYSA-N 1 0 391.409 0.719 20 5 GCBDRO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261639895 1185219736 /nfs/dbraw/zinc/21/97/36/1185219736.db2.gz DGMSGFMJLPZWQV-CHWSQXEVSA-N 1 0 384.458 0.720 20 5 GCBDRO Cc1c(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261661635 1185227100 /nfs/dbraw/zinc/22/71/00/1185227100.db2.gz CBKYHRVDRVNXAP-UHFFFAOYSA-N 1 0 382.442 0.766 20 5 GCBDRO CCCc1n[nH]c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1[N+](=O)[O-] ZINC000261681326 1185232763 /nfs/dbraw/zinc/23/27/63/1185232763.db2.gz APALBKWEQNZDDU-JTQLQIEISA-N 1 0 378.355 0.836 20 5 GCBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261744495 1185248651 /nfs/dbraw/zinc/24/86/51/1185248651.db2.gz LAXCHYAQXGFMJO-CYBMUJFWSA-N 1 0 388.384 0.642 20 5 GCBDRO COCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC[NH2+]CC1 ZINC000261796438 1185259351 /nfs/dbraw/zinc/25/93/51/1185259351.db2.gz VBBKHSOJFYEDBZ-ZDUSSCGKSA-N 1 0 394.428 0.925 20 5 GCBDRO CN(CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000261791489 1185259402 /nfs/dbraw/zinc/25/94/02/1185259402.db2.gz GNUYHSPGQIXRBH-AWEZNQCLSA-N 1 0 389.378 0.983 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261862136 1185278516 /nfs/dbraw/zinc/27/85/16/1185278516.db2.gz RLTKCRUSBNODKG-NEPJUHHUSA-N 1 0 399.473 0.630 20 5 GCBDRO [NH3+][C@H](CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261883780 1185280533 /nfs/dbraw/zinc/28/05/33/1185280533.db2.gz AVGKCHRHBUFZIT-HZPDHXFCSA-N 1 0 396.469 0.992 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261894482 1185281807 /nfs/dbraw/zinc/28/18/07/1185281807.db2.gz QYIPHYQFONEGGC-GJZGRUSLSA-N 1 0 392.460 0.597 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261913716 1185286039 /nfs/dbraw/zinc/28/60/39/1185286039.db2.gz XVDXITLOCVISDY-UHFFFAOYSA-N 1 0 396.469 0.865 20 5 GCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000261989083 1185299104 /nfs/dbraw/zinc/29/91/04/1185299104.db2.gz CQFTZEVGKWDTQC-AWEZNQCLSA-N 1 0 397.457 0.040 20 5 GCBDRO O=C(NCC1C[NH2+]C1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262008185 1185304023 /nfs/dbraw/zinc/30/40/23/1185304023.db2.gz ITGYHYZOOKHHDM-OAHLLOKOSA-N 1 0 382.442 0.474 20 5 GCBDRO O=C(NCC(=O)N1CC[NH2+]CC1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000579815640 1185319652 /nfs/dbraw/zinc/31/96/52/1185319652.db2.gz SEGYJMIHXCRIGE-UHFFFAOYSA-N 1 0 389.334 0.845 20 5 GCBDRO C[NH2+][C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)c1cnn(C)c1 ZINC000262232088 1185537269 /nfs/dbraw/zinc/53/72/69/1185537269.db2.gz QOBYCQWRYMEURB-CQSZACIVSA-N 1 0 392.441 0.635 20 5 GCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000276286077 1185719802 /nfs/dbraw/zinc/71/98/02/1185719802.db2.gz YSISXBDJKPPMSP-GFCCVEGCSA-N 1 0 387.414 0.333 20 5 GCBDRO C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1C[NH2+]C1 ZINC000262274014 1185726867 /nfs/dbraw/zinc/72/68/67/1185726867.db2.gz WFKYDNJYNLASAR-LBPRGKRZSA-N 1 0 382.442 0.283 20 5 GCBDRO COC[C@@]1(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]1 ZINC000262339724 1185774194 /nfs/dbraw/zinc/77/41/94/1185774194.db2.gz SPYFSPCZWPHYRK-HNNXBMFYSA-N 1 0 387.414 0.413 20 5 GCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262331595 1185774345 /nfs/dbraw/zinc/77/43/45/1185774345.db2.gz GTDHNWZODWPEPK-WBMJQRKESA-N 1 0 375.429 0.897 20 5 GCBDRO C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCC[NH2+]1 ZINC000510447154 1185824441 /nfs/dbraw/zinc/82/44/41/1185824441.db2.gz VHWYJMYZSOMRHU-QGZVFWFLSA-N 1 0 396.469 0.960 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CCN(C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000610784958 1186185297 /nfs/dbraw/zinc/18/52/97/1186185297.db2.gz MNWWJQHNCUOVBC-UHFFFAOYSA-N 1 0 386.474 0.738 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262507152 1186302470 /nfs/dbraw/zinc/30/24/70/1186302470.db2.gz JFIYRMDJIYESKE-SUMWQHHRSA-N 1 0 396.469 0.769 20 5 GCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000563142266 1186302894 /nfs/dbraw/zinc/30/28/94/1186302894.db2.gz KJIQWTZLGNOLAT-GHMZBOCLSA-N 1 0 397.457 0.183 20 5 GCBDRO C[C@H](O)CN1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C[C@@H]1C ZINC000563153139 1186312566 /nfs/dbraw/zinc/31/25/66/1186312566.db2.gz IWOQRQACBYMLDA-KBPBESRZSA-N 1 0 390.440 0.393 20 5 GCBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263033172 1186339826 /nfs/dbraw/zinc/33/98/26/1186339826.db2.gz SBAKWGRZJYVXPM-GOEBONIOSA-N 1 0 384.458 0.897 20 5 GCBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263033176 1186339894 /nfs/dbraw/zinc/33/98/94/1186339894.db2.gz SBAKWGRZJYVXPM-HOCLYGCPSA-N 1 0 384.458 0.897 20 5 GCBDRO CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1ncc([N+](=O)[O-])cn1 ZINC001167524977 1186370454 /nfs/dbraw/zinc/37/04/54/1186370454.db2.gz YBLKUFLXXMDFMO-UHFFFAOYSA-N 1 0 390.425 0.879 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)NCCCN2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000611844662 1186657960 /nfs/dbraw/zinc/65/79/60/1186657960.db2.gz PWPMGFDKUSJPOK-UHFFFAOYSA-N 1 0 391.472 0.777 20 5 GCBDRO C[NH+](C)CCCN1C(=O)C[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000582772550 1186665124 /nfs/dbraw/zinc/66/51/24/1186665124.db2.gz GUMQWYZIMFVOII-HNNXBMFYSA-N 1 0 390.444 0.191 20 5 GCBDRO NS(=O)(=O)c1cccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000612654798 1186731836 /nfs/dbraw/zinc/73/18/36/1186731836.db2.gz XQUDQGHYFIDWLR-CYBMUJFWSA-N 1 0 384.458 0.933 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000583118439 1186774646 /nfs/dbraw/zinc/77/46/46/1186774646.db2.gz MWUCVHUXBQKVEG-QRQLOZEOSA-N 1 0 389.456 0.625 20 5 GCBDRO COCCO[C@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572954125 1186821434 /nfs/dbraw/zinc/82/14/34/1186821434.db2.gz DTVYOAQHNSFXSV-CVEARBPZSA-N 1 0 388.442 0.779 20 5 GCBDRO COCCO[C@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572954126 1186821591 /nfs/dbraw/zinc/82/15/91/1186821591.db2.gz DTVYOAQHNSFXSV-HOTGVXAUSA-N 1 0 388.442 0.779 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC000728568277 1186863330 /nfs/dbraw/zinc/86/33/30/1186863330.db2.gz YZJMZAGFFCGHNI-AWEZNQCLSA-N 1 0 399.473 0.515 20 5 GCBDRO O=C(Cn1cccc([N+](=O)[O-])c1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000161704420 1186864663 /nfs/dbraw/zinc/86/46/63/1186864663.db2.gz QRKUWSWARSIYCZ-UHFFFAOYSA-N 1 0 378.429 0.908 20 5 GCBDRO CCC[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000572995734 1186936297 /nfs/dbraw/zinc/93/62/97/1186936297.db2.gz QQOAAPDDIUKIHI-CYBMUJFWSA-N 1 0 384.458 0.816 20 5 GCBDRO NC(=O)c1ccc(SCC(=O)N[C@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000583774520 1186936755 /nfs/dbraw/zinc/93/67/55/1186936755.db2.gz VFUCAPGBESOXSQ-ZDUSSCGKSA-N 1 0 396.469 0.749 20 5 GCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000584341158 1187036443 /nfs/dbraw/zinc/03/64/43/1187036443.db2.gz AZCNIOOZBDEJQH-BFHYXJOUSA-N 1 0 376.413 0.594 20 5 GCBDRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365125462 1187486728 /nfs/dbraw/zinc/48/67/28/1187486728.db2.gz QHFHMZUJAPRPQG-STQMWFEESA-N 1 0 378.433 0.541 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000065974630 1187520049 /nfs/dbraw/zinc/52/00/49/1187520049.db2.gz JAGXOZUKZKITLE-UHFFFAOYSA-N 1 0 398.485 0.982 20 5 GCBDRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065974646 1187520227 /nfs/dbraw/zinc/52/02/27/1187520227.db2.gz WEJLQJYYCBXYTD-UHFFFAOYSA-N 1 0 398.485 0.814 20 5 GCBDRO Cc1c(C(=O)NCC[N@H+]2CC=C(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000613033290 1187644893 /nfs/dbraw/zinc/64/48/93/1187644893.db2.gz MRMWPUCPRZEPLB-UHFFFAOYSA-N 1 0 382.442 0.932 20 5 GCBDRO CCc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)ncn1 ZINC000580185666 1187675333 /nfs/dbraw/zinc/67/53/33/1187675333.db2.gz QXCHSKAHZJEOBZ-ZBFHGGJFSA-N 1 0 375.433 0.763 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000580197576 1187675360 /nfs/dbraw/zinc/67/53/60/1187675360.db2.gz WHKVAWCXOJBLBE-DAXOMENPSA-N 1 0 396.469 0.849 20 5 GCBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CNc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000580236929 1187676272 /nfs/dbraw/zinc/67/62/72/1187676272.db2.gz SZDHNXSMLPRTDM-MRXNPFEDSA-N 1 0 375.429 0.818 20 5 GCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658582 1187695039 /nfs/dbraw/zinc/69/50/39/1187695039.db2.gz HVEDVTDBVPPMQO-HUUCEWRRSA-N 1 0 375.429 0.175 20 5 GCBDRO CNc1c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000613234198 1187703285 /nfs/dbraw/zinc/70/32/85/1187703285.db2.gz UGDFFJXNPUCTDJ-AWEZNQCLSA-N 1 0 377.445 0.773 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000581725336 1187718195 /nfs/dbraw/zinc/71/81/95/1187718195.db2.gz IJDSAWTXFYXLOK-NEPJUHHUSA-N 1 0 382.442 0.756 20 5 GCBDRO COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1C ZINC000582692830 1187782189 /nfs/dbraw/zinc/78/21/89/1187782189.db2.gz KMLSCHNCRWDGRA-UHFFFAOYSA-N 1 0 396.425 0.788 20 5 GCBDRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000414296225 1187813014 /nfs/dbraw/zinc/81/30/14/1187813014.db2.gz GGTJDVZPAXODDN-UHFFFAOYSA-N 1 0 382.446 0.462 20 5 GCBDRO COC(=O)COc1ccc(CN2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000414483287 1187978534 /nfs/dbraw/zinc/97/85/34/1187978534.db2.gz FDALVFLUMVWYGW-AWEZNQCLSA-N 1 0 395.412 0.683 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000415531800 1188099038 /nfs/dbraw/zinc/09/90/38/1188099038.db2.gz VIWLXBIAMLJHNW-GHMZBOCLSA-N 1 0 378.385 0.890 20 5 GCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415715714 1188147909 /nfs/dbraw/zinc/14/79/09/1188147909.db2.gz VOCNJKQQQMNTBI-LBPRGKRZSA-N 1 0 381.820 0.693 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415751134 1188155738 /nfs/dbraw/zinc/15/57/38/1188155738.db2.gz VTOHIKCTVBGLMT-NEPJUHHUSA-N 1 0 390.396 0.763 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102165304 1188158863 /nfs/dbraw/zinc/15/88/63/1188158863.db2.gz QCURTMHTRMQDPH-CYBMUJFWSA-N 1 0 379.392 0.870 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415771921 1188161004 /nfs/dbraw/zinc/16/10/04/1188161004.db2.gz SEJBANJTFMSOMY-DGCLKSJQSA-N 1 0 390.396 0.839 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000415842837 1189381251 /nfs/dbraw/zinc/38/12/51/1189381251.db2.gz AJYMESYEFKBNBN-SNVBAGLBSA-N 1 0 388.327 0.711 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415848878 1189383311 /nfs/dbraw/zinc/38/33/11/1189383311.db2.gz DZRFKVJSHRDYGE-ZDUSSCGKSA-N 1 0 377.445 0.851 20 5 GCBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000415857695 1189387751 /nfs/dbraw/zinc/38/77/51/1189387751.db2.gz ITBKNBSAQYBIKH-UHFFFAOYSA-N 1 0 378.385 0.953 20 5 GCBDRO CN(C)CC[N@H+](C)CCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000290598060 1189419565 /nfs/dbraw/zinc/41/95/65/1189419565.db2.gz JEAGFDBCADCIIE-UHFFFAOYSA-N 1 0 397.501 0.786 20 5 GCBDRO COC(=O)CC[N@@H+](CC(OC)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000274350662 1189452913 /nfs/dbraw/zinc/45/29/13/1189452913.db2.gz WZVKQOQTGRMEDM-ZDUSSCGKSA-N 1 0 386.401 0.819 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378319358 1189473586 /nfs/dbraw/zinc/47/35/86/1189473586.db2.gz RLJZETJJTIVBLM-HOCLYGCPSA-N 1 0 378.477 0.974 20 5 GCBDRO Nc1c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000378405115 1189499785 /nfs/dbraw/zinc/49/97/85/1189499785.db2.gz QSFINZHKJCSWSY-UHFFFAOYSA-N 1 0 382.392 0.615 20 5 GCBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000378506274 1189523010 /nfs/dbraw/zinc/52/30/10/1189523010.db2.gz PMWSROZEKUDWHC-AWEZNQCLSA-N 1 0 392.412 0.460 20 5 GCBDRO COc1cc(CCNC(=O)NC[C@H]2C[NH2+]CCCO2)c([N+](=O)[O-])cc1OC ZINC000416907276 1189593253 /nfs/dbraw/zinc/59/32/53/1189593253.db2.gz ULDZDDVXICBCPT-CYBMUJFWSA-N 1 0 382.417 0.832 20 5 GCBDRO O=C(NCCC[NH2+]C1CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417265624 1189636788 /nfs/dbraw/zinc/63/67/88/1189636788.db2.gz BEGBQUARZLVGMV-UHFFFAOYSA-N 1 0 385.446 0.314 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266123 1189638679 /nfs/dbraw/zinc/63/86/79/1189638679.db2.gz BVPCTRZMZRIPGM-STQMWFEESA-N 1 0 399.473 0.642 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417264782 1189638841 /nfs/dbraw/zinc/63/88/41/1189638841.db2.gz ADJKOLIIPZMKJQ-STQMWFEESA-N 1 0 397.457 0.124 20 5 GCBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266131 1189638860 /nfs/dbraw/zinc/63/88/60/1189638860.db2.gz BXWZPHPFWGWSCB-GFCCVEGCSA-N 1 0 385.446 0.267 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417281252 1189639193 /nfs/dbraw/zinc/63/91/93/1189639193.db2.gz MYSQUQMDGALCEY-RYUDHWBXSA-N 1 0 385.446 0.313 20 5 GCBDRO [NH3+]C1CCC(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000417283274 1189639969 /nfs/dbraw/zinc/63/99/69/1189639969.db2.gz QWBADTXSECACAD-UHFFFAOYSA-N 1 0 385.446 0.442 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C[NH2+]1 ZINC000417288190 1189640598 /nfs/dbraw/zinc/64/05/98/1189640598.db2.gz XXWBOOOYMUXIEW-VXGBXAGGSA-N 1 0 385.446 0.265 20 5 GCBDRO CC1(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000417287883 1189640884 /nfs/dbraw/zinc/64/08/84/1189640884.db2.gz XIPSWRVOONRHFK-UHFFFAOYSA-N 1 0 385.446 0.314 20 5 GCBDRO CCCC[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417287904 1189640913 /nfs/dbraw/zinc/64/09/13/1189640913.db2.gz XLFMLCBUHSPUSJ-GFCCVEGCSA-N 1 0 387.462 0.690 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417301923 1189641238 /nfs/dbraw/zinc/64/12/38/1189641238.db2.gz AVDIQLUNRRYCNB-STQMWFEESA-N 1 0 397.457 0.124 20 5 GCBDRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000417302384 1189641622 /nfs/dbraw/zinc/64/16/22/1189641622.db2.gz BFXOAHGXXSPDHV-HNNXBMFYSA-N 1 0 399.473 0.690 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000417306438 1189643794 /nfs/dbraw/zinc/64/37/94/1189643794.db2.gz CIPSATWFZQRUHS-NSHDSACASA-N 1 0 395.388 0.155 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307029 1189643802 /nfs/dbraw/zinc/64/38/02/1189643802.db2.gz DHXIVNVNHVAIHL-WFASDCNBSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307419 1189643833 /nfs/dbraw/zinc/64/38/33/1189643833.db2.gz BHUDOIZKIUTFDG-DOMZBBRYSA-N 1 0 399.473 0.784 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417307641 1189643896 /nfs/dbraw/zinc/64/38/96/1189643896.db2.gz DWMFLJXREPBYIO-STQMWFEESA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417327206 1189645776 /nfs/dbraw/zinc/64/57/76/1189645776.db2.gz SAZAZLMYXOUELV-HNNXBMFYSA-N 1 0 385.446 0.253 20 5 GCBDRO CC1(C)CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417329520 1189645863 /nfs/dbraw/zinc/64/58/63/1189645863.db2.gz UJWPVJQDKXNENS-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417319598 1189646747 /nfs/dbraw/zinc/64/67/47/1189646747.db2.gz HZAVPRCREFNMAG-NEPJUHHUSA-N 1 0 385.446 0.313 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417324589 1189647322 /nfs/dbraw/zinc/64/73/22/1189647322.db2.gz PXWGGPHDNOSSSJ-WFASDCNBSA-N 1 0 397.457 0.267 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000417325283 1189647758 /nfs/dbraw/zinc/64/77/58/1189647758.db2.gz QLQHTJVKWAYWJN-ZDUSSCGKSA-N 1 0 399.473 0.562 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337875 1189648972 /nfs/dbraw/zinc/64/89/72/1189648972.db2.gz JMEUAANXQQXJPD-NEPJUHHUSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000417335281 1189649022 /nfs/dbraw/zinc/64/90/22/1189649022.db2.gz GBDZTESUEBDSSZ-OLZOCXBDSA-N 1 0 399.473 0.560 20 5 GCBDRO CCCC[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337641 1189649073 /nfs/dbraw/zinc/64/90/73/1189649073.db2.gz JDWTXCNHACCYQI-GFCCVEGCSA-N 1 0 387.462 0.690 20 5 GCBDRO C[C@@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417679624 1189694295 /nfs/dbraw/zinc/69/42/95/1189694295.db2.gz MAOJXPMVGWTTIS-LBPRGKRZSA-N 1 0 387.462 0.690 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000417689272 1189696453 /nfs/dbraw/zinc/69/64/53/1189696453.db2.gz FYJWIGHAYHEVQU-RYUDHWBXSA-N 1 0 385.446 0.265 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000417687759 1189696676 /nfs/dbraw/zinc/69/66/76/1189696676.db2.gz CMVZMCJNGCSNNP-GFCCVEGCSA-N 1 0 385.446 0.172 20 5 GCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000417686645 1189696738 /nfs/dbraw/zinc/69/67/38/1189696738.db2.gz BETCSYLEAPERSO-QWHCGFSZSA-N 1 0 399.473 0.560 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000417689273 1189696817 /nfs/dbraw/zinc/69/68/17/1189696817.db2.gz FYJWIGHAYHEVQU-VXGBXAGGSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681185 1189697470 /nfs/dbraw/zinc/69/74/70/1189697470.db2.gz PKFMZQSDVIFUAF-HNNXBMFYSA-N 1 0 385.446 0.253 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417681244 1189697497 /nfs/dbraw/zinc/69/74/97/1189697497.db2.gz PSEPHWIEOLPABZ-CHWSQXEVSA-N 1 0 397.457 0.267 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000417707631 1189698826 /nfs/dbraw/zinc/69/88/26/1189698826.db2.gz XVBGSUFHSOYXGR-LBPRGKRZSA-N 1 0 385.446 0.172 20 5 GCBDRO [NH3+]C1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000417707208 1189699013 /nfs/dbraw/zinc/69/90/13/1189699013.db2.gz XIUPJZPIQZTNRN-UHFFFAOYSA-N 1 0 385.446 0.442 20 5 GCBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418356432 1189764350 /nfs/dbraw/zinc/76/43/50/1189764350.db2.gz CAXPERIRCNWSBS-CYBMUJFWSA-N 1 0 397.457 0.363 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000418386771 1189773386 /nfs/dbraw/zinc/77/33/86/1189773386.db2.gz QMTZELDPFPLHNF-GFCCVEGCSA-N 1 0 397.457 0.192 20 5 GCBDRO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCCc1ccccc1 ZINC000566791684 1189820010 /nfs/dbraw/zinc/82/00/10/1189820010.db2.gz DWGBKHRBEINVAZ-MSOLQXFVSA-N 1 0 387.440 0.976 20 5 GCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000110865526 1189881647 /nfs/dbraw/zinc/88/16/47/1189881647.db2.gz DKPZMCDSNVDDIM-UHFFFAOYSA-N 1 0 387.444 0.885 20 5 GCBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000433144675 1193765219 /nfs/dbraw/zinc/76/52/19/1193765219.db2.gz DDFZCILTOCAIMZ-OAHLLOKOSA-N 1 0 384.458 0.659 20 5 GCBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000433149904 1193765727 /nfs/dbraw/zinc/76/57/27/1193765727.db2.gz VAMZJTKALCXDDA-OAHLLOKOSA-N 1 0 384.458 0.659 20 5 GCBDRO CO[C@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000419348408 1193844350 /nfs/dbraw/zinc/84/43/50/1193844350.db2.gz LGYHKTBGMWZUNX-SJORKVTESA-N 1 0 392.456 0.998 20 5 GCBDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419362028 1193865315 /nfs/dbraw/zinc/86/53/15/1193865315.db2.gz UDXGWZGWWWLGBZ-CQSZACIVSA-N 1 0 378.385 0.677 20 5 GCBDRO C[C@@H]1C[NH+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000047433821 1193872170 /nfs/dbraw/zinc/87/21/70/1193872170.db2.gz RWHHELOBDDUJRD-ZIAGYGMSSA-N 1 0 378.429 0.940 20 5 GCBDRO C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261842049 1193928476 /nfs/dbraw/zinc/92/84/76/1193928476.db2.gz PQCZLRJYQQFKFP-OCCSQVGLSA-N 1 0 384.458 0.801 20 5 GCBDRO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000576754367 1193944787 /nfs/dbraw/zinc/94/47/87/1193944787.db2.gz OIXHYZVQQRISCX-NWDGAFQWSA-N 1 0 399.473 0.059 20 5 GCBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000576754366 1193944924 /nfs/dbraw/zinc/94/49/24/1193944924.db2.gz OIXHYZVQQRISCX-NEPJUHHUSA-N 1 0 399.473 0.059 20 5 GCBDRO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262413495 1193947366 /nfs/dbraw/zinc/94/73/66/1193947366.db2.gz YHAIIRFEZCCLQL-NILFDRSVSA-N 1 0 382.442 0.411 20 5 GCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513411549 1193949258 /nfs/dbraw/zinc/94/92/58/1193949258.db2.gz VQLMXQOIZMOEFP-LBPRGKRZSA-N 1 0 384.458 0.364 20 5 GCBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263005243 1193960121 /nfs/dbraw/zinc/96/01/21/1193960121.db2.gz PFOAKINQWUOFCD-ZBFHGGJFSA-N 1 0 384.458 0.897 20 5 GCBDRO COC[C@H](CO)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000280102180 1193976690 /nfs/dbraw/zinc/97/66/90/1193976690.db2.gz BCCGIJAHBDFOHN-LBPRGKRZSA-N 1 0 390.462 0.244 20 5 GCBDRO COC[C@@H](CO)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000280102179 1193976747 /nfs/dbraw/zinc/97/67/47/1193976747.db2.gz BCCGIJAHBDFOHN-GFCCVEGCSA-N 1 0 390.462 0.244 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000280693052 1194013109 /nfs/dbraw/zinc/01/31/09/1194013109.db2.gz DMULZFRGEUXXRE-UHFFFAOYSA-N 1 0 382.442 0.427 20 5 GCBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000419455682 1194033320 /nfs/dbraw/zinc/03/33/20/1194033320.db2.gz PYUDPDKYDTTXIF-AWEZNQCLSA-N 1 0 377.445 0.889 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000419457301 1194033798 /nfs/dbraw/zinc/03/37/98/1194033798.db2.gz VZHSWJHHFNHAIH-CQSZACIVSA-N 1 0 377.445 0.937 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000419454509 1194038293 /nfs/dbraw/zinc/03/82/93/1194038293.db2.gz MHMWHLINKYYIMS-OKILXGFUSA-N 1 0 375.429 0.499 20 5 GCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000501127502 1194060536 /nfs/dbraw/zinc/06/05/36/1194060536.db2.gz HJSWYWFUXSRPGY-UHFFFAOYSA-N 1 0 388.432 0.451 20 5 GCBDRO Cc1c(CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000419761137 1194098947 /nfs/dbraw/zinc/09/89/47/1194098947.db2.gz PCDUCVMCJGKACO-UHFFFAOYSA-N 1 0 378.429 0.876 20 5 GCBDRO CN(C(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419764968 1194101407 /nfs/dbraw/zinc/10/14/07/1194101407.db2.gz BMYMUXPQDUOODA-RYUDHWBXSA-N 1 0 390.318 0.021 20 5 GCBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000419796293 1194105231 /nfs/dbraw/zinc/10/52/31/1194105231.db2.gz NQXZBLJDXNLPBF-UHFFFAOYSA-N 1 0 378.385 0.905 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000419873425 1194129022 /nfs/dbraw/zinc/12/90/22/1194129022.db2.gz MPMOMCWGQGURTJ-CHWSQXEVSA-N 1 0 376.417 0.025 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419891874 1194134808 /nfs/dbraw/zinc/13/48/08/1194134808.db2.gz NUTGKFXSIIALEO-GJZGRUSLSA-N 1 0 389.456 0.748 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000419897076 1194135847 /nfs/dbraw/zinc/13/58/47/1194135847.db2.gz YPORQEZHDCGNLR-ZDUSSCGKSA-N 1 0 391.428 0.120 20 5 GCBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419916644 1194138497 /nfs/dbraw/zinc/13/84/97/1194138497.db2.gz QZJXNIVGWYCUBU-AWEZNQCLSA-N 1 0 375.429 0.359 20 5 GCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000366499139 1194149141 /nfs/dbraw/zinc/14/91/41/1194149141.db2.gz BRBGESOXFCCFOO-FWYOQMDTSA-N 1 0 394.453 0.330 20 5 GCBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420005461 1194156792 /nfs/dbraw/zinc/15/67/92/1194156792.db2.gz PJKMCORYALBJGT-VIFPVBQESA-N 1 0 391.350 0.995 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420015942 1194162521 /nfs/dbraw/zinc/16/25/21/1194162521.db2.gz MADKVXQAUJQHAW-WBMJQRKESA-N 1 0 376.413 0.818 20 5 GCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000420061278 1194164440 /nfs/dbraw/zinc/16/44/40/1194164440.db2.gz LGAPVCLIJRJTBW-INIZCTEOSA-N 1 0 376.413 0.818 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044146 1194167439 /nfs/dbraw/zinc/16/74/39/1194167439.db2.gz SOSGSZQKJDTMPB-ABAIWWIYSA-N 1 0 392.412 0.414 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420073787 1194173241 /nfs/dbraw/zinc/17/32/41/1194173241.db2.gz YULJQBNWPYTTED-WMLDXEAASA-N 1 0 389.456 0.877 20 5 GCBDRO CC1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[NH2+]CC1 ZINC000420084481 1194174339 /nfs/dbraw/zinc/17/43/39/1194174339.db2.gz MVCBHDXSAZCIJK-UHFFFAOYSA-N 1 0 376.413 0.690 20 5 GCBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420129478 1194189265 /nfs/dbraw/zinc/18/92/65/1194189265.db2.gz VCVAPHOKRGKAQI-AWEZNQCLSA-N 1 0 377.445 0.877 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000420142130 1194192866 /nfs/dbraw/zinc/19/28/66/1194192866.db2.gz ZSUQSUJVLDGWMH-KGLIPLIRSA-N 1 0 375.429 0.500 20 5 GCBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420165487 1194198919 /nfs/dbraw/zinc/19/89/19/1194198919.db2.gz NGGREDDUOVQBOO-CQSZACIVSA-N 1 0 392.460 0.849 20 5 GCBDRO CS(=O)(=O)c1cccc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000420167265 1194199493 /nfs/dbraw/zinc/19/94/93/1194199493.db2.gz JMXVUFKPWOTVJD-CYBMUJFWSA-N 1 0 396.469 0.647 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420204619 1194204395 /nfs/dbraw/zinc/20/43/95/1194204395.db2.gz SHUQGUSKUKXRQA-MRXNPFEDSA-N 1 0 392.412 0.069 20 5 GCBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420204382 1194204431 /nfs/dbraw/zinc/20/44/31/1194204431.db2.gz HYVWDQDRJCWJDP-BFHYXJOUSA-N 1 0 388.424 0.689 20 5 GCBDRO C[NH2+]C[C@H](C)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000420207006 1194205332 /nfs/dbraw/zinc/20/53/32/1194205332.db2.gz QETJKTWIUMFQQX-ZDUSSCGKSA-N 1 0 385.490 0.798 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420187097 1194205845 /nfs/dbraw/zinc/20/58/45/1194205845.db2.gz DCNRKWABKVDHDZ-ZIAGYGMSSA-N 1 0 375.429 0.487 20 5 GCBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420187094 1194205956 /nfs/dbraw/zinc/20/59/56/1194205956.db2.gz DCNRKWABKVDHDZ-UONOGXRCSA-N 1 0 375.429 0.487 20 5 GCBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349101 1194223054 /nfs/dbraw/zinc/22/30/54/1194223054.db2.gz NSPATQVDNVXIGV-KGLIPLIRSA-N 1 0 377.445 0.910 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420482490 1194231715 /nfs/dbraw/zinc/23/17/15/1194231715.db2.gz UNEPPNGOBXTWSR-AWEZNQCLSA-N 1 0 380.430 0.979 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000413500277 1194275835 /nfs/dbraw/zinc/27/58/35/1194275835.db2.gz OBBYVTMWDZJPSP-NSHDSACASA-N 1 0 386.430 0.044 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366946863 1194336763 /nfs/dbraw/zinc/33/67/63/1194336763.db2.gz UIWNZFXXUUDVEA-KGLIPLIRSA-N 1 0 392.412 0.911 20 5 GCBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000413823576 1194346782 /nfs/dbraw/zinc/34/67/82/1194346782.db2.gz VSYOINRWITXHEJ-UONOGXRCSA-N 1 0 394.428 0.755 20 5 GCBDRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422287434 1194603174 /nfs/dbraw/zinc/60/31/74/1194603174.db2.gz YZQBZRHBJVCTCB-UHFFFAOYSA-N 1 0 392.460 0.487 20 5 GCBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422915357 1194707505 /nfs/dbraw/zinc/70/75/05/1194707505.db2.gz AXQGDICJTXPIQU-ZIAGYGMSSA-N 1 0 396.469 0.816 20 5 GCBDRO O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000422923967 1194708446 /nfs/dbraw/zinc/70/84/46/1194708446.db2.gz SZEDKVBJWVESNF-WBMJQRKESA-N 1 0 380.426 0.180 20 5 GCBDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000422941290 1194710429 /nfs/dbraw/zinc/71/04/29/1194710429.db2.gz UXULEYNAQWKUSY-RISCZKNCSA-N 1 0 384.458 0.915 20 5 GCBDRO [NH3+]CC1(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422921691 1194710772 /nfs/dbraw/zinc/71/07/72/1194710772.db2.gz OUKAHWKCKUYMCY-UHFFFAOYSA-N 1 0 382.442 0.557 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994532 1194713683 /nfs/dbraw/zinc/71/36/83/1194713683.db2.gz VNAGXIIOZMUAJD-HUUCEWRRSA-N 1 0 387.440 0.454 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422984779 1194715421 /nfs/dbraw/zinc/71/54/21/1194715421.db2.gz ZDZZNAMZLHCFCJ-GOEBONIOSA-N 1 0 384.458 0.230 20 5 GCBDRO COC[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]C1 ZINC000423040824 1194721459 /nfs/dbraw/zinc/72/14/59/1194721459.db2.gz IBDSZZMNNISSLV-INIZCTEOSA-N 1 0 382.442 0.567 20 5 GCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423110887 1194730197 /nfs/dbraw/zinc/73/01/97/1194730197.db2.gz WCISZKCAWQRACT-OAHLLOKOSA-N 1 0 375.429 0.059 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423153328 1194732110 /nfs/dbraw/zinc/73/21/10/1194732110.db2.gz NDQAZMGEYOKDTL-PBHICJAKSA-N 1 0 387.440 0.454 20 5 GCBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423158116 1194732594 /nfs/dbraw/zinc/73/25/94/1194732594.db2.gz WHCUZLSVDGQKSR-AWEZNQCLSA-N 1 0 375.429 0.311 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423160531 1194734210 /nfs/dbraw/zinc/73/42/10/1194734210.db2.gz ZNEZUIRNGBUCEZ-LJQANCHMSA-N 1 0 387.440 0.455 20 5 GCBDRO O=C(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423398034 1194753726 /nfs/dbraw/zinc/75/37/26/1194753726.db2.gz SUVPPMHFAIWHDZ-OKILXGFUSA-N 1 0 388.424 0.642 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423569401 1194768207 /nfs/dbraw/zinc/76/82/07/1194768207.db2.gz FTGZYRGGOSNHMP-OLZOCXBDSA-N 1 0 376.413 0.770 20 5 GCBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423604352 1194772317 /nfs/dbraw/zinc/77/23/17/1194772317.db2.gz IBWQKIRTENJSLC-ZDUSSCGKSA-N 1 0 376.413 0.785 20 5 GCBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423620952 1194777701 /nfs/dbraw/zinc/77/77/01/1194777701.db2.gz XDBWUVVKIQMKGF-MRXNPFEDSA-N 1 0 375.429 0.454 20 5 GCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423659635 1194780655 /nfs/dbraw/zinc/78/06/55/1194780655.db2.gz ZRMAIYMYRMKWIG-KBPBESRZSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423659641 1194780744 /nfs/dbraw/zinc/78/07/44/1194780744.db2.gz ZRMAIYMYRMKWIG-UONOGXRCSA-N 1 0 375.429 0.439 20 5 GCBDRO CC1(C)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423708464 1194787117 /nfs/dbraw/zinc/78/71/17/1194787117.db2.gz MIOJAJJBKZVUJI-OAHLLOKOSA-N 1 0 396.469 0.958 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000423714173 1194787653 /nfs/dbraw/zinc/78/76/53/1194787653.db2.gz FTTRCMHIKGCHHJ-ZDUSSCGKSA-N 1 0 393.444 0.448 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H]1C[NH3+] ZINC000423746940 1194791525 /nfs/dbraw/zinc/79/15/25/1194791525.db2.gz YLPAMSBUZNJCAF-UKRRQHHQSA-N 1 0 390.444 0.224 20 5 GCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423733675 1194792245 /nfs/dbraw/zinc/79/22/45/1194792245.db2.gz CFSYMAWSXNICOT-OAHLLOKOSA-N 1 0 389.456 0.844 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000423970721 1194797628 /nfs/dbraw/zinc/79/76/28/1194797628.db2.gz XKGNFZVGOOVABA-OAHLLOKOSA-N 1 0 384.458 0.897 20 5 GCBDRO C[C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424064788 1194800357 /nfs/dbraw/zinc/80/03/57/1194800357.db2.gz DMLYUTXGXCGQPA-AGIUHOORSA-N 1 0 384.458 0.705 20 5 GCBDRO Cc1c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000424228750 1194805955 /nfs/dbraw/zinc/80/59/55/1194805955.db2.gz UPBGTJRUVHMFFK-JKSUJKDBSA-N 1 0 396.411 0.784 20 5 GCBDRO COc1cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424397234 1194810761 /nfs/dbraw/zinc/81/07/61/1194810761.db2.gz ZEEZUHKFNTWLBU-QWHCGFSZSA-N 1 0 381.414 0.452 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425052412 1194836974 /nfs/dbraw/zinc/83/69/74/1194836974.db2.gz VPBBINFAABUYPG-DZGCQCFKSA-N 1 0 376.413 0.886 20 5 GCBDRO O=C(NCCC[NH+]1CCCC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514015109 1194845369 /nfs/dbraw/zinc/84/53/69/1194845369.db2.gz GNBVHWYTIHDGSP-UHFFFAOYSA-N 1 0 399.473 0.658 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434454203 1194846812 /nfs/dbraw/zinc/84/68/12/1194846812.db2.gz YVZWWHOBMLTXGV-AWEZNQCLSA-N 1 0 379.413 0.872 20 5 GCBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000434729132 1194864441 /nfs/dbraw/zinc/86/44/41/1194864441.db2.gz XFZUYQXJWDSBHJ-WMZOPIPTSA-N 1 0 393.440 0.686 20 5 GCBDRO CC1(C)CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000514613105 1194887897 /nfs/dbraw/zinc/88/78/97/1194887897.db2.gz BGWSSGDYSFGXQW-UHFFFAOYSA-N 1 0 384.458 0.721 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000425320583 1194910670 /nfs/dbraw/zinc/91/06/70/1194910670.db2.gz RCQVFFCLFUIEAL-CYBMUJFWSA-N 1 0 394.428 0.512 20 5 GCBDRO COc1ccc(NC(=O)CN2CCCC[C@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000436047778 1194982159 /nfs/dbraw/zinc/98/21/59/1194982159.db2.gz FADQWUHCWGIBQM-ZDUSSCGKSA-N 1 0 393.444 0.861 20 5 GCBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425546367 1195006032 /nfs/dbraw/zinc/00/60/32/1195006032.db2.gz RNFGEOQBVCGDRU-CQSZACIVSA-N 1 0 387.396 0.770 20 5 GCBDRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000517024933 1195125860 /nfs/dbraw/zinc/12/58/60/1195125860.db2.gz FQFVFRMNXLDNBN-KGLIPLIRSA-N 1 0 389.412 0.772 20 5 GCBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000517570375 1195194605 /nfs/dbraw/zinc/19/46/05/1195194605.db2.gz SSNMORYNAFSKAU-UHFFFAOYSA-N 1 0 391.428 0.592 20 5 GCBDRO C[C@]1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]C1 ZINC000518348298 1195281576 /nfs/dbraw/zinc/28/15/76/1195281576.db2.gz KUKJZXKYHWRMQZ-SFHVURJKSA-N 1 0 390.444 0.144 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)C[NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000518582981 1195306240 /nfs/dbraw/zinc/30/62/40/1195306240.db2.gz HIYDQVBRZSMNTF-UHFFFAOYSA-N 1 0 382.442 0.399 20 5 GCBDRO CNc1nccc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000518795730 1195332585 /nfs/dbraw/zinc/33/25/85/1195332585.db2.gz CEIJAKVJYPLGIQ-GFCCVEGCSA-N 1 0 378.433 0.752 20 5 GCBDRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000519141613 1195372396 /nfs/dbraw/zinc/37/23/96/1195372396.db2.gz NZVMBLXSNBAYJC-CQSZACIVSA-N 1 0 387.458 0.596 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000440049943 1195378490 /nfs/dbraw/zinc/37/84/90/1195378490.db2.gz KGCQIMQWFUCPNU-ZDUSSCGKSA-N 1 0 393.444 0.684 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000440360841 1195411570 /nfs/dbraw/zinc/41/15/70/1195411570.db2.gz YWWNDSBRRVANJG-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440365939 1195411739 /nfs/dbraw/zinc/41/17/39/1195411739.db2.gz QICFBHCONODFGE-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO CN1CC[NH+](CCC(C)(C)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184201030 1195443494 /nfs/dbraw/zinc/44/34/94/1195443494.db2.gz MFFALQJRTLKFRN-UHFFFAOYSA-N 1 0 391.472 0.857 20 5 GCBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000427335923 1195527055 /nfs/dbraw/zinc/52/70/55/1195527055.db2.gz CJXUTVXASAXUOM-CYBMUJFWSA-N 1 0 382.442 0.427 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427375028 1195530440 /nfs/dbraw/zinc/53/04/40/1195530440.db2.gz KGRJIEMJDGMESJ-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000519697852 1195563610 /nfs/dbraw/zinc/56/36/10/1195563610.db2.gz JJRWVJIBJJRFNF-AWEZNQCLSA-N 1 0 395.437 0.903 20 5 GCBDRO CN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000519764646 1195568351 /nfs/dbraw/zinc/56/83/51/1195568351.db2.gz BFGUQKXRIJVWAN-XIKOKIGWSA-N 1 0 389.412 0.997 20 5 GCBDRO CN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000519764608 1195568446 /nfs/dbraw/zinc/56/84/46/1195568446.db2.gz BFGUQKXRIJVWAN-KPZWWZAWSA-N 1 0 389.412 0.997 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000293977300 1195587349 /nfs/dbraw/zinc/58/73/49/1195587349.db2.gz GFUWNMYFIUNRGR-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000294022361 1195593909 /nfs/dbraw/zinc/59/39/09/1195593909.db2.gz KVZRPXJYHKYGJN-CYBMUJFWSA-N 1 0 386.474 0.786 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000550322289 1195617842 /nfs/dbraw/zinc/61/78/42/1195617842.db2.gz IDXXNQCJSXURTM-UHFFFAOYSA-N 1 0 389.393 0.951 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000574684156 1195776265 /nfs/dbraw/zinc/77/62/65/1195776265.db2.gz ZMRRSVJFPAYUNQ-CYBMUJFWSA-N 1 0 377.401 0.303 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000520531397 1195780948 /nfs/dbraw/zinc/78/09/48/1195780948.db2.gz FZOGPSWHWYJPKN-UHFFFAOYSA-N 1 0 388.432 0.300 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000473993978 1195784995 /nfs/dbraw/zinc/78/49/95/1195784995.db2.gz JNFDSAYXWLMURX-UHFFFAOYSA-N 1 0 387.414 0.128 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441602750 1195793351 /nfs/dbraw/zinc/79/33/51/1195793351.db2.gz XECWVRBAYMNUSX-WFASDCNBSA-N 1 0 384.458 0.849 20 5 GCBDRO COCC[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141604866 1195827972 /nfs/dbraw/zinc/82/79/72/1195827972.db2.gz GMPSFQGPTUTTMW-CYBMUJFWSA-N 1 0 378.429 0.940 20 5 GCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521499124 1195998890 /nfs/dbraw/zinc/99/88/90/1195998890.db2.gz XGFOFYLJTWQCHS-CYBMUJFWSA-N 1 0 392.412 0.996 20 5 GCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000151615792 1196055221 /nfs/dbraw/zinc/05/52/21/1196055221.db2.gz SSBUGIUEALAMHU-MRXNPFEDSA-N 1 0 375.429 0.697 20 5 GCBDRO CCC[NH+]1CCC(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000550489541 1196056010 /nfs/dbraw/zinc/05/60/10/1196056010.db2.gz NWEXVYKBWPZFPK-UHFFFAOYSA-N 1 0 392.460 0.945 20 5 GCBDRO CNC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000151620597 1196063705 /nfs/dbraw/zinc/06/37/05/1196063705.db2.gz MQCBRKNWQVLXFY-OAHLLOKOSA-N 1 0 375.429 0.697 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000151654283 1196088753 /nfs/dbraw/zinc/08/87/53/1196088753.db2.gz UKJFNXCWJKPMCJ-HOTGVXAUSA-N 1 0 380.449 0.858 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000280867780 1196132226 /nfs/dbraw/zinc/13/22/26/1196132226.db2.gz DYADESMCUWXSBB-AWEZNQCLSA-N 1 0 396.469 0.960 20 5 GCBDRO C[NH+]1CCC(O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000474980939 1196205474 /nfs/dbraw/zinc/20/54/74/1196205474.db2.gz MLMOLKHBYDTUFC-GFCCVEGCSA-N 1 0 396.469 0.834 20 5 GCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280908610 1196265613 /nfs/dbraw/zinc/26/56/13/1196265613.db2.gz IHUNWFCDIKEGCD-QWHCGFSZSA-N 1 0 384.458 0.672 20 5 GCBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280949048 1196268355 /nfs/dbraw/zinc/26/83/55/1196268355.db2.gz MCVXYXAIGFWHPP-QWHCGFSZSA-N 1 0 384.458 0.862 20 5 GCBDRO COC(=O)[C@@H](C)N(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000281051487 1196273001 /nfs/dbraw/zinc/27/30/01/1196273001.db2.gz SCOXBXWLLQPJGO-LLVKDONJSA-N 1 0 388.446 0.432 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000281914479 1196346895 /nfs/dbraw/zinc/34/68/95/1196346895.db2.gz IZGNTOPXDFUCMD-GFCCVEGCSA-N 1 0 399.473 0.632 20 5 GCBDRO Nc1cc[nH+]cc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444159185 1196353636 /nfs/dbraw/zinc/35/36/36/1196353636.db2.gz IWZSKPNZTAOMOV-UHFFFAOYSA-N 1 0 391.409 0.549 20 5 GCBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)cc2n(C)c1=O ZINC000897218055 1196405832 /nfs/dbraw/zinc/40/58/32/1196405832.db2.gz AOQUMBDWSKMYFQ-CHWSQXEVSA-N 1 0 375.429 0.821 20 5 GCBDRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523121470 1196490863 /nfs/dbraw/zinc/49/08/63/1196490863.db2.gz ANCOUTWFJNLHKS-CVEARBPZSA-N 1 0 396.469 0.958 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523988046 1196570919 /nfs/dbraw/zinc/57/09/19/1196570919.db2.gz OOOQWPSWADPORS-LBPRGKRZSA-N 1 0 397.457 0.409 20 5 GCBDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000428419283 1196592830 /nfs/dbraw/zinc/59/28/30/1196592830.db2.gz MGJUUQJSRHDBEW-XJKSGUPXSA-N 1 0 396.469 0.958 20 5 GCBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)cc1OC ZINC000467512307 1196644127 /nfs/dbraw/zinc/64/41/27/1196644127.db2.gz SGLRZYRRADIFPG-UHFFFAOYSA-N 1 0 397.428 0.815 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cn1 ZINC000525103512 1196650215 /nfs/dbraw/zinc/65/02/15/1196650215.db2.gz IMHHFUJKDHKPEZ-UHFFFAOYSA-N 1 0 393.379 0.443 20 5 GCBDRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000446750463 1196664487 /nfs/dbraw/zinc/66/44/87/1196664487.db2.gz GTLDSGBKPWECHM-MRXNPFEDSA-N 1 0 387.458 0.904 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000525335260 1196670928 /nfs/dbraw/zinc/67/09/28/1196670928.db2.gz SEJIIJDRJRAELE-HNNXBMFYSA-N 1 0 395.508 0.971 20 5 GCBDRO CCCc1[nH]nc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000525616901 1196695545 /nfs/dbraw/zinc/69/55/45/1196695545.db2.gz LSMBYIPTLMZWRL-UHFFFAOYSA-N 1 0 392.420 0.397 20 5 GCBDRO C[C@@H]1CC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804693 1196711027 /nfs/dbraw/zinc/71/10/27/1196711027.db2.gz KHKMYWHYRDUBFL-CYBMUJFWSA-N 1 0 384.458 0.673 20 5 GCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCNS(=O)(=O)Cc2ccon2)n1 ZINC000447587689 1196731950 /nfs/dbraw/zinc/73/19/50/1196731950.db2.gz RVLVUQCPKHKFEA-KBPBESRZSA-N 1 0 398.445 0.972 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000527385331 1196782519 /nfs/dbraw/zinc/78/25/19/1196782519.db2.gz HKTRUZATASHLBZ-CYBMUJFWSA-N 1 0 386.474 0.908 20 5 GCBDRO C[C@@H]1C[NH+](C[C@H](O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000145569514 1196819177 /nfs/dbraw/zinc/81/91/77/1196819177.db2.gz KTEYBKAPZACJJN-BFYDXBDKSA-N 1 0 379.461 0.582 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448932601 1196840666 /nfs/dbraw/zinc/84/06/66/1196840666.db2.gz KGGGEQAQMSPLCV-OAHLLOKOSA-N 1 0 386.412 0.850 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449714230 1196894360 /nfs/dbraw/zinc/89/43/60/1196894360.db2.gz BQDCCSIDZUXMFO-LLVKDONJSA-N 1 0 377.323 0.790 20 5 GCBDRO CN(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449729769 1196895054 /nfs/dbraw/zinc/89/50/54/1196895054.db2.gz OGOSFJIHOXWFEO-LLVKDONJSA-N 1 0 398.363 0.611 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732687 1196895978 /nfs/dbraw/zinc/89/59/78/1196895978.db2.gz MGQBTRUVTRMJLY-SWLSCSKDSA-N 1 0 382.442 0.474 20 5 GCBDRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000530810949 1197018306 /nfs/dbraw/zinc/01/83/06/1197018306.db2.gz BANZJHNCXJTSEW-CQSZACIVSA-N 1 0 390.444 0.049 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452388790 1197056465 /nfs/dbraw/zinc/05/64/65/1197056465.db2.gz KNJJVTOWILGISY-AWEZNQCLSA-N 1 0 379.413 0.872 20 5 GCBDRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000520220215 1197092457 /nfs/dbraw/zinc/09/24/57/1197092457.db2.gz VGSDPTIMAUNUOR-ZIAGYGMSSA-N 1 0 375.385 0.463 20 5 GCBDRO COc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000532241122 1197131195 /nfs/dbraw/zinc/13/11/95/1197131195.db2.gz FCKHBXLHGMHTEF-OAHLLOKOSA-N 1 0 390.440 0.911 20 5 GCBDRO C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C[NH+]1CCCC1 ZINC000585735732 1197151011 /nfs/dbraw/zinc/15/10/11/1197151011.db2.gz OYAUBYFMOCCDEL-AWEZNQCLSA-N 1 0 392.460 0.803 20 5 GCBDRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000171136601 1197312953 /nfs/dbraw/zinc/31/29/53/1197312953.db2.gz GAJSJQUUKAGYLG-KGLIPLIRSA-N 1 0 377.445 0.465 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429727570 1197331960 /nfs/dbraw/zinc/33/19/60/1197331960.db2.gz VJBWGISGYJMSMG-BFHYXJOUSA-N 1 0 387.458 0.785 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429727572 1197332082 /nfs/dbraw/zinc/33/20/82/1197332082.db2.gz VJBWGISGYJMSMG-HZSPNIEDSA-N 1 0 387.458 0.785 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CCN(CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829391 1197365530 /nfs/dbraw/zinc/36/55/30/1197365530.db2.gz XLOMJKRXVBTKJO-UHFFFAOYSA-N 1 0 386.474 0.738 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000533174039 1197437046 /nfs/dbraw/zinc/43/70/46/1197437046.db2.gz DOKDCMPJDMOKDQ-JHJVBQTASA-N 1 0 387.462 0.683 20 5 GCBDRO O=C(NC[C@@H]1CN(C2CC2)CCO1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454998003 1197441550 /nfs/dbraw/zinc/44/15/50/1197441550.db2.gz KRZBUNGEXWYYAW-OAHLLOKOSA-N 1 0 390.444 0.685 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455453507 1197461728 /nfs/dbraw/zinc/46/17/28/1197461728.db2.gz XCOPETXVBDWIBQ-UHFFFAOYSA-N 1 0 378.433 0.658 20 5 GCBDRO Cc1nn(CCC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(C)c1[N+](=O)[O-] ZINC000428614349 1197554398 /nfs/dbraw/zinc/55/43/98/1197554398.db2.gz WBAHRGJLLPHRFB-OAHLLOKOSA-N 1 0 392.460 0.469 20 5 GCBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273485095 1199021591 /nfs/dbraw/zinc/02/15/91/1199021591.db2.gz GNGKCYRCYMSJSY-UHFFFAOYSA-N 1 0 389.430 0.628 20 5 GCBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000554245872 1199047529 /nfs/dbraw/zinc/04/75/29/1199047529.db2.gz ASDCNZLJJYXRTI-TZMCWYRMSA-N 1 0 379.413 0.822 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000554335177 1199048983 /nfs/dbraw/zinc/04/89/83/1199048983.db2.gz DTGAIQVRDOEJFY-LSDHHAIUSA-N 1 0 389.456 0.842 20 5 GCBDRO Cc1nccc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000273644776 1199058518 /nfs/dbraw/zinc/05/85/18/1199058518.db2.gz SUIGHHNFAVDUIC-UHFFFAOYSA-N 1 0 384.396 0.772 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000265758149 1199127568 /nfs/dbraw/zinc/12/75/68/1199127568.db2.gz APCFKOCBRDHIPM-UHFFFAOYSA-N 1 0 380.401 0.002 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000265841512 1199609270 /nfs/dbraw/zinc/60/92/70/1199609270.db2.gz SPPPKGLNEKGSQO-CYBMUJFWSA-N 1 0 386.474 0.643 20 5 GCBDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000265848341 1199660213 /nfs/dbraw/zinc/66/02/13/1199660213.db2.gz IUPWYQWQHVMPIK-HNNXBMFYSA-N 1 0 378.429 0.626 20 5 GCBDRO CCC[NH2+]CCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000154126115 1199789828 /nfs/dbraw/zinc/78/98/28/1199789828.db2.gz VKEGROGCVCRUQA-UHFFFAOYSA-N 1 0 377.445 0.993 20 5 GCBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282361858 1199808516 /nfs/dbraw/zinc/80/85/16/1199808516.db2.gz XNVDOWNTFVGYOJ-CYBMUJFWSA-N 1 0 384.458 0.791 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428911278 1199837710 /nfs/dbraw/zinc/83/77/10/1199837710.db2.gz IXYZYZVNEAZJEN-GFCCVEGCSA-N 1 0 384.458 0.849 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000428984851 1199872559 /nfs/dbraw/zinc/87/25/59/1199872559.db2.gz YPZXTSCPYIJXBA-CYBMUJFWSA-N 1 0 387.400 0.103 20 5 GCBDRO C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000428988749 1199875360 /nfs/dbraw/zinc/87/53/60/1199875360.db2.gz CFYPSADDTAVGKL-QWHCGFSZSA-N 1 0 384.458 0.768 20 5 GCBDRO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000125681449 1199892805 /nfs/dbraw/zinc/89/28/05/1199892805.db2.gz BHAWPPYUVXDASV-LBPRGKRZSA-N 1 0 381.458 0.282 20 5 GCBDRO C[NH+]1CCN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cn2)CC1 ZINC000125964650 1199901998 /nfs/dbraw/zinc/90/19/98/1199901998.db2.gz NJJJRMXWHMIBCU-UHFFFAOYSA-N 1 0 386.412 0.220 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000429186605 1200060503 /nfs/dbraw/zinc/06/05/03/1200060503.db2.gz HBFUHZMXQFCSIG-KCXAZCMYSA-N 1 0 396.469 0.944 20 5 GCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000282499487 1200087651 /nfs/dbraw/zinc/08/76/51/1200087651.db2.gz NBHWKVLQAPUAKU-GFCCVEGCSA-N 1 0 395.435 0.981 20 5 GCBDRO Cn1cc(C(=O)NCC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000173777515 1200373930 /nfs/dbraw/zinc/37/39/30/1200373930.db2.gz PYGFIVRMPCEFHH-MRXNPFEDSA-N 1 0 391.432 0.028 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041640300 1200388280 /nfs/dbraw/zinc/38/82/80/1200388280.db2.gz MTFVTDRBOASGEX-CQSZACIVSA-N 1 0 377.445 0.984 20 5 GCBDRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1=O ZINC000174650022 1200402673 /nfs/dbraw/zinc/40/26/73/1200402673.db2.gz AWLJQVCTOUMZQY-OAHLLOKOSA-N 1 0 389.456 0.654 20 5 GCBDRO C[NH+](C)CCn1ccc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)n1 ZINC000565201133 1200633808 /nfs/dbraw/zinc/63/38/08/1200633808.db2.gz KFJUBCKOLUXOPD-UHFFFAOYSA-N 1 0 398.427 1.138 20 5 GCBDRO C[NH+](C)CCn1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 ZINC000604574443 1200640565 /nfs/dbraw/zinc/64/05/65/1200640565.db2.gz XAQMQHPIDCHYDL-UHFFFAOYSA-N 1 0 386.368 0.588 20 5 GCBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000465167442 1200640869 /nfs/dbraw/zinc/64/08/69/1200640869.db2.gz PGHYTLXSNVRSGO-UHFFFAOYSA-N 1 0 375.385 1.305 20 5 GCBDRO CNc1nccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539398 1200740578 /nfs/dbraw/zinc/74/05/78/1200740578.db2.gz QVJNPQZSBYJFOZ-GJZGRUSLSA-N 1 0 385.424 1.397 20 5 GCBDRO C[NH2+]C1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000429371265 1200913848 /nfs/dbraw/zinc/91/38/48/1200913848.db2.gz YFCVIGFGCJVWJI-UHFFFAOYSA-N 1 0 385.446 0.255 20 5 GCBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000543656681 1200963232 /nfs/dbraw/zinc/96/32/32/1200963232.db2.gz ALBPLWFOLZTQEU-AWEZNQCLSA-N 1 0 392.437 0.559 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429407622 1200989226 /nfs/dbraw/zinc/98/92/26/1200989226.db2.gz RIZKUHAKJGRRPM-ZIAGYGMSSA-N 1 0 398.485 0.967 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429407617 1200989372 /nfs/dbraw/zinc/98/93/72/1200989372.db2.gz RIZKUHAKJGRRPM-KGLIPLIRSA-N 1 0 398.485 0.967 20 5 GCBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 ZINC000429446697 1201066834 /nfs/dbraw/zinc/06/68/34/1201066834.db2.gz DBXZKGNBAXTMPW-HNNXBMFYSA-N 1 0 389.456 0.945 20 5 GCBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609075017 1201131422 /nfs/dbraw/zinc/13/14/22/1201131422.db2.gz DSQSUPFZYJXGJL-UHFFFAOYSA-N 1 0 379.465 0.887 20 5 GCBDRO CCn1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c([N+](=O)[O-])n1 ZINC000611105739 1201216642 /nfs/dbraw/zinc/21/66/42/1201216642.db2.gz HROCALBEEODGCJ-UHFFFAOYSA-N 1 0 389.478 0.979 20 5 GCBDRO CCn1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)c([N+](=O)[O-])n1 ZINC000611105378 1201216780 /nfs/dbraw/zinc/21/67/80/1201216780.db2.gz FJYBSYLWZMVPLQ-UHFFFAOYSA-N 1 0 382.446 0.959 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000611242567 1201224907 /nfs/dbraw/zinc/22/49/07/1201224907.db2.gz VZCRMZIRKDUHDD-OAHLLOKOSA-N 1 0 397.457 0.161 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000731621063 1201491017 /nfs/dbraw/zinc/49/10/17/1201491017.db2.gz CNEKIDCIEKCIPP-KBPBESRZSA-N 1 0 393.396 0.774 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCN1CCOC[C@H]1C ZINC000731631891 1201492350 /nfs/dbraw/zinc/49/23/50/1201492350.db2.gz IWQYLCIKIAJUMD-GFCCVEGCSA-N 1 0 381.385 0.632 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000733162609 1201579176 /nfs/dbraw/zinc/57/91/76/1201579176.db2.gz PPXHYBUWECARPT-CQSZACIVSA-N 1 0 378.429 0.928 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000733976373 1201635693 /nfs/dbraw/zinc/63/56/93/1201635693.db2.gz BORLTLDBGZOUNQ-ZDUSSCGKSA-N 1 0 394.428 0.547 20 5 GCBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000744902843 1201857940 /nfs/dbraw/zinc/85/79/40/1201857940.db2.gz PIPMAMKYXZZPKT-UHFFFAOYSA-N 1 0 380.401 0.289 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(-n2cc3c(n2)CC[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001168816397 1201927045 /nfs/dbraw/zinc/92/70/45/1201927045.db2.gz POHVYHCJHOJHLV-JTQLQIEISA-N 1 0 389.368 0.421 20 5 GCBDRO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CC[C@H](C[N+](=O)[O-])C2)S(C)(=O)=O)cn1 ZINC001169019238 1201930925 /nfs/dbraw/zinc/93/09/25/1201930925.db2.gz GVCPTBNNPYZAEO-QCEMKRCNSA-N 1 0 385.490 0.400 20 5 GCBDRO CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001169019162 1201931177 /nfs/dbraw/zinc/93/11/77/1201931177.db2.gz FBSNVLCVUCWJQS-YKTARERQSA-N 1 0 388.472 0.939 20 5 GCBDRO 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 1201931427 /nfs/dbraw/zinc/93/14/27/1201931427.db2.gz JAUCMGDSEWAJQB-BMQFZULRSA-N 1 0 377.445 0.827 20 5 GCBDRO CS(=O)(=O)N1CCOCC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025359 1201931712 /nfs/dbraw/zinc/93/17/12/1201931712.db2.gz TXTXFOTVUADPQZ-LSDHHAIUSA-N 1 0 375.491 0.806 20 5 GCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C1 ZINC000768462325 1202017555 /nfs/dbraw/zinc/01/75/55/1202017555.db2.gz AHZFYYAYRUYRQS-LBPRGKRZSA-N 1 0 397.388 0.138 20 5 GCBDRO CN1CCN(CC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000771565599 1202149700 /nfs/dbraw/zinc/14/97/00/1202149700.db2.gz DWEYTXYZBBMPBE-UHFFFAOYSA-N 1 0 376.461 0.533 20 5 GCBDRO COC(=O)Nc1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000788069534 1205413592 /nfs/dbraw/zinc/41/35/92/1205413592.db2.gz AAGJWBYPVQEUTN-UHFFFAOYSA-N 1 0 390.418 0.630 20 5 GCBDRO C[C@H](CN1CCOCC1)N(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000788377690 1205421034 /nfs/dbraw/zinc/42/10/34/1205421034.db2.gz OGHLVERBWFMSQN-CQSZACIVSA-N 1 0 391.428 0.973 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@@H+]1C ZINC000806039934 1205549376 /nfs/dbraw/zinc/54/93/76/1205549376.db2.gz HUVPUEKCUUJGOK-GJZGRUSLSA-N 1 0 389.456 0.842 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[N@@H+]1C ZINC000806039936 1205549549 /nfs/dbraw/zinc/54/95/49/1205549549.db2.gz HUVPUEKCUUJGOK-LSDHHAIUSA-N 1 0 389.456 0.842 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341725 1205561072 /nfs/dbraw/zinc/56/10/72/1205561072.db2.gz IBFJUGMVWIRKLW-ZIAGYGMSSA-N 1 0 390.396 0.300 20 5 GCBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)C1=O ZINC000808139029 1205599899 /nfs/dbraw/zinc/59/98/99/1205599899.db2.gz OUMSDTNMVPTIOD-CQSZACIVSA-N 1 0 379.392 0.741 20 5 GCBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001132976403 1205655145 /nfs/dbraw/zinc/65/51/45/1205655145.db2.gz CUYARKCMRXHFOO-SFHVURJKSA-N 1 0 395.412 0.801 20 5 GCBDRO CCO[C@H](CNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)C[NH+](C)C ZINC001133575283 1205671979 /nfs/dbraw/zinc/67/19/79/1205671979.db2.gz UHGCTBOHWVNWAO-OAHLLOKOSA-N 1 0 376.417 0.931 20 5 GCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172324 1205673724 /nfs/dbraw/zinc/67/37/24/1205673724.db2.gz IYTWCKIGASXNSU-ZDUSSCGKSA-N 1 0 376.329 0.912 20 5 GCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001133923522 1205680499 /nfs/dbraw/zinc/68/04/99/1205680499.db2.gz OWHSSCOLDDRQLF-ZBFHGGJFSA-N 1 0 396.469 0.958 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C2CC(CO)(CO)C2)CC1 ZINC001173691873 1205726326 /nfs/dbraw/zinc/72/63/26/1205726326.db2.gz SGWSFMDZQRSGMI-UHFFFAOYSA-N 1 0 399.469 0.471 20 5 GCBDRO CC(C)[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(N)=O ZINC001173690956 1205726403 /nfs/dbraw/zinc/72/64/03/1205726403.db2.gz FNWNOZTZGRICBZ-HNNXBMFYSA-N 1 0 384.458 0.847 20 5 GCBDRO O=C1CC[C@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 ZINC001173692195 1205726456 /nfs/dbraw/zinc/72/64/56/1205726456.db2.gz GHPVOQQFKPNJQT-CYBMUJFWSA-N 1 0 382.442 0.616 20 5 GCBDRO O=C1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC001173691986 1205726522 /nfs/dbraw/zinc/72/65/22/1205726522.db2.gz YFWIJLFILBAOKL-CYBMUJFWSA-N 1 0 382.442 0.616 20 5 GCBDRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173694386 1205726541 /nfs/dbraw/zinc/72/65/41/1205726541.db2.gz OFZVDTBTQVBPBH-OAHLLOKOSA-N 1 0 396.469 0.958 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173697862 1205726546 /nfs/dbraw/zinc/72/65/46/1205726546.db2.gz WPFHMGCMICJMTQ-ZDUSSCGKSA-N 1 0 396.469 0.945 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001173697947 1205726613 /nfs/dbraw/zinc/72/66/13/1205726613.db2.gz XPGFJMNLBYKOLF-XJKSGUPXSA-N 1 0 399.469 0.423 20 5 GCBDRO COC(=O)C1CN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173697675 1205726678 /nfs/dbraw/zinc/72/66/78/1205726678.db2.gz UXEHIHJDUNIINJ-UHFFFAOYSA-N 1 0 383.426 0.853 20 5 GCBDRO CC(=O)N1CC([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173694498 1205726682 /nfs/dbraw/zinc/72/66/82/1205726682.db2.gz RLJAHBHDFYRGGX-UHFFFAOYSA-N 1 0 382.442 0.568 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001173697938 1205726729 /nfs/dbraw/zinc/72/67/29/1205726729.db2.gz XPGFJMNLBYKOLF-BBRMVZONSA-N 1 0 399.469 0.423 20 5 GCBDRO C[C@@]1(O)COCC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695585 1205726768 /nfs/dbraw/zinc/72/67/68/1205726768.db2.gz HORKZCHLHWPGKU-KRWDZBQOSA-N 1 0 399.469 0.831 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001173697946 1205726781 /nfs/dbraw/zinc/72/67/81/1205726781.db2.gz XPGFJMNLBYKOLF-CZUORRHYSA-N 1 0 399.469 0.423 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC001175716355 1205740402 /nfs/dbraw/zinc/74/04/02/1205740402.db2.gz UCJWRJYMHUEVIQ-HNNXBMFYSA-N 1 0 383.401 0.988 20 5 GCBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001175934201 1205742623 /nfs/dbraw/zinc/74/26/23/1205742623.db2.gz WPNXHQDQWSTNGD-CQSZACIVSA-N 1 0 394.476 0.968 20 5 GCBDRO COc1cc(C[NH2+]CCC(=O)N2CCN(C(C)=O)CC2)c([N+](=O)[O-])cc1O ZINC001177688514 1205774584 /nfs/dbraw/zinc/77/45/84/1205774584.db2.gz YVSYCJUUZRQGLA-UHFFFAOYSA-N 1 0 380.401 0.479 20 5 GCBDRO O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052603 1205817436 /nfs/dbraw/zinc/81/74/36/1205817436.db2.gz BWVQQOZAYHDSCW-HOTGVXAUSA-N 1 0 391.428 0.774 20 5 GCBDRO C[NH+]1CCN(c2ccc(CCNC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC001181654498 1205848459 /nfs/dbraw/zinc/84/84/59/1205848459.db2.gz SQXLUNAYFRMXRA-UHFFFAOYSA-N 1 0 399.451 0.867 20 5 GCBDRO COc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1[N+](=O)[O-] ZINC001164748886 720948734 /nfs/dbraw/zinc/94/87/34/720948734.db2.gz FFFUCKILJJDMAP-UHFFFAOYSA-N 1 0 390.400 0.841 20 5 GCBDRO Cc1ncc([N+](=O)[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164748617 720952909 /nfs/dbraw/zinc/95/29/09/720952909.db2.gz AYKIIXITTAJRDW-UHFFFAOYSA-N 1 0 375.389 0.535 20 5 GCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967938 722077659 /nfs/dbraw/zinc/07/76/59/722077659.db2.gz NAHSKYGWNIWBBC-OKILXGFUSA-N 1 0 376.417 0.951 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000577860421 530122254 /nfs/dbraw/zinc/12/22/54/530122254.db2.gz CGEMFPHNQJOMQQ-LBPRGKRZSA-N 1 0 376.456 0.783 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261918190 530194395 /nfs/dbraw/zinc/19/43/95/530194395.db2.gz YJPAOZZTMRUPCE-LBPRGKRZSA-N 1 0 382.364 0.709 20 5 GCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599110945 530160115 /nfs/dbraw/zinc/16/01/15/530160115.db2.gz HTGUDNGIRPNLLQ-UHFFFAOYSA-N 1 0 382.236 0.953 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CC[S@](=O)C2)c([N+](=O)[O-])c1 ZINC000433438848 530212907 /nfs/dbraw/zinc/21/29/07/530212907.db2.gz FBSLCGVUETYDDV-JNDILOIQSA-N 1 0 390.487 0.368 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000613012907 530271969 /nfs/dbraw/zinc/27/19/69/530271969.db2.gz URPZTNYSCNSARX-LBPRGKRZSA-N 1 0 394.247 0.702 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000161518450 530314946 /nfs/dbraw/zinc/31/49/46/530314946.db2.gz KKBHXCWFOIXUTH-GFCCVEGCSA-N 1 0 396.263 0.948 20 5 GCBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000570445125 530319731 /nfs/dbraw/zinc/31/97/31/530319731.db2.gz XQXMUAVJCQTNPW-GFCCVEGCSA-N 1 0 391.471 0.240 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000570718708 530324023 /nfs/dbraw/zinc/32/40/23/530324023.db2.gz AAWLQYMNJNUBIV-LLVKDONJSA-N 1 0 393.263 0.539 20 5 GCBDRO CS(=O)(=O)CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000583079512 530333704 /nfs/dbraw/zinc/33/37/04/530333704.db2.gz XOOKZTJUMDDPIQ-UHFFFAOYSA-N 1 0 376.456 0.783 20 5 GCBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563441503 530349389 /nfs/dbraw/zinc/34/93/89/530349389.db2.gz LTHOVLZULHSCGD-JOYOIKCWSA-N 1 0 388.833 0.489 20 5 GCBDRO COCCCS(=O)(=O)NCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365817695 530376093 /nfs/dbraw/zinc/37/60/93/530376093.db2.gz CFDJIYUITMDYPL-UHFFFAOYSA-N 1 0 375.451 0.384 20 5 GCBDRO CCn1c(CC[NH3+])nnc1Sc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000267156986 530572778 /nfs/dbraw/zinc/57/27/78/530572778.db2.gz XYDBRDHXXKIESQ-UHFFFAOYSA-N 1 0 386.459 0.767 20 5 GCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899347 530603581 /nfs/dbraw/zinc/60/35/81/530603581.db2.gz UHOZNIOVFCZGQG-WCQYABFASA-N 1 0 397.229 0.670 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000545160339 530653248 /nfs/dbraw/zinc/65/32/48/530653248.db2.gz QBPNZEBIVRCWSV-GFCCVEGCSA-N 1 0 394.247 0.702 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000440844125 530695939 /nfs/dbraw/zinc/69/59/39/530695939.db2.gz IBHKPRQXEYYBBQ-VHSXEESVSA-N 1 0 377.394 0.869 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000546574332 530695979 /nfs/dbraw/zinc/69/59/79/530695979.db2.gz KZOYWETVGKMMFU-LBPRGKRZSA-N 1 0 383.348 0.959 20 5 GCBDRO CSCC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269058798 530696218 /nfs/dbraw/zinc/69/62/18/530696218.db2.gz UEXYFXWVRMCMIR-GFCCVEGCSA-N 1 0 376.460 0.070 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCN2CCCS2(=O)=O)cc1 ZINC000591732559 530727577 /nfs/dbraw/zinc/72/75/77/530727577.db2.gz QPFWRJXCEPXWEH-UHFFFAOYSA-N 1 0 391.471 0.384 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592393236 530766521 /nfs/dbraw/zinc/76/65/21/530766521.db2.gz ZXXUJPJWGCXWGM-JTQLQIEISA-N 1 0 382.364 0.796 20 5 GCBDRO C[C@@H](C[S@@](C)=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000273098259 530801025 /nfs/dbraw/zinc/80/10/25/530801025.db2.gz DUFRBINPSSDTDA-APXPCNQMSA-N 1 0 392.503 0.614 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000275053964 530801932 /nfs/dbraw/zinc/80/19/32/530801932.db2.gz IGGMWZRAKJQELO-UHFFFAOYSA-N 1 0 377.394 0.478 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000592982743 530789495 /nfs/dbraw/zinc/78/94/95/530789495.db2.gz HFQHEAXVIURCIM-JTQLQIEISA-N 1 0 393.263 0.621 20 5 GCBDRO NC(=O)c1csc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000532681154 530899082 /nfs/dbraw/zinc/89/90/82/530899082.db2.gz ZNXLEKLDIZQJDM-UHFFFAOYSA-N 1 0 384.439 0.823 20 5 GCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000373484098 530894003 /nfs/dbraw/zinc/89/40/03/530894003.db2.gz MYEJWBCUKPRJCF-VIFPVBQESA-N 1 0 380.220 0.706 20 5 GCBDRO Cc1sc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000467391564 530915358 /nfs/dbraw/zinc/91/53/58/530915358.db2.gz CBHCTMQJVDBOFH-NSHDSACASA-N 1 0 390.487 0.830 20 5 GCBDRO CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)CC1 ZINC000736863352 598499546 /nfs/dbraw/zinc/49/95/46/598499546.db2.gz JHDAOSAMNOMTFF-UHFFFAOYSA-N 1 0 387.448 0.634 20 5 GCBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736745686 598593245 /nfs/dbraw/zinc/59/32/45/598593245.db2.gz ARHIBSOQVFQTIS-UHFFFAOYSA-N 1 0 375.393 0.134 20 5 GCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000822472646 606700966 /nfs/dbraw/zinc/70/09/66/606700966.db2.gz WFBMRTRILMFXTG-UHFFFAOYSA-N 1 0 375.397 0.150 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000822860321 606707662 /nfs/dbraw/zinc/70/76/62/606707662.db2.gz RGNPENRLUHUJLT-SNVBAGLBSA-N 1 0 375.393 0.169 20 5 GCBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820480301 606707987 /nfs/dbraw/zinc/70/79/87/606707987.db2.gz IQPCDKQLPXIIBC-NSHDSACASA-N 1 0 376.421 0.699 20 5 GCBDRO Cn1c(Sc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000822604539 606711223 /nfs/dbraw/zinc/71/12/23/606711223.db2.gz HALYUELHPZENOX-QMMMGPOBSA-N 1 0 388.417 0.917 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H](C[NH3+])C1 ZINC000124985773 638630471 /nfs/dbraw/zinc/63/04/71/638630471.db2.gz FRAUCWJXOOQMDN-SECBINFHSA-N 1 0 393.263 0.621 20 5 GCBDRO CN(CC(=O)NCC[N@H+](C)CCO)c1cc(Br)ccc1[N+](=O)[O-] ZINC000899738119 639273201 /nfs/dbraw/zinc/27/32/01/639273201.db2.gz SBGZJTTVHUJUSC-UHFFFAOYSA-N 1 0 389.250 0.834 20 5 GCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1 ZINC000819032339 641926211 /nfs/dbraw/zinc/92/62/11/641926211.db2.gz BTCHNWKCPCVPSS-AWEZNQCLSA-N 1 0 375.472 0.596 20 5 GCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193363712 642058363 /nfs/dbraw/zinc/05/83/63/642058363.db2.gz PDVUAWGEAUIFAP-UHFFFAOYSA-N 1 0 382.236 0.872 20 5 GCBDRO CN(CC[NH3+])C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841276012 642293462 /nfs/dbraw/zinc/29/34/62/642293462.db2.gz NDIXHBLEVILKFT-UHFFFAOYSA-N 1 0 392.153 0.555 20 5 GCBDRO COC(=O)Nc1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000858633509 642964141 /nfs/dbraw/zinc/96/41/41/642964141.db2.gz UWLUIQSLQBNFJD-UHFFFAOYSA-N 1 0 376.391 0.417 20 5 GCBDRO NC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000541635980 1192184387 /nfs/dbraw/zinc/18/43/87/1192184387.db2.gz ZVSFEKKVFOQXBA-OAHLLOKOSA-N 1 0 385.442 0.629 20 5 GCBDRO CN1CC[N@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000511937551 1192216998 /nfs/dbraw/zinc/21/69/98/1192216998.db2.gz HKWAITCAMAEACM-MRXNPFEDSA-N 1 0 387.444 0.681 20 5 GCBDRO CC[NH+]1CCN(CCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264916976 1192265583 /nfs/dbraw/zinc/26/55/83/1192265583.db2.gz ORENZADAYVELRE-UHFFFAOYSA-N 1 0 395.485 0.540 20 5 GCBDRO CN(CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424032199 1192266123 /nfs/dbraw/zinc/26/61/23/1192266123.db2.gz VAGZLLCLWNFQOV-INIZCTEOSA-N 1 0 382.442 0.570 20 5 GCBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568742926 1192332444 /nfs/dbraw/zinc/33/24/44/1192332444.db2.gz XUTZSHOGOGSWHF-AWEZNQCLSA-N 1 0 392.412 0.789 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC001167837719 1192415430 /nfs/dbraw/zinc/41/54/30/1192415430.db2.gz RJYFIUZBQOEHFC-UHFFFAOYSA-N 1 0 398.441 0.880 20 5 GCBDRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000570912089 1192438905 /nfs/dbraw/zinc/43/89/05/1192438905.db2.gz HXIQQAMGJANLPV-UHFFFAOYSA-N 1 0 399.473 0.610 20 5 GCBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000512133070 1192467351 /nfs/dbraw/zinc/46/73/51/1192467351.db2.gz XPEFYLVCKGJUQJ-VXGBXAGGSA-N 1 0 399.473 0.595 20 5 GCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000126015698 1192501736 /nfs/dbraw/zinc/50/17/36/1192501736.db2.gz XUQKFWRIHWOACQ-UHFFFAOYSA-N 1 0 380.449 0.685 20 5 GCBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418717649 1192634338 /nfs/dbraw/zinc/63/43/38/1192634338.db2.gz ZVMLYZJNOSNZSS-ZDUSSCGKSA-N 1 0 399.473 0.738 20 5 GCBDRO CO[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000418820535 1192657969 /nfs/dbraw/zinc/65/79/69/1192657969.db2.gz WBIWHJNDBPOIAE-KGLIPLIRSA-N 1 0 398.847 0.872 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000418957491 1192699783 /nfs/dbraw/zinc/69/97/83/1192699783.db2.gz ZVQNHYMFBBXYQE-BFHYXJOUSA-N 1 0 376.413 0.805 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000500696876 1192710908 /nfs/dbraw/zinc/71/09/08/1192710908.db2.gz SXWHYVCQLODLQQ-OAHLLOKOSA-N 1 0 398.485 0.644 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000419023358 1192724202 /nfs/dbraw/zinc/72/42/02/1192724202.db2.gz LXHBBYAEQGSOSB-LLVKDONJSA-N 1 0 380.401 0.091 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000419024840 1192727534 /nfs/dbraw/zinc/72/75/34/1192727534.db2.gz NLBDHBWRQGCMNA-LBPRGKRZSA-N 1 0 380.401 0.124 20 5 GCBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000573701974 1192910826 /nfs/dbraw/zinc/91/08/26/1192910826.db2.gz ZTBMXNFTGLAFAK-MRXNPFEDSA-N 1 0 398.423 0.455 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCCC(=O)N2)c([N+](=O)[O-])c1 ZINC000432931933 1192912581 /nfs/dbraw/zinc/91/25/81/1192912581.db2.gz FSMDIYKBYPTZAP-GFCCVEGCSA-N 1 0 399.473 0.515 20 5 GCBDRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+](C)C1CC1 ZINC000557565283 1184083723 /nfs/dbraw/zinc/08/37/23/1184083723.db2.gz YTBFKWGXYKAKIN-CQSZACIVSA-N 1 0 389.456 0.842 20 5 GCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000274556367 1184098101 /nfs/dbraw/zinc/09/81/01/1184098101.db2.gz IHHMUMIPXMCJFJ-ZDUSSCGKSA-N 1 0 386.474 0.908 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452272 1184164467 /nfs/dbraw/zinc/16/44/67/1184164467.db2.gz IHBDWXGWPQLNSM-GUYCJALGSA-N 1 0 390.440 0.771 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000274814111 1184390868 /nfs/dbraw/zinc/39/08/68/1184390868.db2.gz RGLFHLDBYAJARL-ZBFHGGJFSA-N 1 0 376.413 0.694 20 5 GCBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H](O)[C@@H]([NH3+])C3)c2c1C ZINC001167089425 1184425185 /nfs/dbraw/zinc/42/51/85/1184425185.db2.gz GSPVJHYESOEKOW-WDEREUQCSA-N 1 0 389.441 0.969 20 5 GCBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000154919085 1184501173 /nfs/dbraw/zinc/50/11/73/1184501173.db2.gz AMQWJLOSNBOHAI-UHFFFAOYSA-N 1 0 391.472 0.809 20 5 GCBDRO CCc1n[nH]c(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000275110742 1184518494 /nfs/dbraw/zinc/51/84/94/1184518494.db2.gz KNJCNEQBSPZXHV-NSHDSACASA-N 1 0 387.462 0.461 20 5 GCBDRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000559292787 1184558585 /nfs/dbraw/zinc/55/85/85/1184558585.db2.gz NFXSLABCAUHZBS-OAHLLOKOSA-N 1 0 387.458 0.738 20 5 GCBDRO CCN1CC[NH+](CCCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000274500272 1184673433 /nfs/dbraw/zinc/67/34/33/1184673433.db2.gz HWZGZSRZPGXUSL-UHFFFAOYSA-N 1 0 391.472 0.859 20 5 GCBDRO O=C(C[N@@H+](CCO)C1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275455994 1184675299 /nfs/dbraw/zinc/67/52/99/1184675299.db2.gz BJRVPBSEDIJABL-UHFFFAOYSA-N 1 0 392.456 0.717 20 5 GCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000275464037 1184678911 /nfs/dbraw/zinc/67/89/11/1184678911.db2.gz QDRUYNYGEYIQEB-CYBMUJFWSA-N 1 0 378.429 0.628 20 5 GCBDRO O=c1n(CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc2n1CCCC2 ZINC000579943126 1184794576 /nfs/dbraw/zinc/79/45/76/1184794576.db2.gz CADBEUREAANMDB-OAHLLOKOSA-N 1 0 391.428 0.709 20 5 GCBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580307618 1185149092 /nfs/dbraw/zinc/14/90/92/1185149092.db2.gz YIXCSTQWBFPDQE-SWLSCSKDSA-N 1 0 382.442 0.426 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000579580861 1185200526 /nfs/dbraw/zinc/20/05/26/1185200526.db2.gz UDVJGFUIRSDKSZ-AWEZNQCLSA-N 1 0 390.444 0.226 20 5 GCBDRO [NH3+][C@@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000261698916 1185234991 /nfs/dbraw/zinc/23/49/91/1185234991.db2.gz HZCSVDPPJSQENM-MRXNPFEDSA-N 1 0 376.413 0.633 20 5 GCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261703919 1185238502 /nfs/dbraw/zinc/23/85/02/1185238502.db2.gz BPAGZMJCUITNEE-ZDUSSCGKSA-N 1 0 376.335 0.926 20 5 GCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261777726 1185256366 /nfs/dbraw/zinc/25/63/66/1185256366.db2.gz HEBVFQPFRWNXQG-HIFRSBDPSA-N 1 0 378.433 0.288 20 5 GCBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261864305 1185278819 /nfs/dbraw/zinc/27/88/19/1185278819.db2.gz SMRJDDRIOUISDI-CYBMUJFWSA-N 1 0 396.391 0.850 20 5 GCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261977623 1185297907 /nfs/dbraw/zinc/29/79/07/1185297907.db2.gz LYJLFNUVWPLAQU-ZDUSSCGKSA-N 1 0 375.351 0.959 20 5 GCBDRO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000262004506 1185304210 /nfs/dbraw/zinc/30/42/10/1185304210.db2.gz IAZWYXHKLWRHIX-KGLIPLIRSA-N 1 0 396.469 0.816 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000579835576 1185342294 /nfs/dbraw/zinc/34/22/94/1185342294.db2.gz GUMYWLSIPBEFIJ-CWRNSKLLSA-N 1 0 375.429 0.980 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262236108 1185537433 /nfs/dbraw/zinc/53/74/33/1185537433.db2.gz HJXNOISYEMBVKV-LLVKDONJSA-N 1 0 388.421 0.411 20 5 GCBDRO C[NH+](C)CCOc1cnccc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000581283402 1185569400 /nfs/dbraw/zinc/56/94/00/1185569400.db2.gz XQLLLYOVWVDQNY-UHFFFAOYSA-N 1 0 375.385 0.408 20 5 GCBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426859 1185673022 /nfs/dbraw/zinc/67/30/22/1185673022.db2.gz GOMRHNSEGUVSIU-GFCCVEGCSA-N 1 0 382.442 0.765 20 5 GCBDRO C[NH2+]CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000262241911 1185708779 /nfs/dbraw/zinc/70/87/79/1185708779.db2.gz RNUXCTRRASWRAT-UHFFFAOYSA-N 1 0 386.430 0.046 20 5 GCBDRO COC[C@]1(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]1 ZINC000262339729 1185774216 /nfs/dbraw/zinc/77/42/16/1185774216.db2.gz SPYFSPCZWPHYRK-OAHLLOKOSA-N 1 0 387.414 0.413 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430638742 1185843150 /nfs/dbraw/zinc/84/31/50/1185843150.db2.gz DGXMLFNQUYBZLN-OAHLLOKOSA-N 1 0 389.456 0.986 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000581725339 1185867093 /nfs/dbraw/zinc/86/70/93/1185867093.db2.gz IJDSAWTXFYXLOK-VXGBXAGGSA-N 1 0 382.442 0.756 20 5 GCBDRO COC(=O)c1cnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000276857948 1186125634 /nfs/dbraw/zinc/12/56/34/1186125634.db2.gz YTOSJUMPKWZFOP-ZDUSSCGKSA-N 1 0 377.401 0.519 20 5 GCBDRO [NH3+]CCc1nc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000262391653 1186256897 /nfs/dbraw/zinc/25/68/97/1186256897.db2.gz PNYXSDCSNVXILC-UHFFFAOYSA-N 1 0 399.454 0.261 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000262532080 1186304608 /nfs/dbraw/zinc/30/46/08/1186304608.db2.gz PGSTWPJCBVIGQF-CYBMUJFWSA-N 1 0 398.441 0.188 20 5 GCBDRO CC[N@H+]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000582072339 1186397223 /nfs/dbraw/zinc/39/72/23/1186397223.db2.gz UISOPVKRCIXSPJ-BETUJISGSA-N 1 0 384.458 0.814 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000450922302 1186410028 /nfs/dbraw/zinc/41/00/28/1186410028.db2.gz CJPWFRSIWSOKID-NWDGAFQWSA-N 1 0 399.473 0.501 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCN2CCCC2=O)c([N+](=O)[O-])c1 ZINC000563245029 1186410193 /nfs/dbraw/zinc/41/01/93/1186410193.db2.gz JHSJCIGBEXFAOZ-UHFFFAOYSA-N 1 0 399.473 0.469 20 5 GCBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000431376955 1186477476 /nfs/dbraw/zinc/47/74/76/1186477476.db2.gz GXSWODIZMCAWRN-INIZCTEOSA-N 1 0 386.836 0.797 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000127504924 1186509522 /nfs/dbraw/zinc/50/95/22/1186509522.db2.gz AQIQRLAKYHOXGQ-MRXNPFEDSA-N 1 0 375.429 0.406 20 5 GCBDRO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277686845 1186563639 /nfs/dbraw/zinc/56/36/39/1186563639.db2.gz GVQWXSJXHWIGMC-LESCRADOSA-N 1 0 376.413 0.776 20 5 GCBDRO CN1CCC[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1=O ZINC000479469913 1186571180 /nfs/dbraw/zinc/57/11/80/1186571180.db2.gz XMRWMQFWAAEVTD-AWEZNQCLSA-N 1 0 399.473 0.467 20 5 GCBDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000582715680 1186623125 /nfs/dbraw/zinc/62/31/25/1186623125.db2.gz KJDQIOHRTXKKFV-CQSZACIVSA-N 1 0 390.444 0.144 20 5 GCBDRO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582725423 1186626770 /nfs/dbraw/zinc/62/67/70/1186626770.db2.gz UZQGYBSKFRDHDE-WFASDCNBSA-N 1 0 384.458 0.992 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001648917234 1186638494 /nfs/dbraw/zinc/63/84/94/1186638494.db2.gz CRDRTOBIAUUESL-VBNZEHGJSA-N 1 0 396.469 0.720 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001648917233 1186638723 /nfs/dbraw/zinc/63/87/23/1186638723.db2.gz CRDRTOBIAUUESL-RCBQFDQVSA-N 1 0 396.469 0.720 20 5 GCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000611835969 1186656150 /nfs/dbraw/zinc/65/61/50/1186656150.db2.gz DKIJHAURCHHDCW-HNNXBMFYSA-N 1 0 378.429 0.860 20 5 GCBDRO 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CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000052694552 1186963784 /nfs/dbraw/zinc/96/37/84/1186963784.db2.gz KDNSJUKOYAYPOV-ZFWWWQNUSA-N 1 0 387.458 0.596 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000584064579 1186992877 /nfs/dbraw/zinc/99/28/77/1186992877.db2.gz HQKJIUDSUUWNBW-GMXVVIOVSA-N 1 0 377.401 0.174 20 5 GCBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000262782277 1187025185 /nfs/dbraw/zinc/02/51/85/1187025185.db2.gz ZNSXEZTYKBETRD-CYBMUJFWSA-N 1 0 384.458 0.687 20 5 GCBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000431568712 1187100846 /nfs/dbraw/zinc/10/08/46/1187100846.db2.gz DUAGJVDNXBGOPG-UHFFFAOYSA-N 1 0 394.476 0.924 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375778483 1187149130 /nfs/dbraw/zinc/14/91/30/1187149130.db2.gz STSKTVROZCXHCA-GDBMZVCRSA-N 1 0 384.458 0.538 20 5 GCBDRO 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415714622 1188147949 /nfs/dbraw/zinc/14/79/49/1188147949.db2.gz UMMNZGJXBSSOGZ-CQSZACIVSA-N 1 0 391.428 0.438 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415714617 1188148013 /nfs/dbraw/zinc/14/80/13/1188148013.db2.gz UMMNZGJXBSSOGZ-AWEZNQCLSA-N 1 0 391.428 0.438 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415721831 1188151020 /nfs/dbraw/zinc/15/10/20/1188151020.db2.gz GYXKBTDHMOTQGL-OAHLLOKOSA-N 1 0 375.429 0.602 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415721828 1188151067 /nfs/dbraw/zinc/15/10/67/1188151067.db2.gz GYXKBTDHMOTQGL-HNNXBMFYSA-N 1 0 375.429 0.602 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415771919 1188161010 /nfs/dbraw/zinc/16/10/10/1188161010.db2.gz SEJBANJTFMSOMY-AAEUAGOBSA-N 1 0 390.396 0.839 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415771925 1188161259 /nfs/dbraw/zinc/16/12/59/1188161259.db2.gz SEJBANJTFMSOMY-YPMHNXCESA-N 1 0 390.396 0.839 20 5 GCBDRO C[C@@]1(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000377905085 1189368210 /nfs/dbraw/zinc/36/82/10/1189368210.db2.gz JBKOSKFNEWZMNG-KSSFIOAISA-N 1 0 392.412 0.645 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415866196 1189391695 /nfs/dbraw/zinc/39/16/95/1189391695.db2.gz BNQPUFWRWRGCFN-WCQYABFASA-N 1 0 390.396 0.696 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000416027642 1189414929 /nfs/dbraw/zinc/41/49/29/1189414929.db2.gz JFLOPTSXCKCPDC-NSHDSACASA-N 1 0 398.363 0.947 20 5 GCBDRO O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@@]1(F)CC[NH2+]C1 ZINC000378209614 1189443712 /nfs/dbraw/zinc/44/37/12/1189443712.db2.gz APFNUTHIYMFVNS-OAHLLOKOSA-N 1 0 386.405 0.129 20 5 GCBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)CN1CCO ZINC000416314167 1189488160 /nfs/dbraw/zinc/48/81/60/1189488160.db2.gz SLWQIIJWGDUFLG-CHWSQXEVSA-N 1 0 379.413 0.822 20 5 GCBDRO NC(=O)c1cc(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)ccn1 ZINC000378376910 1189492619 /nfs/dbraw/zinc/49/26/19/1189492619.db2.gz AVQKZQRRQFNIGJ-CYBMUJFWSA-N 1 0 390.400 0.190 20 5 GCBDRO O=C(CN1CCC(O)(C[NH+]2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000378435312 1189505756 /nfs/dbraw/zinc/50/57/56/1189505756.db2.gz WSIJTHZFCBVJAX-UHFFFAOYSA-N 1 0 378.429 0.692 20 5 GCBDRO COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000363905982 1189566240 /nfs/dbraw/zinc/56/62/40/1189566240.db2.gz GPNVKRXGONVGDS-OLZOCXBDSA-N 1 0 391.384 0.660 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417277146 1189637925 /nfs/dbraw/zinc/63/79/25/1189637925.db2.gz FUMZKBSZBNCRKA-VXGBXAGGSA-N 1 0 385.446 0.300 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417281251 1189639359 /nfs/dbraw/zinc/63/93/59/1189639359.db2.gz MYSQUQMDGALCEY-NWDGAFQWSA-N 1 0 385.446 0.313 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000417284976 1189640321 /nfs/dbraw/zinc/64/03/21/1189640321.db2.gz TYNZOPFJTYWIMJ-NSHDSACASA-N 1 0 395.388 0.155 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000417279266 1189640783 /nfs/dbraw/zinc/64/07/83/1189640783.db2.gz IKPVYBLCKAGZLR-SMDDNHRTSA-N 1 0 385.446 0.252 20 5 GCBDRO CCCN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000417280508 1189641607 /nfs/dbraw/zinc/64/16/07/1189641607.db2.gz KWFOXWWEMULPMA-CQSZACIVSA-N 1 0 399.473 0.657 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000417301194 1189641619 /nfs/dbraw/zinc/64/16/19/1189641619.db2.gz ADPKMFZTSXJGST-FZMZJTMJSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417301922 1189641620 /nfs/dbraw/zinc/64/16/20/1189641620.db2.gz AVDIQLUNRRYCNB-QWHCGFSZSA-N 1 0 397.457 0.124 20 5 GCBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417319797 1189645580 /nfs/dbraw/zinc/64/55/80/1189645580.db2.gz IFRSYPBEJOYMPI-ZDUSSCGKSA-N 1 0 399.473 0.705 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417328807 1189645743 /nfs/dbraw/zinc/64/57/43/1189645743.db2.gz SQEYQQZNWBWPHP-QWHCGFSZSA-N 1 0 399.473 0.690 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417319248 1189646760 /nfs/dbraw/zinc/64/67/60/1189646760.db2.gz HJPHCLMMAKPSCJ-LBPRGKRZSA-N 1 0 385.446 0.267 20 5 GCBDRO C[C@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417320117 1189646764 /nfs/dbraw/zinc/64/67/64/1189646764.db2.gz IVQUQQMKGRXKJR-NEPJUHHUSA-N 1 0 385.446 0.265 20 5 GCBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417323033 1189647602 /nfs/dbraw/zinc/64/76/02/1189647602.db2.gz NRFBMJSHUCGKPV-GFCCVEGCSA-N 1 0 387.462 0.546 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCC1=CC[NH2+]CC1 ZINC000417334425 1189648564 /nfs/dbraw/zinc/64/85/64/1189648564.db2.gz ZPMHHOCQUUCETI-UHFFFAOYSA-N 1 0 397.457 0.482 20 5 GCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000417335283 1189649309 /nfs/dbraw/zinc/64/93/09/1189649309.db2.gz GBDZTESUEBDSSZ-STQMWFEESA-N 1 0 399.473 0.560 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]C1 ZINC000417343376 1189650744 /nfs/dbraw/zinc/65/07/44/1189650744.db2.gz QMUIVSPUSJANQD-GFCCVEGCSA-N 1 0 385.446 0.172 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417347456 1189651615 /nfs/dbraw/zinc/65/16/15/1189651615.db2.gz XFFKJODELWFGOJ-NWDGAFQWSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417347457 1189651757 /nfs/dbraw/zinc/65/17/57/1189651757.db2.gz XFFKJODELWFGOJ-RYUDHWBXSA-N 1 0 385.446 0.252 20 5 GCBDRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000584834272 1189686048 /nfs/dbraw/zinc/68/60/48/1189686048.db2.gz HHYBBMKSCZUULY-GDBMZVCRSA-N 1 0 389.412 0.853 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000417679603 1189694648 /nfs/dbraw/zinc/69/46/48/1189694648.db2.gz LVECIFQVWQPAHI-STQMWFEESA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000417674836 1189695133 /nfs/dbraw/zinc/69/51/33/1189695133.db2.gz AXOZZBWUOBBEHE-NEPJUHHUSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417674841 1189695139 /nfs/dbraw/zinc/69/51/39/1189695139.db2.gz AXOZZBWUOBBEHE-NWDGAFQWSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000417675410 1189695330 /nfs/dbraw/zinc/69/53/30/1189695330.db2.gz BWPKEVVYSXWROS-STQMWFEESA-N 1 0 399.473 0.499 20 5 GCBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417678287 1189696157 /nfs/dbraw/zinc/69/61/57/1189696157.db2.gz JLEYQGCTFBRTOX-ZDUSSCGKSA-N 1 0 399.473 0.705 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690732 1189696768 /nfs/dbraw/zinc/69/67/68/1189696768.db2.gz IQQHYALDYAEGAW-NWDGAFQWSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689411 1189696774 /nfs/dbraw/zinc/69/67/74/1189696774.db2.gz GELXBKHFLJHIJJ-NEPJUHHUSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681186 1189697569 /nfs/dbraw/zinc/69/75/69/1189697569.db2.gz PKFMZQSDVIFUAF-OAHLLOKOSA-N 1 0 385.446 0.253 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681583 1189697587 /nfs/dbraw/zinc/69/75/87/1189697587.db2.gz QGMYJHNNPZQCHH-LBPRGKRZSA-N 1 0 385.446 0.267 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000417700793 1189698190 /nfs/dbraw/zinc/69/81/90/1189698190.db2.gz MMGLCTRVWGZXGP-NWDGAFQWSA-N 1 0 385.446 0.252 20 5 GCBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)cc1[N+](=O)[O-] ZINC000566502787 1189698830 /nfs/dbraw/zinc/69/88/30/1189698830.db2.gz ASTWELZULSFUEL-CYBMUJFWSA-N 1 0 384.458 0.687 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418026048 1189712993 /nfs/dbraw/zinc/71/29/93/1189712993.db2.gz VNWCEGPXMVBFKK-QWHCGFSZSA-N 1 0 382.442 0.619 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418361167 1189767857 /nfs/dbraw/zinc/76/78/57/1189767857.db2.gz AJKNGOQUHOWORN-CYBMUJFWSA-N 1 0 399.473 0.466 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947009 1189774372 /nfs/dbraw/zinc/77/43/72/1189774372.db2.gz HUKNNKCOFNLQPD-CABCVRRESA-N 1 0 391.472 0.855 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418395976 1189776329 /nfs/dbraw/zinc/77/63/29/1189776329.db2.gz ZAIBXINORJLWKU-ZDUSSCGKSA-N 1 0 397.457 0.281 20 5 GCBDRO [NH3+]C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000418517885 1189811597 /nfs/dbraw/zinc/81/15/97/1189811597.db2.gz KPCSBAFHOOCZEL-UHFFFAOYSA-N 1 0 397.457 0.492 20 5 GCBDRO [NH3+]C1(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000418530712 1189818371 /nfs/dbraw/zinc/81/83/71/1189818371.db2.gz VLSBLANOXLAYKB-UHFFFAOYSA-N 1 0 397.457 0.492 20 5 GCBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418531079 1189818678 /nfs/dbraw/zinc/81/86/78/1189818678.db2.gz RJQDPOBRCQDIMR-LBPRGKRZSA-N 1 0 399.473 0.567 20 5 GCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC001648928205 1189917105 /nfs/dbraw/zinc/91/71/05/1189917105.db2.gz JLGYTURUWZWYGD-CZUORRHYSA-N 1 0 396.469 0.816 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000106765695 1189936416 /nfs/dbraw/zinc/93/64/16/1189936416.db2.gz ZXOJJBSSEGQHHY-INIZCTEOSA-N 1 0 375.429 0.947 20 5 GCBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000164264411 1189952735 /nfs/dbraw/zinc/95/27/35/1189952735.db2.gz BTUULNGVUJJELE-UHFFFAOYSA-N 1 0 378.433 0.772 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433141332 1193764025 /nfs/dbraw/zinc/76/40/25/1193764025.db2.gz NZSROWDJIXMKNR-HNNXBMFYSA-N 1 0 398.485 0.967 20 5 GCBDRO C[NH+](C)CCn1ccc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000509862945 1193814648 /nfs/dbraw/zinc/81/46/48/1193814648.db2.gz IFVSYDSOTJCYPQ-UHFFFAOYSA-N 1 0 389.416 0.791 20 5 GCBDRO CO[C@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000419348407 1193843912 /nfs/dbraw/zinc/84/39/12/1193843912.db2.gz LGYHKTBGMWZUNX-IRXDYDNUSA-N 1 0 392.456 0.998 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000419357575 1193859244 /nfs/dbraw/zinc/85/92/44/1193859244.db2.gz UKVZNZYKLOICSA-CYZMBNFOSA-N 1 0 386.412 0.673 20 5 GCBDRO CN1CCN(c2cc(N3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)ncn2)CC1=O ZINC000433755114 1193942714 /nfs/dbraw/zinc/94/27/14/1193942714.db2.gz BYKLVMJMJQVPOH-CYBMUJFWSA-N 1 0 398.427 0.749 20 5 GCBDRO CS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000513455216 1193952732 /nfs/dbraw/zinc/95/27/32/1193952732.db2.gz OXTKMPSMKTVSRE-LBPRGKRZSA-N 1 0 398.441 0.068 20 5 GCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513465160 1193953787 /nfs/dbraw/zinc/95/37/87/1193953787.db2.gz KZCOSWFZDCWSLM-UHFFFAOYSA-N 1 0 398.485 0.708 20 5 GCBDRO CS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000513480973 1193955884 /nfs/dbraw/zinc/95/58/84/1193955884.db2.gz MHEJGDCSCFDNIJ-UHFFFAOYSA-N 1 0 385.442 0.575 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419457777 1194033611 /nfs/dbraw/zinc/03/36/11/1194033611.db2.gz AFXRGWMNABRHIR-HIFRSBDPSA-N 1 0 378.433 0.288 20 5 GCBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419793283 1194105179 /nfs/dbraw/zinc/10/51/79/1194105179.db2.gz YWOJDYMIPPSPLA-LBPRGKRZSA-N 1 0 390.318 0.334 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419850601 1194114835 /nfs/dbraw/zinc/11/48/35/1194114835.db2.gz GYSOZOKDLXCXTM-UHFFFAOYSA-N 1 0 389.456 0.497 20 5 GCBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419879527 1194131089 /nfs/dbraw/zinc/13/10/89/1194131089.db2.gz YUJVIOVRDDJWGW-UHFFFAOYSA-N 1 0 375.429 0.107 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CCC[NH2+]C1 ZINC000419879642 1194131449 /nfs/dbraw/zinc/13/14/49/1194131449.db2.gz GRSSRKVHGLMFFK-UONOGXRCSA-N 1 0 390.444 0.143 20 5 GCBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419884925 1194132888 /nfs/dbraw/zinc/13/28/88/1194132888.db2.gz AJPLRPQHOFWMSM-ZDUSSCGKSA-N 1 0 376.413 0.833 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000419897074 1194135652 /nfs/dbraw/zinc/13/56/52/1194135652.db2.gz YPORQEZHDCGNLR-CYBMUJFWSA-N 1 0 391.428 0.120 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000419899056 1194136164 /nfs/dbraw/zinc/13/61/64/1194136164.db2.gz QGWRRCMHXJPLOB-KBPBESRZSA-N 1 0 375.429 0.630 20 5 GCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419949134 1194142626 /nfs/dbraw/zinc/14/26/26/1194142626.db2.gz GTSXIWLPFFLPEF-ZDUSSCGKSA-N 1 0 378.433 0.128 20 5 GCBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419986146 1194152922 /nfs/dbraw/zinc/15/29/22/1194152922.db2.gz XGMKUIMZSZXQPA-HNNXBMFYSA-N 1 0 389.456 0.749 20 5 GCBDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420005460 1194156615 /nfs/dbraw/zinc/15/66/15/1194156615.db2.gz PJKMCORYALBJGT-SECBINFHSA-N 1 0 391.350 0.995 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025395 1194158860 /nfs/dbraw/zinc/15/88/60/1194158860.db2.gz BPADHTKCYCYPLH-XHDPSFHLSA-N 1 0 376.413 0.709 20 5 GCBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000420035464 1194161712 /nfs/dbraw/zinc/16/17/12/1194161712.db2.gz IFGRBABRWGBYBO-KRWDZBQOSA-N 1 0 380.401 0.139 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000420062176 1194165021 /nfs/dbraw/zinc/16/50/21/1194165021.db2.gz SQEVPVVERFYKTP-UHFFFAOYSA-N 1 0 393.444 0.496 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420073786 1194173038 /nfs/dbraw/zinc/17/30/38/1194173038.db2.gz YULJQBNWPYTTED-RHSMWYFYSA-N 1 0 389.456 0.877 20 5 GCBDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420079567 1194173772 /nfs/dbraw/zinc/17/37/72/1194173772.db2.gz IFFDMXONOVFEAZ-UHFFFAOYSA-N 1 0 378.433 0.272 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000420142131 1194192989 /nfs/dbraw/zinc/19/29/89/1194192989.db2.gz ZSUQSUJVLDGWMH-UONOGXRCSA-N 1 0 375.429 0.500 20 5 GCBDRO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000501642120 1194217618 /nfs/dbraw/zinc/21/76/18/1194217618.db2.gz DNPFPDPOLBFFNQ-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420267546 1194218603 /nfs/dbraw/zinc/21/86/03/1194218603.db2.gz GWSSKUVFYNCFLA-YPMHNXCESA-N 1 0 379.417 0.202 20 5 GCBDRO COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420253393 1194219330 /nfs/dbraw/zinc/21/93/30/1194219330.db2.gz DMLWEYHUWAKYQV-UBHSHLNASA-N 1 0 376.413 0.932 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000420303510 1194221021 /nfs/dbraw/zinc/22/10/21/1194221021.db2.gz KLYHIOACZHOQTH-CQSZACIVSA-N 1 0 398.485 0.909 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+](C)C1 ZINC000413900549 1194357532 /nfs/dbraw/zinc/35/75/32/1194357532.db2.gz KYXPJXBTFGHSER-CYBMUJFWSA-N 1 0 393.396 0.472 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+](C)C1 ZINC000413900552 1194358011 /nfs/dbraw/zinc/35/80/11/1194358011.db2.gz KYXPJXBTFGHSER-ZDUSSCGKSA-N 1 0 393.396 0.472 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+](C)C1 ZINC000413923593 1194362751 /nfs/dbraw/zinc/36/27/51/1194362751.db2.gz RJSONZHHKHJTKN-AWEZNQCLSA-N 1 0 392.412 0.196 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C12CCC[NH+]1CCC2 ZINC000421995491 1194376606 /nfs/dbraw/zinc/37/66/06/1194376606.db2.gz UOSAOBQORXDBBI-UHFFFAOYSA-N 1 0 396.469 0.960 20 5 GCBDRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261859689 1194534262 /nfs/dbraw/zinc/53/42/62/1194534262.db2.gz NAEGIDUCSLPQTH-BBRMVZONSA-N 1 0 396.469 0.864 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000422923372 1194708287 /nfs/dbraw/zinc/70/82/87/1194708287.db2.gz RUXYWUVPFSBDFP-UHFFFAOYSA-N 1 0 382.442 0.346 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000422939306 1194709860 /nfs/dbraw/zinc/70/98/60/1194709860.db2.gz LVFHBOHYSPHQKR-UHFFFAOYSA-N 1 0 398.441 0.046 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000422988577 1194713282 /nfs/dbraw/zinc/71/32/82/1194713282.db2.gz JHQAUWNHPRUPKX-LSDHHAIUSA-N 1 0 387.440 0.311 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)[NH2+]1 ZINC000422989410 1194713310 /nfs/dbraw/zinc/71/33/10/1194713310.db2.gz LMHPTKAMTLAKIU-OKILXGFUSA-N 1 0 375.429 0.452 20 5 GCBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422994552 1194713525 /nfs/dbraw/zinc/71/35/25/1194713525.db2.gz VQDFBXOAKGGOHO-AWEZNQCLSA-N 1 0 375.429 0.311 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423152266 1194731734 /nfs/dbraw/zinc/73/17/34/1194731734.db2.gz LKQOADCVMMCYFI-ZIAGYGMSSA-N 1 0 375.429 0.439 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000423386728 1194752950 /nfs/dbraw/zinc/75/29/50/1194752950.db2.gz JLYKSWSEIFHODJ-INIZCTEOSA-N 1 0 392.412 0.151 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423582807 1194770429 /nfs/dbraw/zinc/77/04/29/1194770429.db2.gz BCKXTGYOBOSMGV-ZIAGYGMSSA-N 1 0 390.444 0.224 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H]1C[NH3+] ZINC000423597082 1194775075 /nfs/dbraw/zinc/77/50/75/1194775075.db2.gz SRDMNHKQUNOKNV-UONOGXRCSA-N 1 0 390.444 0.082 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H]1C[NH3+] ZINC000423597078 1194775103 /nfs/dbraw/zinc/77/51/03/1194775103.db2.gz SRDMNHKQUNOKNV-KBPBESRZSA-N 1 0 390.444 0.082 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423659643 1194780535 /nfs/dbraw/zinc/78/05/35/1194780535.db2.gz ZRMAIYMYRMKWIG-ZIAGYGMSSA-N 1 0 375.429 0.439 20 5 GCBDRO CCCN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CC[NH2+]C1 ZINC000423668411 1194782555 /nfs/dbraw/zinc/78/25/55/1194782555.db2.gz VSWGJEGMTBRQAS-KRWDZBQOSA-N 1 0 389.456 0.844 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423679983 1194785105 /nfs/dbraw/zinc/78/51/05/1194785105.db2.gz DUEWROIVHWMAAK-UONOGXRCSA-N 1 0 390.444 0.367 20 5 GCBDRO O=C(C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423731418 1194790499 /nfs/dbraw/zinc/79/04/99/1194790499.db2.gz NYBUOKVTMGZTEW-DYVFJYSZSA-N 1 0 388.424 0.785 20 5 GCBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423991950 1194797500 /nfs/dbraw/zinc/79/75/00/1194797500.db2.gz NIDVPSYXYDULMX-CABCVRRESA-N 1 0 396.469 0.551 20 5 GCBDRO C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424013889 1194799040 /nfs/dbraw/zinc/79/90/40/1194799040.db2.gz KYJHJPVNNHVRRW-QWHCGFSZSA-N 1 0 384.458 0.707 20 5 GCBDRO C[C@@H]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424064790 1194800533 /nfs/dbraw/zinc/80/05/33/1194800533.db2.gz DMLYUTXGXCGQPA-FRRDWIJNSA-N 1 0 384.458 0.705 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2[NH3+])cn1 ZINC000424228086 1194806137 /nfs/dbraw/zinc/80/61/37/1194806137.db2.gz RYDWXUZDZMFIDP-UONOGXRCSA-N 1 0 387.396 0.595 20 5 GCBDRO Cc1c(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000424532966 1194819901 /nfs/dbraw/zinc/81/99/01/1194819901.db2.gz YCLIYDJYRCHKIK-LSDHHAIUSA-N 1 0 386.412 0.206 20 5 GCBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000434729122 1194864366 /nfs/dbraw/zinc/86/43/66/1194864366.db2.gz XFZUYQXJWDSBHJ-AEFFLSMTSA-N 1 0 393.440 0.686 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2c[nH]c3nccnc23)c1 ZINC000514697047 1194895757 /nfs/dbraw/zinc/89/57/57/1194895757.db2.gz MVUXAQXOITYSFP-UHFFFAOYSA-N 1 0 376.398 0.886 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1=O ZINC000425320038 1194912775 /nfs/dbraw/zinc/91/27/75/1194912775.db2.gz QLZYABBVNAGHSP-AWEZNQCLSA-N 1 0 394.428 0.512 20 5 GCBDRO Cc1cc(=O)c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000515094427 1194945709 /nfs/dbraw/zinc/94/57/09/1194945709.db2.gz MMFVHRLWFXNFTP-HOCLYGCPSA-N 1 0 387.396 0.196 20 5 GCBDRO O=C(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 ZINC000515346887 1194969661 /nfs/dbraw/zinc/96/96/61/1194969661.db2.gz DHOIGMWZFKWZJE-QGZVFWFLSA-N 1 0 388.428 0.091 20 5 GCBDRO Cn1cc(CN2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000436104786 1194985178 /nfs/dbraw/zinc/98/51/78/1194985178.db2.gz CARQFGGANJBEBM-KRWDZBQOSA-N 1 0 375.429 0.886 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000516862369 1195106301 /nfs/dbraw/zinc/10/63/01/1195106301.db2.gz XXTYKJGRTVCYNI-HNNXBMFYSA-N 1 0 395.437 0.903 20 5 GCBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000517362889 1195175587 /nfs/dbraw/zinc/17/55/87/1195175587.db2.gz CXTCLSLESSZZET-OCCSQVGLSA-N 1 0 396.469 0.645 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000517738148 1195211403 /nfs/dbraw/zinc/21/14/03/1195211403.db2.gz DPHXLEWFFVXDNX-KBPBESRZSA-N 1 0 379.465 0.333 20 5 GCBDRO COc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000517732241 1195212608 /nfs/dbraw/zinc/21/26/08/1195212608.db2.gz VJRDZNOHZDDQSH-UHFFFAOYSA-N 1 0 388.327 0.366 20 5 GCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517953813 1195232262 /nfs/dbraw/zinc/23/22/62/1195232262.db2.gz VGJJNCMPOFQANL-CQSZACIVSA-N 1 0 384.458 0.864 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCCOCC1 ZINC000438693117 1195239059 /nfs/dbraw/zinc/23/90/59/1195239059.db2.gz MJSIRBTVNUGTNB-UHFFFAOYSA-N 1 0 379.417 0.233 20 5 GCBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000426184581 1195255868 /nfs/dbraw/zinc/25/58/68/1195255868.db2.gz UDONQXGLGYROCP-ZDUSSCGKSA-N 1 0 398.441 0.906 20 5 GCBDRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000519141612 1195372643 /nfs/dbraw/zinc/37/26/43/1195372643.db2.gz NZVMBLXSNBAYJC-AWEZNQCLSA-N 1 0 387.458 0.596 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000440360837 1195411324 /nfs/dbraw/zinc/41/13/24/1195411324.db2.gz YWWNDSBRRVANJG-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440360851 1195411467 /nfs/dbraw/zinc/41/14/67/1195411467.db2.gz ZPOZGIAFFIXKKO-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519546061 1195427975 /nfs/dbraw/zinc/42/79/75/1195427975.db2.gz XMQDJQYCNWXTDV-ACJLOTCBSA-N 1 0 376.413 0.737 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426883273 1195488764 /nfs/dbraw/zinc/48/87/64/1195488764.db2.gz SBNKLRBIFYFJPO-AWEZNQCLSA-N 1 0 382.442 0.616 20 5 GCBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000427334421 1195528351 /nfs/dbraw/zinc/52/83/51/1195528351.db2.gz ABWGSGSYBVCZMM-CYBMUJFWSA-N 1 0 382.442 0.427 20 5 GCBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000473917993 1195638651 /nfs/dbraw/zinc/63/86/51/1195638651.db2.gz IUSTZVKZPQGKMB-MRXNPFEDSA-N 1 0 378.429 0.894 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000473987962 1195757158 /nfs/dbraw/zinc/75/71/58/1195757158.db2.gz QICCAFDILKVKRP-GFCCVEGCSA-N 1 0 388.398 0.050 20 5 GCBDRO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000280825263 1195797064 /nfs/dbraw/zinc/79/70/64/1195797064.db2.gz SEARTCALWVTUJZ-UHFFFAOYSA-N 1 0 384.458 0.864 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000520712519 1195829987 /nfs/dbraw/zinc/82/99/87/1195829987.db2.gz KCHMJHWIFLRUII-UHFFFAOYSA-N 1 0 394.428 0.248 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000507960254 1195877351 /nfs/dbraw/zinc/87/73/51/1195877351.db2.gz COFYWFGHICWTSM-UHFFFAOYSA-N 1 0 398.485 0.982 20 5 GCBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000520811497 1195922519 /nfs/dbraw/zinc/92/25/19/1195922519.db2.gz KMRWQTKUZLAENP-GHMZBOCLSA-N 1 0 387.414 0.508 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000520810277 1195923647 /nfs/dbraw/zinc/92/36/47/1195923647.db2.gz LHAUZUHDLOQBJH-VBNZEHGJSA-N 1 0 396.469 0.849 20 5 GCBDRO O=C(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000521028391 1195954549 /nfs/dbraw/zinc/95/45/49/1195954549.db2.gz GOHOYXJBYOZPBP-UHFFFAOYSA-N 1 0 390.318 0.698 20 5 GCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000521506650 1195999305 /nfs/dbraw/zinc/99/93/05/1195999305.db2.gz IGJAKRTXOXLDAC-CQSZACIVSA-N 1 0 380.449 0.585 20 5 GCBDRO COc1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000443291633 1196036297 /nfs/dbraw/zinc/03/62/97/1196036297.db2.gz FXXPFQHWIKFESL-ZDUSSCGKSA-N 1 0 387.458 0.975 20 5 GCBDRO COC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]CC1 ZINC000429684930 1196076564 /nfs/dbraw/zinc/07/65/64/1196076564.db2.gz UTWXZXVVQOPHBG-UHFFFAOYSA-N 1 0 382.442 0.709 20 5 GCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCN(CCN4CCOCC4)C3)C2)c1 ZINC000895686022 1196107802 /nfs/dbraw/zinc/10/78/02/1196107802.db2.gz QAMIEONJIKCOOL-GTPINHCMSA-N 1 0 378.477 0.881 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000280867046 1196130134 /nfs/dbraw/zinc/13/01/34/1196130134.db2.gz XONXODUKWOXQOU-UHFFFAOYSA-N 1 0 382.442 0.616 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000281011954 1196270649 /nfs/dbraw/zinc/27/06/49/1196270649.db2.gz FNKXXMRHNNBCNW-UHFFFAOYSA-N 1 0 394.428 0.466 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000281129082 1196279019 /nfs/dbraw/zinc/27/90/19/1196279019.db2.gz TYYQYOMEVZEOSY-BQYQJAHWSA-N 1 0 390.440 0.857 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000522848557 1196352523 /nfs/dbraw/zinc/35/25/23/1196352523.db2.gz LRCLAHDFVNVIOY-OAHLLOKOSA-N 1 0 395.508 0.971 20 5 GCBDRO CN(CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523121471 1196491310 /nfs/dbraw/zinc/49/13/10/1196491310.db2.gz ANCOUTWFJNLHKS-HOTGVXAUSA-N 1 0 396.469 0.958 20 5 GCBDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000523323775 1196514690 /nfs/dbraw/zinc/51/46/90/1196514690.db2.gz JUVYBGQDDWBRIZ-UHFFFAOYSA-N 1 0 394.476 0.734 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523988045 1196570857 /nfs/dbraw/zinc/57/08/57/1196570857.db2.gz OOOQWPSWADPORS-GFCCVEGCSA-N 1 0 397.457 0.409 20 5 GCBDRO CO[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C[NH3+])C1 ZINC000440834949 1196586565 /nfs/dbraw/zinc/58/65/65/1196586565.db2.gz BFUREICIOSCANS-QWRGUYRKSA-N 1 0 387.414 0.493 20 5 GCBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000428419281 1196593113 /nfs/dbraw/zinc/59/31/13/1196593113.db2.gz MGJUUQJSRHDBEW-CJNGLKHVSA-N 1 0 396.469 0.958 20 5 GCBDRO COc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000524419932 1196594196 /nfs/dbraw/zinc/59/41/96/1196594196.db2.gz HVJQFIBSQVSTMZ-CQSZACIVSA-N 1 0 378.429 0.850 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000524650888 1196613253 /nfs/dbraw/zinc/61/32/53/1196613253.db2.gz CGCSZLIDUHKISH-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO C[C@H]1CC[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524720832 1196619102 /nfs/dbraw/zinc/61/91/02/1196619102.db2.gz CTGCXVALSKLONO-ZDUSSCGKSA-N 1 0 384.458 0.721 20 5 GCBDRO CC(C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000525193806 1196657054 /nfs/dbraw/zinc/65/70/54/1196657054.db2.gz SZIXFGSETZQWPL-OAHLLOKOSA-N 1 0 385.490 0.926 20 5 GCBDRO CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000525523131 1196688119 /nfs/dbraw/zinc/68/81/19/1196688119.db2.gz RSIJQJVNVRSVNA-CQSZACIVSA-N 1 0 384.458 0.768 20 5 GCBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194530 1196692268 /nfs/dbraw/zinc/69/22/68/1196692268.db2.gz ZCOUTBOSGBGVHJ-BXUZGUMPSA-N 1 0 383.430 0.493 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000447245459 1196702049 /nfs/dbraw/zinc/70/20/49/1196702049.db2.gz FSSRNDKJBCIYCH-ZDUSSCGKSA-N 1 0 384.458 0.911 20 5 GCBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449699642 1196893478 /nfs/dbraw/zinc/89/34/78/1196893478.db2.gz RKRZYMFYNPAOSF-AWEZNQCLSA-N 1 0 384.458 0.768 20 5 GCBDRO CN(CC(=O)N[C@@H]1CC[NH2+]CC1(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449707779 1196893858 /nfs/dbraw/zinc/89/38/58/1196893858.db2.gz SHNQRYZQUFBBKL-CQSZACIVSA-N 1 0 384.458 0.720 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449715220 1196894490 /nfs/dbraw/zinc/89/44/90/1196894490.db2.gz IMQQMUCXFVWRAP-WWGRRREGSA-N 1 0 396.469 0.992 20 5 GCBDRO CCN1C[C@@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1=O ZINC000450763284 1196952798 /nfs/dbraw/zinc/95/27/98/1196952798.db2.gz OVAYZFITGLLMMI-LBPRGKRZSA-N 1 0 399.473 0.467 20 5 GCBDRO NC(=O)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccccc21 ZINC000451710710 1197011468 /nfs/dbraw/zinc/01/14/68/1197011468.db2.gz LROKWSWMFNNNPN-GOEBONIOSA-N 1 0 389.412 0.853 20 5 GCBDRO COCC[N@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000520341253 1197109076 /nfs/dbraw/zinc/10/90/76/1197109076.db2.gz YZMAACQUFRUYEY-GFCCVEGCSA-N 1 0 384.458 0.955 20 5 GCBDRO COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000532241121 1197131308 /nfs/dbraw/zinc/13/13/08/1197131308.db2.gz FCKHBXLHGMHTEF-HNNXBMFYSA-N 1 0 390.440 0.911 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000453926512 1197208064 /nfs/dbraw/zinc/20/80/64/1197208064.db2.gz DKGVAJABCKKCNY-TXEJJXNPSA-N 1 0 380.401 0.455 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000547275400 1197233197 /nfs/dbraw/zinc/23/31/97/1197233197.db2.gz BBJINOMQYHIVDF-BZNIZROVSA-N 1 0 382.442 0.444 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429728774 1197333037 /nfs/dbraw/zinc/33/30/37/1197333037.db2.gz ZROXAUAZQDRYPL-FVQBIDKESA-N 1 0 387.458 0.785 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829332 1197365420 /nfs/dbraw/zinc/36/54/20/1197365420.db2.gz SQSBFRBYCMQDBX-UHFFFAOYSA-N 1 0 394.428 0.391 20 5 GCBDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429741708 1197404605 /nfs/dbraw/zinc/40/46/05/1197404605.db2.gz XFVLHGQYJMZVOB-CHWSQXEVSA-N 1 0 382.442 0.555 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000533174040 1197436978 /nfs/dbraw/zinc/43/69/78/1197436978.db2.gz DOKDCMPJDMOKDQ-RWMBFGLXSA-N 1 0 387.462 0.683 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000614895084 1197485066 /nfs/dbraw/zinc/48/50/66/1197485066.db2.gz OOMBCNSFKNHJLA-CYBMUJFWSA-N 1 0 382.465 0.742 20 5 GCBDRO CC1(C)CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1CCO ZINC000614920796 1197487444 /nfs/dbraw/zinc/48/74/44/1197487444.db2.gz QYLBJHAILQPDGD-UHFFFAOYSA-N 1 0 380.401 0.651 20 5 GCBDRO Nc1c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000428613833 1197553614 /nfs/dbraw/zinc/55/36/14/1197553614.db2.gz DUQGIUFOLUIMKX-NSHDSACASA-N 1 0 379.392 0.600 20 5 GCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428630321 1197558293 /nfs/dbraw/zinc/55/82/93/1197558293.db2.gz WWFIHJUKKIEZKY-AWEZNQCLSA-N 1 0 376.413 0.644 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@@H+]1C ZINC000554029387 1199039131 /nfs/dbraw/zinc/03/91/31/1199039131.db2.gz HLKKVZWNNYJKTL-STQMWFEESA-N 1 0 378.433 0.554 20 5 GCBDRO CC(C)(C(=O)NCC(=O)NCC[NH+]1CCCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000554459735 1199054534 /nfs/dbraw/zinc/05/45/34/1199054534.db2.gz UGOHPLIHBKHLSV-UHFFFAOYSA-N 1 0 380.449 0.635 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000543010247 1199359815 /nfs/dbraw/zinc/35/98/15/1199359815.db2.gz BLPCMBHAFQXOGZ-ZDUSSCGKSA-N 1 0 393.444 0.684 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000543010246 1199360005 /nfs/dbraw/zinc/36/00/05/1199360005.db2.gz BLPCMBHAFQXOGZ-CYBMUJFWSA-N 1 0 393.444 0.684 20 5 GCBDRO C[NH+](C)CCOCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000543387728 1199692695 /nfs/dbraw/zinc/69/26/95/1199692695.db2.gz DWKQQJNOVRVNAZ-GFCCVEGCSA-N 1 0 384.458 0.955 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000428890384 1199823480 /nfs/dbraw/zinc/82/34/80/1199823480.db2.gz ZGJNBWKDMPQHDK-GFCCVEGCSA-N 1 0 384.458 0.849 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000428987023 1199872749 /nfs/dbraw/zinc/87/27/49/1199872749.db2.gz RVJGZPAPTONBRR-NSHDSACASA-N 1 0 387.396 0.776 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000132091583 1199956990 /nfs/dbraw/zinc/95/69/90/1199956990.db2.gz SFEDXDMLHIHUEC-ZDUSSCGKSA-N 1 0 386.412 0.708 20 5 GCBDRO NC(=O)C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491564 1199960342 /nfs/dbraw/zinc/96/03/42/1199960342.db2.gz OBWGTOMBJSHFJK-HZPDHXFCSA-N 1 0 376.413 0.960 20 5 GCBDRO NC(=O)C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491563 1199960406 /nfs/dbraw/zinc/96/04/06/1199960406.db2.gz OBWGTOMBJSHFJK-HOTGVXAUSA-N 1 0 376.413 0.960 20 5 GCBDRO NC(=O)C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCOCC1 ZINC000543491562 1199960507 /nfs/dbraw/zinc/96/05/07/1199960507.db2.gz OBWGTOMBJSHFJK-CVEARBPZSA-N 1 0 376.413 0.960 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245923335 1200382996 /nfs/dbraw/zinc/38/29/96/1200382996.db2.gz SZRZKCOAYMAFDL-DLBZAZTESA-N 1 0 386.408 0.508 20 5 GCBDRO C[NH+](C)CCn1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 ZINC000499250899 1200641276 /nfs/dbraw/zinc/64/12/76/1200641276.db2.gz MFNYXABGAVPNKO-UHFFFAOYSA-N 1 0 386.368 0.588 20 5 GCBDRO CC(C)(CO)[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611516096 1201243180 /nfs/dbraw/zinc/24/31/80/1201243180.db2.gz SFULKERYSZWEFJ-UHFFFAOYSA-N 1 0 392.412 0.235 20 5 GCBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000733167674 1201579488 /nfs/dbraw/zinc/57/94/88/1201579488.db2.gz YOAIXVFSSOIOPG-OAHLLOKOSA-N 1 0 386.474 0.966 20 5 GCBDRO Cc1cc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000823789134 1201608625 /nfs/dbraw/zinc/60/86/25/1201608625.db2.gz LSDHBFJPHJICGB-UHFFFAOYSA-N 1 0 386.449 0.910 20 5 GCBDRO CCN(CC)S(=O)(=O)c1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC000733895787 1201631076 /nfs/dbraw/zinc/63/10/76/1201631076.db2.gz LJSFTKLYMNIYGW-UHFFFAOYSA-N 1 0 386.474 0.915 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735855400 1201703835 /nfs/dbraw/zinc/70/38/35/1201703835.db2.gz BUOHNRVLFVFWQL-MJBXVCDLSA-N 1 0 380.449 0.807 20 5 GCBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737851081 1201730736 /nfs/dbraw/zinc/73/07/36/1201730736.db2.gz PQXWYFPJIMMFSM-OAHLLOKOSA-N 1 0 386.474 0.918 20 5 GCBDRO COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168977154 1201929508 /nfs/dbraw/zinc/92/95/08/1201929508.db2.gz IHLQMLITZLLFDA-XJKCOSOUSA-N 1 0 381.429 0.888 20 5 GCBDRO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169028468 1201930234 /nfs/dbraw/zinc/93/02/34/1201930234.db2.gz SDYSQFIMCVOEKX-GDBMZVCRSA-N 1 0 376.457 0.783 20 5 GCBDRO 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 1201930535 /nfs/dbraw/zinc/93/05/35/1201930535.db2.gz ZFQWCHTVXGJQRJ-RIUYPTKQSA-N 1 0 389.456 0.989 20 5 GCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001169030356 1201930647 /nfs/dbraw/zinc/93/06/47/1201930647.db2.gz YZJZKKTWLOIYHK-NUJGCVRESA-N 1 0 377.445 0.830 20 5 GCBDRO Cn1ccnc1C(=O)N[C@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@@H]21 ZINC001169030137 1201930758 /nfs/dbraw/zinc/93/07/58/1201930758.db2.gz WVFGPSNDXSGJQT-RFBLXINOSA-N 1 0 377.445 0.827 20 5 GCBDRO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC001169041172 1201930767 /nfs/dbraw/zinc/93/07/67/1201930767.db2.gz NTLNGPOSKVITJL-ZDUSSCGKSA-N 1 0 394.428 0.708 20 5 GCBDRO CCS(=O)(=O)N([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001169018653 1201930936 /nfs/dbraw/zinc/93/09/36/1201930936.db2.gz BLHBPAGXDDESEK-GVRJEKJASA-N 1 0 375.491 0.851 20 5 GCBDRO 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 ZINC001169018651 1201931194 /nfs/dbraw/zinc/93/11/94/1201931194.db2.gz BKUPRYISYJUTLX-RNGZQALNSA-N 1 0 389.456 0.989 20 5 GCBDRO CS(=O)(=O)N1CCOCC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025354 1201931623 /nfs/dbraw/zinc/93/16/23/1201931623.db2.gz TXTXFOTVUADPQZ-GJZGRUSLSA-N 1 0 375.491 0.806 20 5 GCBDRO CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024840 1201931660 /nfs/dbraw/zinc/93/16/60/1201931660.db2.gz RKECRENZQRYFGA-ZFWWWQNUSA-N 1 0 392.460 0.666 20 5 GCBDRO O=C(NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2)C1CC1 ZINC001169023002 1201931676 /nfs/dbraw/zinc/93/16/76/1201931676.db2.gz OCHJCPZMGFEANX-BBRMVZONSA-N 1 0 389.456 0.921 20 5 GCBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000769712455 1202069432 /nfs/dbraw/zinc/06/94/32/1202069432.db2.gz LEVRRKNGMYPZDG-CYBMUJFWSA-N 1 0 384.458 0.758 20 5 GCBDRO COC(=O)C[C@]1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCOC1 ZINC000770691498 1202109099 /nfs/dbraw/zinc/10/90/99/1202109099.db2.gz IPFOCAWUJOVHBH-QGZVFWFLSA-N 1 0 395.368 0.964 20 5 GCBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648566 1205426595 /nfs/dbraw/zinc/42/65/95/1205426595.db2.gz ZBPHUBDRVUODFF-DZGCQCFKSA-N 1 0 377.445 0.761 20 5 GCBDRO COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307848 1205490744 /nfs/dbraw/zinc/49/07/44/1205490744.db2.gz JBHJQYCSDUAQNS-RISCZKNCSA-N 1 0 381.433 0.929 20 5 GCBDRO NS(=O)(=O)c1ccc(NCC(=O)OCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000747451677 1205598333 /nfs/dbraw/zinc/59/83/33/1205598333.db2.gz MBDZTCZILNMVMR-UHFFFAOYSA-N 1 0 386.430 0.683 20 5 GCBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)C1=O ZINC000808139028 1205600016 /nfs/dbraw/zinc/60/00/16/1205600016.db2.gz OUMSDTNMVPTIOD-AWEZNQCLSA-N 1 0 379.392 0.741 20 5 GCBDRO NC(=O)c1ccc(SCC(=O)N[C@@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000808224523 1205603105 /nfs/dbraw/zinc/60/31/05/1205603105.db2.gz TWTFHBXTPGIHFH-GFCCVEGCSA-N 1 0 382.442 0.359 20 5 GCBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001132760393 1205650665 /nfs/dbraw/zinc/65/06/65/1205650665.db2.gz BKRDOCWYXSTRAW-KRWDZBQOSA-N 1 0 381.385 0.743 20 5 GCBDRO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172905950 1205717709 /nfs/dbraw/zinc/71/77/09/1205717709.db2.gz FGDSDDPZMPOTJO-UHOSZYNNSA-N 1 0 388.468 0.973 20 5 GCBDRO C=CC(=O)NCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693152 1205726391 /nfs/dbraw/zinc/72/63/91/1205726391.db2.gz DUUJCHWWRYBPRI-UHFFFAOYSA-N 1 0 382.442 0.640 20 5 GCBDRO O=C1NCCN1CC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690545 1205726491 /nfs/dbraw/zinc/72/64/91/1205726491.db2.gz UJLRAFUSKKVLSV-UHFFFAOYSA-N 1 0 397.457 0.363 20 5 GCBDRO CN1CCOC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693528 1205726550 /nfs/dbraw/zinc/72/65/50/1205726550.db2.gz RRTWHVNYIPGCPT-HNNXBMFYSA-N 1 0 398.485 0.668 20 5 GCBDRO CC(=O)N1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173694385 1205726586 /nfs/dbraw/zinc/72/65/86/1205726586.db2.gz OFZVDTBTQVBPBH-HNNXBMFYSA-N 1 0 396.469 0.958 20 5 GCBDRO O=C1NC[C@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC001173696248 1205726750 /nfs/dbraw/zinc/72/67/50/1205726750.db2.gz VLJGUELQPIIXHA-LBPRGKRZSA-N 1 0 384.414 0.446 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001181440784 1205844837 /nfs/dbraw/zinc/84/48/37/1205844837.db2.gz DOLGJQHYDCXYHC-NUEKZKHPSA-N 1 0 375.429 0.850 20 5 GCBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)CC2 ZINC001164684604 719718839 /nfs/dbraw/zinc/71/88/39/719718839.db2.gz ILASHLWCRRZUNC-UHFFFAOYSA-N 1 0 394.432 0.583 20 5 GCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738133 720697727 /nfs/dbraw/zinc/69/77/27/720697727.db2.gz ILLFSYLOYDYGOP-QWHCGFSZSA-N 1 0 387.400 0.834 20 5 GCBDRO Cc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-] ZINC001164753333 720967229 /nfs/dbraw/zinc/96/72/29/720967229.db2.gz CEBSCSPUCJIPSN-UHFFFAOYSA-N 1 0 375.389 0.535 20 5 GCBDRO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164868554 721271398 /nfs/dbraw/zinc/27/13/98/721271398.db2.gz BTULYYKNXMQUFG-UHFFFAOYSA-N 1 0 392.460 0.700 20 5 GCBDRO CCN(CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000579884019 530197838 /nfs/dbraw/zinc/19/78/38/530197838.db2.gz IHURTLAUYZXYCR-UHFFFAOYSA-N 1 0 393.487 0.630 20 5 GCBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539310180 530251554 /nfs/dbraw/zinc/25/15/54/530251554.db2.gz MCQIJTFIWJYZTL-LLVKDONJSA-N 1 0 379.460 0.286 20 5 GCBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539310181 530251718 /nfs/dbraw/zinc/25/17/18/530251718.db2.gz MCQIJTFIWJYZTL-NSHDSACASA-N 1 0 379.460 0.286 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CC[S@@](=O)C2)c([N+](=O)[O-])c1 ZINC000433438846 530212827 /nfs/dbraw/zinc/21/28/27/530212827.db2.gz FBSLCGVUETYDDV-APXPCNQMSA-N 1 0 390.487 0.368 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000562079032 530261230 /nfs/dbraw/zinc/26/12/30/530261230.db2.gz ARLOSEUNXYWDDG-UHFFFAOYSA-N 1 0 375.403 0.128 20 5 GCBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573199498 530295431 /nfs/dbraw/zinc/29/54/31/530295431.db2.gz ZWXRWBIMTBZDKQ-LBPRGKRZSA-N 1 0 375.447 0.642 20 5 GCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899348 530350414 /nfs/dbraw/zinc/35/04/14/530350414.db2.gz UHOZNIOVFCZGQG-YPMHNXCESA-N 1 0 397.229 0.670 20 5 GCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590370276 530369901 /nfs/dbraw/zinc/36/99/01/530369901.db2.gz XOGINUIPQLPRRC-SNVBAGLBSA-N 1 0 393.181 0.852 20 5 GCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000184338494 530499229 /nfs/dbraw/zinc/49/92/29/530499229.db2.gz TZOONYMJUMNGRV-UHFFFAOYSA-N 1 0 396.263 0.950 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000440844124 530695956 /nfs/dbraw/zinc/69/59/56/530695956.db2.gz IBHKPRQXEYYBBQ-UWVGGRQHSA-N 1 0 377.394 0.869 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161415285 530778343 /nfs/dbraw/zinc/77/83/43/530778343.db2.gz FLIPYRZFRXQFMZ-LBPRGKRZSA-N 1 0 396.263 0.948 20 5 GCBDRO CC(C)OC[C@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420974536 530874807 /nfs/dbraw/zinc/87/48/07/530874807.db2.gz OSVMXBRUVZZSGJ-CQSZACIVSA-N 1 0 375.447 0.591 20 5 GCBDRO CCn1cc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000533174091 530901087 /nfs/dbraw/zinc/90/10/87/530901087.db2.gz IRFMJNZSUFOGIU-LBPRGKRZSA-N 1 0 375.451 0.326 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1I ZINC000423994039 530888035 /nfs/dbraw/zinc/88/80/35/530888035.db2.gz RSWPMYBBSDPERS-SECBINFHSA-N 1 0 391.165 0.918 20 5 GCBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443294472 530895787 /nfs/dbraw/zinc/89/57/87/530895787.db2.gz ZZORZNFRODRFBO-UHFFFAOYSA-N 1 0 395.865 0.809 20 5 GCBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000443305825 530896670 /nfs/dbraw/zinc/89/66/70/530896670.db2.gz WTHCAMDQSUHNDJ-UHFFFAOYSA-N 1 0 379.410 0.295 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330489479 530916913 /nfs/dbraw/zinc/91/69/13/530916913.db2.gz BOWLPAJOACHTKY-UHFFFAOYSA-N 1 0 390.849 0.643 20 5 GCBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000738366077 598597170 /nfs/dbraw/zinc/59/71/70/598597170.db2.gz BJTNQISORQRQMO-LLVKDONJSA-N 1 0 385.388 0.682 20 5 GCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000821628314 606727334 /nfs/dbraw/zinc/72/73/34/606727334.db2.gz FXRLWRRRCSMRLI-HUUCEWRRSA-N 1 0 382.384 0.842 20 5 GCBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCCO)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000826499816 607966058 /nfs/dbraw/zinc/96/60/58/607966058.db2.gz YTVUWGTWRYKEQB-UHFFFAOYSA-N 1 0 384.400 0.828 20 5 GCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000825000327 608150877 /nfs/dbraw/zinc/15/08/77/608150877.db2.gz ONRLLRNDLQQTPQ-WFASDCNBSA-N 1 0 387.448 0.632 20 5 GCBDRO C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824999951 608150881 /nfs/dbraw/zinc/15/08/81/608150881.db2.gz LFOQHXURBSNTPF-GXTWGEPZSA-N 1 0 387.448 0.632 20 5 GCBDRO COCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841204276 638699681 /nfs/dbraw/zinc/69/96/81/638699681.db2.gz ZJQKGGDFMLGOLG-UHFFFAOYSA-N 1 0 389.206 0.648 20 5 GCBDRO C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841213359 638709014 /nfs/dbraw/zinc/70/90/14/638709014.db2.gz NLOOCQBEFRJVKD-ZCFIWIBFSA-N 1 0 392.153 0.601 20 5 GCBDRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810347251 641725950 /nfs/dbraw/zinc/72/59/50/641725950.db2.gz XJTYCBDILDMHIB-VIFPVBQESA-N 1 0 389.206 0.335 20 5 GCBDRO C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000147045248 1192173901 /nfs/dbraw/zinc/17/39/01/1192173901.db2.gz RIUIITYZIYYBNR-ZDUSSCGKSA-N 1 0 384.458 0.864 20 5 GCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000053836227 1192260822 /nfs/dbraw/zinc/26/08/22/1192260822.db2.gz CMJMAENNWVAERX-UHFFFAOYSA-N 1 0 387.400 0.406 20 5 GCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000568533053 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/nfs/dbraw/zinc/62/18/30/1192621830.db2.gz IIEHZPFQWJMJSN-KRWDZBQOSA-N 1 0 378.433 0.590 20 5 GCBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418715461 1192634316 /nfs/dbraw/zinc/63/43/16/1192634316.db2.gz YFFKGDLLYMROOH-ZDUSSCGKSA-N 1 0 399.473 0.738 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418773780 1192641297 /nfs/dbraw/zinc/64/12/97/1192641297.db2.gz URERXUOZLMCMDZ-CYBMUJFWSA-N 1 0 377.401 0.051 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418920779 1192691969 /nfs/dbraw/zinc/69/19/69/1192691969.db2.gz BVRHNLSHTYOYDK-GLQYFDAESA-N 1 0 376.413 0.805 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418920780 1192692024 /nfs/dbraw/zinc/69/20/24/1192692024.db2.gz BVRHNLSHTYOYDK-NILFDRSVSA-N 1 0 376.413 0.805 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000418954155 1192700539 /nfs/dbraw/zinc/70/05/39/1192700539.db2.gz XFEMYTLJJRVNQY-GXFFZTMASA-N 1 0 380.401 0.449 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000500696870 1192711140 /nfs/dbraw/zinc/71/11/40/1192711140.db2.gz SXWHYVCQLODLQQ-HNNXBMFYSA-N 1 0 398.485 0.644 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000419022743 1192724700 /nfs/dbraw/zinc/72/47/00/1192724700.db2.gz LQIXWUGBJKMJMY-NEPJUHHUSA-N 1 0 394.428 0.480 20 5 GCBDRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261670896 1192726585 /nfs/dbraw/zinc/72/65/85/1192726585.db2.gz BWUOLJGFUJXVNC-KGLIPLIRSA-N 1 0 396.469 0.864 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000419030837 1192732438 /nfs/dbraw/zinc/73/24/38/1192732438.db2.gz UGCNOHLKAFTTOE-DGCLKSJQSA-N 1 0 394.428 0.466 20 5 GCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000419032546 1192732931 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WNJJLUOMMQALGY-UHFFFAOYSA-N 1 0 380.401 0.713 20 5 GCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000274673189 1184177258 /nfs/dbraw/zinc/17/72/58/1184177258.db2.gz RPKLGJIELFXZTC-ZDUSSCGKSA-N 1 0 386.474 0.908 20 5 GCBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274759357 1184274982 /nfs/dbraw/zinc/27/49/82/1184274982.db2.gz HYXCKODRQQRQGN-CABCVRRESA-N 1 0 396.469 0.632 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1CC[NH+](C)C ZINC000510088214 1184277934 /nfs/dbraw/zinc/27/79/34/1184277934.db2.gz SLMIDCXXCNMWLE-UHFFFAOYSA-N 1 0 381.418 0.882 20 5 GCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000578191915 1184357095 /nfs/dbraw/zinc/35/70/95/1184357095.db2.gz QMYVCAJUSOSACO-IAGOWNOFSA-N 1 0 387.440 0.884 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000275086935 1184502681 /nfs/dbraw/zinc/50/26/81/1184502681.db2.gz PLDNMSQEMZUILK-LLVKDONJSA-N 1 0 390.437 0.657 20 5 GCBDRO C[NH+](C)C1(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275435418 1184667568 /nfs/dbraw/zinc/66/75/68/1184667568.db2.gz JPOHIWYOLUFVFP-UHFFFAOYSA-N 1 0 399.473 0.657 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275458354 1184675486 /nfs/dbraw/zinc/67/54/86/1184675486.db2.gz PDIBOKMZCWRDNJ-CQSZACIVSA-N 1 0 392.456 0.937 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275529058 1184700304 /nfs/dbraw/zinc/70/03/04/1184700304.db2.gz XTDWJVOGWCRNAV-UHFFFAOYSA-N 1 0 380.401 0.632 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000109762022 1184795869 /nfs/dbraw/zinc/79/58/69/1184795869.db2.gz GPTAEUCVFZHPAR-UHFFFAOYSA-N 1 0 387.444 0.953 20 5 GCBDRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000578928981 1184869740 /nfs/dbraw/zinc/86/97/40/1184869740.db2.gz QCICTAUOYILQOQ-UHFFFAOYSA-N 1 0 378.429 0.564 20 5 GCBDRO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000578973611 1184882304 /nfs/dbraw/zinc/88/23/04/1184882304.db2.gz YRKAQWTVLGEOAQ-CQSZACIVSA-N 1 0 376.413 0.269 20 5 GCBDRO 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 1184905838 /nfs/dbraw/zinc/90/58/38/1184905838.db2.gz ICEFHOGRXILLQW-OUENDJJVSA-N 1 0 378.429 0.914 20 5 GCBDRO O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023693219 1184928476 /nfs/dbraw/zinc/92/84/76/1184928476.db2.gz DGEOEXQQOQYOAG-UHFFFAOYSA-N 1 0 396.469 0.914 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000053305151 1185010891 /nfs/dbraw/zinc/01/08/91/1185010891.db2.gz MGSIQQFGVCATNT-AWEZNQCLSA-N 1 0 377.445 0.419 20 5 GCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261607708 1185214564 /nfs/dbraw/zinc/21/45/64/1185214564.db2.gz AGSPCQQJMXEVCD-QWRGUYRKSA-N 1 0 385.446 0.240 20 5 GCBDRO 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CCC(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610682629 1186117214 /nfs/dbraw/zinc/11/72/14/1186117214.db2.gz WGQMSIQZAXWQAV-UHFFFAOYSA-N 1 0 384.458 0.864 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563086969 1186223110 /nfs/dbraw/zinc/22/31/10/1186223110.db2.gz CYJNBNGRVJOZDS-AWEZNQCLSA-N 1 0 376.413 0.415 20 5 GCBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563087010 1186223231 /nfs/dbraw/zinc/22/32/31/1186223231.db2.gz AWJRDZCWYZSLGQ-HNNXBMFYSA-N 1 0 389.456 0.551 20 5 GCBDRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1O ZINC000582012216 1186285808 /nfs/dbraw/zinc/28/58/08/1186285808.db2.gz AARVBHCCFMOKNS-SRVKXCTJSA-N 1 0 382.442 0.394 20 5 GCBDRO COCC[N@H+](C)CCCNc1ccc(C(=O)NCC(=O)OC)cc1[N+](=O)[O-] ZINC000277191275 1186290000 /nfs/dbraw/zinc/29/00/00/1186290000.db2.gz WQBXZYOCDSPUBN-UHFFFAOYSA-N 1 0 382.417 0.878 20 5 GCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000262486093 1186301202 /nfs/dbraw/zinc/30/12/02/1186301202.db2.gz FLGVVJQOQQVRCV-CQSZACIVSA-N 1 0 376.413 0.787 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000262508214 1186303112 /nfs/dbraw/zinc/30/31/12/1186303112.db2.gz CAHDBXCYBGNAPP-CHWSQXEVSA-N 1 0 384.458 0.719 20 5 GCBDRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000262527489 1186303986 /nfs/dbraw/zinc/30/39/86/1186303986.db2.gz LSBAHDROISQLCL-NSHDSACASA-N 1 0 388.446 0.468 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000277385322 1186358071 /nfs/dbraw/zinc/35/80/71/1186358071.db2.gz FNJJSDQPUYTVDR-HNNXBMFYSA-N 1 0 376.413 0.982 20 5 GCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000551657632 1186433486 /nfs/dbraw/zinc/43/34/86/1186433486.db2.gz RHMGNSNJQLDOSW-CQSZACIVSA-N 1 0 392.460 0.485 20 5 GCBDRO O=C(NCCCCn1ccnc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000551846024 1186446976 /nfs/dbraw/zinc/44/69/76/1186446976.db2.gz JUGFNZHVZRKKIP-UHFFFAOYSA-N 1 0 385.384 0.880 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000582219818 1186469273 /nfs/dbraw/zinc/46/92/73/1186469273.db2.gz RMGPMEZCLNSHKZ-ROUUACIJSA-N 1 0 393.419 0.954 20 5 GCBDRO C[NH+]1CCC(CNc2ccc3ncc([N+](=O)[O-])n3n2)(N2CCOCC2)CC1 ZINC000413482314 1186520641 /nfs/dbraw/zinc/52/06/41/1186520641.db2.gz OUXFAPNBWFZIDS-UHFFFAOYSA-N 1 0 375.433 0.846 20 5 GCBDRO Cc1cc(NCCN2CCN(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611921605 1186663647 /nfs/dbraw/zinc/66/36/47/1186663647.db2.gz LGNGIYXDVDWGQB-UHFFFAOYSA-N 1 0 393.469 0.862 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582963497 1186737908 /nfs/dbraw/zinc/73/79/08/1186737908.db2.gz SYRARIAXZNHZBM-QWHCGFSZSA-N 1 0 382.442 0.331 20 5 GCBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268273 1186863217 /nfs/dbraw/zinc/86/32/17/1186863217.db2.gz IVMWNBFGZGJFCA-OWCLPIDISA-N 1 0 384.429 0.680 20 5 GCBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268271 1186863510 /nfs/dbraw/zinc/86/35/10/1186863510.db2.gz IVMWNBFGZGJFCA-HRCADAONSA-N 1 0 384.429 0.680 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000052392774 1186866811 /nfs/dbraw/zinc/86/68/11/1186866811.db2.gz LCNNYTHWUPVKAL-GFCCVEGCSA-N 1 0 399.473 0.136 20 5 GCBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(N4CCOC4=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000278455354 1186950463 /nfs/dbraw/zinc/95/04/63/1186950463.db2.gz WYTUNLPOWMGOGN-TXEJJXNPSA-N 1 0 396.425 0.734 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000583872549 1186955754 /nfs/dbraw/zinc/95/57/54/1186955754.db2.gz RJFREGAWAOMSRU-DZGCQCFKSA-N 1 0 396.469 0.734 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584400727 1187050854 /nfs/dbraw/zinc/05/08/54/1187050854.db2.gz UOGSTKJIQQDZTL-HNNXBMFYSA-N 1 0 391.428 0.057 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000611855270 1187058010 /nfs/dbraw/zinc/05/80/10/1187058010.db2.gz QUJLQOBGUSNIDK-UHFFFAOYSA-N 1 0 378.429 0.548 20 5 GCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188262792 1187271148 /nfs/dbraw/zinc/27/11/48/1187271148.db2.gz GVNRAVIVUUPJQC-RTBURBONSA-N 1 0 389.456 0.721 20 5 GCBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364220955 1187425407 /nfs/dbraw/zinc/42/54/07/1187425407.db2.gz ZYLCXZVNQIXQQR-SUMWQHHRSA-N 1 0 394.453 0.427 20 5 GCBDRO O=C([C@H]1CCCCC[NH2+]1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364484155 1187445295 /nfs/dbraw/zinc/44/52/95/1187445295.db2.gz LLLUVGXZQKGKJI-MRXNPFEDSA-N 1 0 396.469 0.960 20 5 GCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000365339270 1187515777 /nfs/dbraw/zinc/51/57/77/1187515777.db2.gz KMMMPYYWEVOGFI-MRXNPFEDSA-N 1 0 375.429 0.772 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000065974694 1187520185 /nfs/dbraw/zinc/52/01/85/1187520185.db2.gz KPZQQYDFAGNABM-UHFFFAOYSA-N 1 0 398.485 0.982 20 5 GCBDRO C[C@H]1C[C@H](O)CN1c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000472442636 1187526797 /nfs/dbraw/zinc/52/67/97/1187526797.db2.gz BRGXACQOXGFHQG-STQMWFEESA-N 1 0 386.474 0.784 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413818332 1187528001 /nfs/dbraw/zinc/52/80/01/1187528001.db2.gz NHMLSWXZSCMRDU-HNNXBMFYSA-N 1 0 393.444 0.357 20 5 GCBDRO COC(=O)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[N@H+](C)C1 ZINC000411905906 1187531841 /nfs/dbraw/zinc/53/18/41/1187531841.db2.gz BUMVSDQHMYAPDS-LBPRGKRZSA-N 1 0 380.401 0.579 20 5 GCBDRO CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000066360829 1187673173 /nfs/dbraw/zinc/67/31/73/1187673173.db2.gz ALTWJDAVVBGXFD-UHFFFAOYSA-N 1 0 399.473 0.657 20 5 GCBDRO COc1cc(CCNC(=O)c2cn(CCC[NH3+])nn2)c([N+](=O)[O-])cc1OC ZINC000582177895 1187734749 /nfs/dbraw/zinc/73/47/49/1187734749.db2.gz ABIPQWIQTFWOGP-UHFFFAOYSA-N 1 0 378.389 0.525 20 5 GCBDRO C[C@H]1CN(c2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)CCO1 ZINC000582481248 1187736886 /nfs/dbraw/zinc/73/68/86/1187736886.db2.gz LDPAYQNRWPWVKM-BBRMVZONSA-N 1 0 376.417 0.562 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000582601266 1187757482 /nfs/dbraw/zinc/75/74/82/1187757482.db2.gz ZFDJUYYFTHKHMM-NWDGAFQWSA-N 1 0 381.458 0.281 20 5 GCBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000582901364 1187820182 /nfs/dbraw/zinc/82/01/82/1187820182.db2.gz CHLIRKLWPGFDTP-GFCCVEGCSA-N 1 0 382.442 0.568 20 5 GCBDRO C[C@H](CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000582927860 1187825935 /nfs/dbraw/zinc/82/59/35/1187825935.db2.gz ABZUILZGWKAWHL-GFCCVEGCSA-N 1 0 397.863 0.730 20 5 GCBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376444387 1187843257 /nfs/dbraw/zinc/84/32/57/1187843257.db2.gz YGCIIGUWLSSTID-AAEUAGOBSA-N 1 0 382.442 0.941 20 5 GCBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376444390 1187843472 /nfs/dbraw/zinc/84/34/72/1187843472.db2.gz YGCIIGUWLSSTID-YPMHNXCESA-N 1 0 382.442 0.941 20 5 GCBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376450010 1187847233 /nfs/dbraw/zinc/84/72/33/1187847233.db2.gz RCIIAUDFQVXPOM-DGCLKSJQSA-N 1 0 382.442 0.941 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000181042801 1187906262 /nfs/dbraw/zinc/90/62/62/1187906262.db2.gz MJYIZYWNWJWKKI-ZDUSSCGKSA-N 1 0 377.445 0.902 20 5 GCBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000064677605 1187922708 /nfs/dbraw/zinc/92/27/08/1187922708.db2.gz BILXLBCJXZLXAQ-UHFFFAOYSA-N 1 0 389.416 0.897 20 5 GCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000472634517 1187969190 /nfs/dbraw/zinc/96/91/90/1187969190.db2.gz HABNOZDKCQDNJO-GFCCVEGCSA-N 1 0 380.376 0.853 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)c(C)c([N+](=O)[O-])c1 ZINC000415297730 1188024060 /nfs/dbraw/zinc/02/40/60/1188024060.db2.gz FBVWTPGRHYMCTB-UHFFFAOYSA-N 1 0 378.385 0.826 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415701660 1188143113 /nfs/dbraw/zinc/14/31/13/1188143113.db2.gz BRYIQGJLRDCZOF-AWEZNQCLSA-N 1 0 375.429 0.656 20 5 GCBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415698321 1188143174 /nfs/dbraw/zinc/14/31/74/1188143174.db2.gz WYAVFCZAHXEPKM-GFCCVEGCSA-N 1 0 389.334 0.486 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415744977 1188156214 /nfs/dbraw/zinc/15/62/14/1188156214.db2.gz LYCKKLMBZKRNRB-DGCLKSJQSA-N 1 0 390.396 0.696 20 5 GCBDRO Cn1cnc(CNc2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000271079144 1189377319 /nfs/dbraw/zinc/37/73/19/1189377319.db2.gz UOFPATARNGANJH-UHFFFAOYSA-N 1 0 397.461 0.565 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000415861535 1189385572 /nfs/dbraw/zinc/38/55/72/1189385572.db2.gz QEBGEOZPABCNLA-UHFFFAOYSA-N 1 0 378.385 0.887 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415866199 1189391175 /nfs/dbraw/zinc/39/11/75/1189391175.db2.gz BNQPUFWRWRGCFN-YPMHNXCESA-N 1 0 390.396 0.696 20 5 GCBDRO CNc1nc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000412324023 1189437249 /nfs/dbraw/zinc/43/72/49/1189437249.db2.gz TXMVGDSDBHSJPC-GFCCVEGCSA-N 1 0 378.433 0.752 20 5 GCBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000290695716 1189445499 /nfs/dbraw/zinc/44/54/99/1189445499.db2.gz NBWXVAFFSZIFQW-GFCCVEGCSA-N 1 0 382.446 0.878 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347059 1189465630 /nfs/dbraw/zinc/46/56/30/1189465630.db2.gz HXGKQPOCKOXXOY-OAHLLOKOSA-N 1 0 378.429 0.596 20 5 GCBDRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000363905987 1189566361 /nfs/dbraw/zinc/56/63/61/1189566361.db2.gz GPNVKRXGONVGDS-STQMWFEESA-N 1 0 391.384 0.660 20 5 GCBDRO COc1cc(CCNC(=O)NC[C@@H]2C[NH2+]CCCO2)c([N+](=O)[O-])cc1OC ZINC000416907279 1189592768 /nfs/dbraw/zinc/59/27/68/1189592768.db2.gz ULDZDDVXICBCPT-ZDUSSCGKSA-N 1 0 382.417 0.832 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417264839 1189638714 /nfs/dbraw/zinc/63/87/14/1189638714.db2.gz AFVZXJRFKARASJ-IUODEOHRSA-N 1 0 399.473 0.690 20 5 GCBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282270 1189639226 /nfs/dbraw/zinc/63/92/26/1189639226.db2.gz PKAKVBDWOHSPFM-GFCCVEGCSA-N 1 0 387.462 0.546 20 5 GCBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282052 1189639312 /nfs/dbraw/zinc/63/93/12/1189639312.db2.gz ORNBCWDHFKCXQV-BXUZGUMPSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417281250 1189639493 /nfs/dbraw/zinc/63/94/93/1189639493.db2.gz MYSQUQMDGALCEY-NEPJUHHUSA-N 1 0 385.446 0.313 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000417283667 1189639500 /nfs/dbraw/zinc/63/95/00/1189639500.db2.gz RIXSULYVWAXBAV-CHWSQXEVSA-N 1 0 399.473 0.499 20 5 GCBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289319 1189640527 /nfs/dbraw/zinc/64/05/27/1189640527.db2.gz ZVTBVNHOOXABDQ-NWDGAFQWSA-N 1 0 385.446 0.252 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417319073 1189646707 /nfs/dbraw/zinc/64/67/07/1189646707.db2.gz HCGILRDMMSOJEB-NEPJUHHUSA-N 1 0 385.446 0.442 20 5 GCBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417688803 1189696746 /nfs/dbraw/zinc/69/67/46/1189696746.db2.gz FDOLJJNVHLQSCR-ZDUSSCGKSA-N 1 0 399.473 0.657 20 5 GCBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685211 1189696846 /nfs/dbraw/zinc/69/68/46/1189696846.db2.gz YCUJOSNYKXWTJU-NEPJUHHUSA-N 1 0 385.446 0.170 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417690934 1189696850 /nfs/dbraw/zinc/69/68/50/1189696850.db2.gz JDNWSNGCJFVJJE-OLZOCXBDSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000417687760 1189696864 /nfs/dbraw/zinc/69/68/64/1189696864.db2.gz CMVZMCJNGCSNNP-LBPRGKRZSA-N 1 0 385.446 0.172 20 5 GCBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689412 1189696915 /nfs/dbraw/zinc/69/69/15/1189696915.db2.gz GELXBKHFLJHIJJ-NWDGAFQWSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690731 1189696918 /nfs/dbraw/zinc/69/69/18/1189696918.db2.gz IQQHYALDYAEGAW-NEPJUHHUSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000417689270 1189696968 /nfs/dbraw/zinc/69/69/68/1189696968.db2.gz FYJWIGHAYHEVQU-NEPJUHHUSA-N 1 0 385.446 0.265 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417994744 1189711430 /nfs/dbraw/zinc/71/14/30/1189711430.db2.gz AEUWGJRCFQDDNE-SWLSCSKDSA-N 1 0 382.442 0.762 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417994745 1189711467 /nfs/dbraw/zinc/71/14/67/1189711467.db2.gz AEUWGJRCFQDDNE-WFASDCNBSA-N 1 0 382.442 0.762 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000418022875 1189712297 /nfs/dbraw/zinc/71/22/97/1189712297.db2.gz RKWXMLIBCBKETG-QWHCGFSZSA-N 1 0 384.458 0.995 20 5 GCBDRO O=C(NCCC1=CC[NH2+]CC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418015447 1189712380 /nfs/dbraw/zinc/71/23/80/1189712380.db2.gz DNNMWLDUROHZFY-UHFFFAOYSA-N 1 0 382.442 0.978 20 5 GCBDRO C[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418277766 1189746124 /nfs/dbraw/zinc/74/61/24/1189746124.db2.gz JMJZSDWMEATDMV-UHFFFAOYSA-N 1 0 385.446 0.220 20 5 GCBDRO Cn1cc(CNc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])cn1 ZINC000053583620 1189759200 /nfs/dbraw/zinc/75/92/00/1189759200.db2.gz JXWZKGIRQWTYKF-UHFFFAOYSA-N 1 0 382.446 0.780 20 5 GCBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418356435 1189764367 /nfs/dbraw/zinc/76/43/67/1189764367.db2.gz CAXPERIRCNWSBS-ZDUSSCGKSA-N 1 0 397.457 0.363 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418383515 1189771462 /nfs/dbraw/zinc/77/14/62/1189771462.db2.gz JFEKVTRLLZVIPC-ZDUSSCGKSA-N 1 0 399.473 0.466 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418395970 1189776595 /nfs/dbraw/zinc/77/65/95/1189776595.db2.gz ZAIBXINORJLWKU-CYBMUJFWSA-N 1 0 397.457 0.281 20 5 GCBDRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500328177 1189776863 /nfs/dbraw/zinc/77/68/63/1189776863.db2.gz XJCLEPVYWHFWJI-LBPRGKRZSA-N 1 0 385.446 0.429 20 5 GCBDRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000500328175 1189777304 /nfs/dbraw/zinc/77/73/04/1189777304.db2.gz XJCLEPVYWHFWJI-GFCCVEGCSA-N 1 0 385.446 0.429 20 5 GCBDRO CC(C)([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418417788 1189780939 /nfs/dbraw/zinc/78/09/39/1189780939.db2.gz VKADSDBXILEYRX-UHFFFAOYSA-N 1 0 385.446 0.348 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418477450 1189797156 /nfs/dbraw/zinc/79/71/56/1189797156.db2.gz UYWVVKPFDOWHAS-LBPRGKRZSA-N 1 0 385.446 0.206 20 5 GCBDRO CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888992263 1189812011 /nfs/dbraw/zinc/81/20/11/1189812011.db2.gz DEIZQDYKRBZNHX-UHFFFAOYSA-N 1 0 397.863 0.684 20 5 GCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)CCN2C1=O ZINC000566808520 1189825814 /nfs/dbraw/zinc/82/58/14/1189825814.db2.gz SEPPIGHYPWVPAZ-UWVGGRQHSA-N 1 0 385.327 0.972 20 5 GCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000500880674 1193746603 /nfs/dbraw/zinc/74/66/03/1193746603.db2.gz NKVZRBPUQKRFCF-UHFFFAOYSA-N 1 0 394.476 0.885 20 5 GCBDRO C[NH2+]CCC1CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000419345050 1193840906 /nfs/dbraw/zinc/84/09/06/1193840906.db2.gz GKUMZRSSOLRXPX-UHFFFAOYSA-N 1 0 388.428 0.935 20 5 GCBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419349220 1193844569 /nfs/dbraw/zinc/84/45/69/1193844569.db2.gz MFLYESYXCKIILB-GFCCVEGCSA-N 1 0 376.417 0.919 20 5 GCBDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419349702 1193844947 /nfs/dbraw/zinc/84/49/47/1193844947.db2.gz DQMWFISNPCPZFP-CQSZACIVSA-N 1 0 378.385 0.677 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000419356999 1193859508 /nfs/dbraw/zinc/85/95/08/1193859508.db2.gz UBUFHBBHQLKZSM-INIZCTEOSA-N 1 0 378.429 0.610 20 5 GCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419362026 1193865395 /nfs/dbraw/zinc/86/53/95/1193865395.db2.gz UDXGWZGWWWLGBZ-AWEZNQCLSA-N 1 0 378.385 0.677 20 5 GCBDRO COCC1(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261815969 1193927686 /nfs/dbraw/zinc/92/76/86/1193927686.db2.gz XJUZOFRPWMWJIY-CYBMUJFWSA-N 1 0 378.429 0.846 20 5 GCBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513627378 1193968233 /nfs/dbraw/zinc/96/82/33/1193968233.db2.gz QNKTXQDLVWIHTM-UHFFFAOYSA-N 1 0 399.469 0.917 20 5 GCBDRO CCOc1cc(N2CC[NH+](CCC(=O)NCC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000280179315 1193979314 /nfs/dbraw/zinc/97/93/14/1193979314.db2.gz GXZLCOMGSPMGNN-UHFFFAOYSA-N 1 0 394.428 0.795 20 5 GCBDRO CCOc1cc(N2CC[NH+](CCC(=O)NC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000280230006 1193981674 /nfs/dbraw/zinc/98/16/74/1193981674.db2.gz MCZCUHLOVSPBHN-UHFFFAOYSA-N 1 0 379.417 0.961 20 5 GCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280707767 1194015544 /nfs/dbraw/zinc/01/55/44/1194015544.db2.gz FXXVODRMZKRJOD-ZDUSSCGKSA-N 1 0 384.458 0.673 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000419454055 1194033408 /nfs/dbraw/zinc/03/34/08/1194033408.db2.gz LIVGYWIPQHNOPJ-AWEZNQCLSA-N 1 0 377.445 0.937 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413157258 1194085960 /nfs/dbraw/zinc/08/59/60/1194085960.db2.gz PUHQGBBCDPOXCZ-CYBMUJFWSA-N 1 0 380.401 0.850 20 5 GCBDRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419856693 1194122362 /nfs/dbraw/zinc/12/23/62/1194122362.db2.gz SZHWKLAWZPDSCA-UHFFFAOYSA-N 1 0 375.429 0.502 20 5 GCBDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419859553 1194123603 /nfs/dbraw/zinc/12/36/03/1194123603.db2.gz NMXOZNZDIBRDNW-AWEZNQCLSA-N 1 0 375.429 0.359 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000419873426 1194129116 /nfs/dbraw/zinc/12/91/16/1194129116.db2.gz MPMOMCWGQGURTJ-OLZOCXBDSA-N 1 0 376.417 0.025 20 5 GCBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419949784 1194143290 /nfs/dbraw/zinc/14/32/90/1194143290.db2.gz HORLYAXJHLDVMB-CQSZACIVSA-N 1 0 377.445 0.733 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000419940299 1194145976 /nfs/dbraw/zinc/14/59/76/1194145976.db2.gz KFCUHFGPJTYIIN-CYBMUJFWSA-N 1 0 393.444 0.353 20 5 GCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419970510 1194149498 /nfs/dbraw/zinc/14/94/98/1194149498.db2.gz BZZUOQCTLIWFDE-LLVKDONJSA-N 1 0 397.457 0.040 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420015024 1194161952 /nfs/dbraw/zinc/16/19/52/1194161952.db2.gz KSDIBIITZOWSTM-LSDHHAIUSA-N 1 0 389.456 0.877 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420015022 1194162112 /nfs/dbraw/zinc/16/21/12/1194162112.db2.gz KSDIBIITZOWSTM-GJZGRUSLSA-N 1 0 389.456 0.877 20 5 GCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC000420058588 1194163642 /nfs/dbraw/zinc/16/36/42/1194163642.db2.gz FOGUNUFWNLVRNN-KRWDZBQOSA-N 1 0 389.456 0.877 20 5 GCBDRO CC(C)([NH3+])CNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420071021 1194172238 /nfs/dbraw/zinc/17/22/38/1194172238.db2.gz DDTVLUBVUSMAKC-UHFFFAOYSA-N 1 0 391.350 0.995 20 5 GCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000420074562 1194173089 /nfs/dbraw/zinc/17/30/89/1194173089.db2.gz QRYZMEZEQKKKGM-AWEZNQCLSA-N 1 0 390.444 0.272 20 5 GCBDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420077100 1194173166 /nfs/dbraw/zinc/17/31/66/1194173166.db2.gz BOZIJRDYHXIOIH-UHFFFAOYSA-N 1 0 377.445 0.877 20 5 GCBDRO CC1(CNC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]CC1 ZINC000420082937 1194174554 /nfs/dbraw/zinc/17/45/54/1194174554.db2.gz KOBJPVRPPFIRGT-UHFFFAOYSA-N 1 0 389.456 0.749 20 5 GCBDRO C[C@@]1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC[NH2+]C1 ZINC000420101137 1194178119 /nfs/dbraw/zinc/17/81/19/1194178119.db2.gz LHJFBVSZPFZTOV-GOSISDBHSA-N 1 0 376.413 0.690 20 5 GCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420139381 1194188264 /nfs/dbraw/zinc/18/82/64/1194188264.db2.gz HUPRXAFWNCNCSX-SECBINFHSA-N 1 0 391.350 0.866 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420197918 1194202457 /nfs/dbraw/zinc/20/24/57/1194202457.db2.gz VRKFKJKTOUYHSZ-INIZCTEOSA-N 1 0 376.413 0.581 20 5 GCBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420204388 1194204434 /nfs/dbraw/zinc/20/44/34/1194204434.db2.gz HYVWDQDRJCWJDP-MGPQQGTHSA-N 1 0 388.424 0.689 20 5 GCBDRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420222835 1194210430 /nfs/dbraw/zinc/21/04/30/1194210430.db2.gz TXBFHIVZKGIDLP-UHFFFAOYSA-N 1 0 387.440 0.669 20 5 GCBDRO CC1(C)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420282618 1194220567 /nfs/dbraw/zinc/22/05/67/1194220567.db2.gz SJGVRLGZMUOSJS-UHFFFAOYSA-N 1 0 384.458 0.804 20 5 GCBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349103 1194223260 /nfs/dbraw/zinc/22/32/60/1194223260.db2.gz NSPATQVDNVXIGV-ZIAGYGMSSA-N 1 0 377.445 0.910 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420482492 1194231960 /nfs/dbraw/zinc/23/19/60/1194231960.db2.gz UNEPPNGOBXTWSR-CQSZACIVSA-N 1 0 380.430 0.979 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000366679037 1194262871 /nfs/dbraw/zinc/26/28/71/1194262871.db2.gz QAYOJXUWZNVGGR-SJKOYZFVSA-N 1 0 396.469 0.916 20 5 GCBDRO CO[C@@H]1COC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000413465358 1194267419 /nfs/dbraw/zinc/26/74/19/1194267419.db2.gz ZBZICXTXQRQOBG-DZGCQCFKSA-N 1 0 388.446 0.260 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000420979074 1194280591 /nfs/dbraw/zinc/28/05/91/1194280591.db2.gz YRWMPLJLOMWNBQ-OAHLLOKOSA-N 1 0 386.474 0.260 20 5 GCBDRO Cc1nn(CCC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000518814860 1194306765 /nfs/dbraw/zinc/30/67/65/1194306765.db2.gz XTLQDPJKTWLPLZ-UHFFFAOYSA-N 1 0 394.476 0.857 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413893801 1194357009 /nfs/dbraw/zinc/35/70/09/1194357009.db2.gz BMAAAILVPHCTBU-CHWSQXEVSA-N 1 0 396.448 0.390 20 5 GCBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421971333 1194376069 /nfs/dbraw/zinc/37/60/69/1194376069.db2.gz APJSXLUVMIVPIH-SWLSCSKDSA-N 1 0 384.458 0.529 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422017436 1194379020 /nfs/dbraw/zinc/37/90/20/1194379020.db2.gz HUPJNOMHLIWLAX-AWEZNQCLSA-N 1 0 384.458 0.816 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422124633 1194390461 /nfs/dbraw/zinc/39/04/61/1194390461.db2.gz ZGBOWEJAHYNLKV-AWEZNQCLSA-N 1 0 390.444 0.191 20 5 GCBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000503188086 1194404169 /nfs/dbraw/zinc/40/41/69/1194404169.db2.gz GKUWPQPSVKXXBH-HNNXBMFYSA-N 1 0 384.458 0.864 20 5 GCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000272065487 1194433721 /nfs/dbraw/zinc/43/37/21/1194433721.db2.gz XMJJHAXLGBAGGF-CQSZACIVSA-N 1 0 377.445 0.407 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422225360 1194591198 /nfs/dbraw/zinc/59/11/98/1194591198.db2.gz GTBYVUUYXCUKAU-CYBMUJFWSA-N 1 0 399.473 0.609 20 5 GCBDRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[N@H+](C)C1CC1 ZINC000422305162 1194611023 /nfs/dbraw/zinc/61/10/23/1194611023.db2.gz JPAVNLYIYVFTIV-ZDUSSCGKSA-N 1 0 390.444 0.237 20 5 GCBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000422337030 1194619713 /nfs/dbraw/zinc/61/97/13/1194619713.db2.gz ICLLOZROCKPDSP-GFCCVEGCSA-N 1 0 388.428 0.935 20 5 GCBDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000422925431 1194708415 /nfs/dbraw/zinc/70/84/15/1194708415.db2.gz VEMORFPMPCGVAO-BBRMVZONSA-N 1 0 396.469 0.816 20 5 GCBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000422925434 1194708459 /nfs/dbraw/zinc/70/84/59/1194708459.db2.gz VEMORFPMPCGVAO-XJKSGUPXSA-N 1 0 396.469 0.816 20 5 GCBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422989149 1194713306 /nfs/dbraw/zinc/71/33/06/1194713306.db2.gz KNEZWEHECZDHQE-AWEZNQCLSA-N 1 0 375.429 0.454 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422988694 1194713326 /nfs/dbraw/zinc/71/33/26/1194713326.db2.gz JUCUOWOZBVFFMY-OAHLLOKOSA-N 1 0 389.456 0.831 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1C[NH3+] ZINC000422989946 1194713698 /nfs/dbraw/zinc/71/36/98/1194713698.db2.gz MQMFWOLIHPZTSX-HUUCEWRRSA-N 1 0 389.456 0.687 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000423097132 1194727438 /nfs/dbraw/zinc/72/74/38/1194727438.db2.gz ISEOKLBXJLTJEW-OAHLLOKOSA-N 1 0 376.413 0.662 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCO1 ZINC000423113006 1194730760 /nfs/dbraw/zinc/73/07/60/1194730760.db2.gz YAGRCTQDXYPLNS-INIZCTEOSA-N 1 0 376.413 0.662 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423147352 1194731297 /nfs/dbraw/zinc/73/12/97/1194731297.db2.gz CJWJEFVMLLOXOQ-GOSISDBHSA-N 1 0 375.429 0.441 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423153329 1194731979 /nfs/dbraw/zinc/73/19/79/1194731979.db2.gz NDQAZMGEYOKDTL-RHSMWYFYSA-N 1 0 387.440 0.454 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423159598 1194733891 /nfs/dbraw/zinc/73/38/91/1194733891.db2.gz YKKQQHANKCLTTM-HNNXBMFYSA-N 1 0 389.456 0.831 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423160540 1194734003 /nfs/dbraw/zinc/73/40/03/1194734003.db2.gz ZOWWXFZEVGCBGO-HUUCEWRRSA-N 1 0 387.440 0.311 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423160538 1194734095 /nfs/dbraw/zinc/73/40/95/1194734095.db2.gz ZOWWXFZEVGCBGO-CABCVRRESA-N 1 0 387.440 0.311 20 5 GCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423395589 1194753274 /nfs/dbraw/zinc/75/32/74/1194753274.db2.gz RBICNVMBOHSTJA-CYBMUJFWSA-N 1 0 376.413 0.785 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)C[C@@H]21 ZINC000423564562 1194767405 /nfs/dbraw/zinc/76/74/05/1194767405.db2.gz ARKKJMUYBCTSHI-OAUYIBNBSA-N 1 0 388.424 0.770 20 5 GCBDRO O=C(C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423579782 1194770195 /nfs/dbraw/zinc/77/01/95/1194770195.db2.gz POGDKBBNCQITMO-UHFFFAOYSA-N 1 0 388.424 0.787 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000423583343 1194771049 /nfs/dbraw/zinc/77/10/49/1194771049.db2.gz YYXKHTIYLBXJAC-GFCCVEGCSA-N 1 0 376.413 0.770 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423584336 1194771100 /nfs/dbraw/zinc/77/11/00/1194771100.db2.gz DHTZYBFARKQJMO-AWEZNQCLSA-N 1 0 390.444 0.096 20 5 GCBDRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423601029 1194775365 /nfs/dbraw/zinc/77/53/65/1194775365.db2.gz BMIUKLMGBSSXMB-UHFFFAOYSA-N 1 0 376.413 0.787 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423627207 1194778750 /nfs/dbraw/zinc/77/87/50/1194778750.db2.gz HBPAXZGFTKHWSI-KGLIPLIRSA-N 1 0 375.429 0.439 20 5 GCBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423991958 1194797217 /nfs/dbraw/zinc/79/72/17/1194797217.db2.gz NIDVPSYXYDULMX-HUUCEWRRSA-N 1 0 396.469 0.551 20 5 GCBDRO [NH3+]C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000423958066 1194797401 /nfs/dbraw/zinc/79/74/01/1194797401.db2.gz MFJNXTVEVSONDA-HNNXBMFYSA-N 1 0 384.458 0.897 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000423998467 1194798008 /nfs/dbraw/zinc/79/80/08/1194798008.db2.gz ZPRIJJMVJWOEJY-ZBFHGGJFSA-N 1 0 376.413 0.612 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424392349 1194809224 /nfs/dbraw/zinc/80/92/24/1194809224.db2.gz PGYMCRZINYYSQY-WCQYABFASA-N 1 0 399.404 0.591 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424449882 1194812334 /nfs/dbraw/zinc/81/23/34/1194812334.db2.gz UPXXXMWTEVBDRI-QWHCGFSZSA-N 1 0 388.384 0.229 20 5 GCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425047866 1194836666 /nfs/dbraw/zinc/83/66/66/1194836666.db2.gz AAUGZHJKPZVQSC-GOEBONIOSA-N 1 0 375.429 0.947 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434416497 1194844071 /nfs/dbraw/zinc/84/40/71/1194844071.db2.gz PCLOYWFPXQUROT-CJNGLKHVSA-N 1 0 378.429 0.676 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975709 1194880872 /nfs/dbraw/zinc/88/08/72/1194880872.db2.gz FVDUXUFPNPBSRV-KBPBESRZSA-N 1 0 396.444 0.555 20 5 GCBDRO CN(CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000435244305 1194905362 /nfs/dbraw/zinc/90/53/62/1194905362.db2.gz ZZGSPATZVSOYLY-CQSZACIVSA-N 1 0 382.442 0.568 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435753391 1194963824 /nfs/dbraw/zinc/96/38/24/1194963824.db2.gz REHDHNREEPPIAC-CYBMUJFWSA-N 1 0 384.458 0.864 20 5 GCBDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000515347687 1194969569 /nfs/dbraw/zinc/96/95/69/1194969569.db2.gz IERYDXYRHPXNIC-AWEZNQCLSA-N 1 0 383.430 0.192 20 5 GCBDRO CC[NH2+]CCCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000517139723 1195140763 /nfs/dbraw/zinc/14/07/63/1195140763.db2.gz MFAQXPRSXZLWEM-UHFFFAOYSA-N 1 0 377.445 0.993 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000517738153 1195211434 /nfs/dbraw/zinc/21/14/34/1195211434.db2.gz DPHXLEWFFVXDNX-KGLIPLIRSA-N 1 0 379.465 0.333 20 5 GCBDRO Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000517922014 1195230119 /nfs/dbraw/zinc/23/01/19/1195230119.db2.gz BIXPZVLZDHBDTP-LBPRGKRZSA-N 1 0 391.457 0.508 20 5 GCBDRO [NH3+]C1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000518766873 1195328067 /nfs/dbraw/zinc/32/80/67/1195328067.db2.gz YISIPOCPVAUTPS-AWEZNQCLSA-N 1 0 382.442 0.746 20 5 GCBDRO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000550153408 1195449479 /nfs/dbraw/zinc/44/94/79/1195449479.db2.gz HDXHKQRJVMNSNM-UHFFFAOYSA-N 1 0 382.442 0.943 20 5 GCBDRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000262060058 1195481949 /nfs/dbraw/zinc/48/19/49/1195481949.db2.gz NUHUYESKEMNGHF-CZUORRHYSA-N 1 0 396.469 0.864 20 5 GCBDRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3ccccc3[N+](=O)[O-])n2)CC1 ZINC000427018073 1195501181 /nfs/dbraw/zinc/50/11/81/1195501181.db2.gz YTOAASHEXNUXIF-UHFFFAOYSA-N 1 0 386.412 1.313 20 5 GCBDRO NC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496107 1195513564 /nfs/dbraw/zinc/51/35/64/1195513564.db2.gz QVVTXZLAZHMLOQ-CHWSQXEVSA-N 1 0 376.417 0.200 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427337030 1195527155 /nfs/dbraw/zinc/52/71/55/1195527155.db2.gz FUGRKEYXMKWKJB-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000427340833 1195529428 /nfs/dbraw/zinc/52/94/28/1195529428.db2.gz YCKGJIHVHMFDLG-ZDUSSCGKSA-N 1 0 382.442 0.427 20 5 GCBDRO O=C(C[C@H]1CCC[NH2+]CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000427346643 1195529795 /nfs/dbraw/zinc/52/97/95/1195529795.db2.gz KBIUXMMLIFZZME-ZDUSSCGKSA-N 1 0 384.458 0.769 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000427389992 1195534828 /nfs/dbraw/zinc/53/48/28/1195534828.db2.gz HZGZNWIMTVGRBG-CYBMUJFWSA-N 1 0 396.469 0.647 20 5 GCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000519697865 1195563519 /nfs/dbraw/zinc/56/35/19/1195563519.db2.gz JJRWVJIBJJRFNF-CQSZACIVSA-N 1 0 395.437 0.903 20 5 GCBDRO CN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000519764627 1195568559 /nfs/dbraw/zinc/56/85/59/1195568559.db2.gz BFGUQKXRIJVWAN-KZULUSFZSA-N 1 0 389.412 0.997 20 5 GCBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000129449575 1195598522 /nfs/dbraw/zinc/59/85/22/1195598522.db2.gz ONLBPSNHBBSBDE-HNNXBMFYSA-N 1 0 388.428 0.998 20 5 GCBDRO NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000520252939 1195612657 /nfs/dbraw/zinc/61/26/57/1195612657.db2.gz LGAJGGWWTWFZCH-CYBMUJFWSA-N 1 0 384.458 0.933 20 5 GCBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266793870 1195649393 /nfs/dbraw/zinc/64/93/93/1195649393.db2.gz WTGNDMRKGLFEOZ-UONOGXRCSA-N 1 0 382.442 0.907 20 5 GCBDRO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000459034372 1195756792 /nfs/dbraw/zinc/75/67/92/1195756792.db2.gz CROSDKOAMPJMMM-ZDUSSCGKSA-N 1 0 399.473 0.561 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000473987963 1195757411 /nfs/dbraw/zinc/75/74/11/1195757411.db2.gz QICCAFDILKVKRP-LBPRGKRZSA-N 1 0 388.398 0.050 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991581 1195772829 /nfs/dbraw/zinc/77/28/29/1195772829.db2.gz RVJLZUCATGRONF-BBRMVZONSA-N 1 0 395.412 0.872 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441602748 1195793527 /nfs/dbraw/zinc/79/35/27/1195793527.db2.gz XECWVRBAYMNUSX-IUODEOHRSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000441629190 1195802047 /nfs/dbraw/zinc/80/20/47/1195802047.db2.gz VXNFHSMSWXICKA-OLZOCXBDSA-N 1 0 384.458 0.707 20 5 GCBDRO COCC[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000141604669 1195828042 /nfs/dbraw/zinc/82/80/42/1195828042.db2.gz GMPSFQGPTUTTMW-ZDUSSCGKSA-N 1 0 378.429 0.940 20 5 GCBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000428196788 1195920007 /nfs/dbraw/zinc/92/00/07/1195920007.db2.gz FXJASNYJKLZCQG-UHFFFAOYSA-N 1 0 384.820 0.907 20 5 GCBDRO C[C@H]1CN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C[C@H]1O ZINC000508367905 1195921166 /nfs/dbraw/zinc/92/11/66/1195921166.db2.gz CGGKYZYYXCJQKN-BLLLJJGKSA-N 1 0 386.474 0.642 20 5 GCBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000520825052 1195924235 /nfs/dbraw/zinc/92/42/35/1195924235.db2.gz TXAIUFCNNDZPQU-CYBMUJFWSA-N 1 0 384.458 0.721 20 5 GCBDRO COc1cc(S(=O)(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000521044245 1195957018 /nfs/dbraw/zinc/95/70/18/1195957018.db2.gz UVMHCTDEEKRQAN-LBPRGKRZSA-N 1 0 385.442 0.979 20 5 GCBDRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000429683329 1196076715 /nfs/dbraw/zinc/07/67/15/1196076715.db2.gz QHPSKHTWTPLNDT-LBPRGKRZSA-N 1 0 382.442 0.709 20 5 GCBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000474362676 1196111878 /nfs/dbraw/zinc/11/18/78/1196111878.db2.gz JZJNZBPHXWQPDM-AWEZNQCLSA-N 1 0 395.412 0.874 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000474364033 1196112205 /nfs/dbraw/zinc/11/22/05/1196112205.db2.gz ZGNBEYOYZHAGFV-UHFFFAOYSA-N 1 0 394.428 0.400 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280880205 1196264109 /nfs/dbraw/zinc/26/41/09/1196264109.db2.gz OZSNNOUOURHCRV-WBMJQRKESA-N 1 0 382.442 0.379 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1 ZINC000280895317 1196264780 /nfs/dbraw/zinc/26/47/80/1196264780.db2.gz ZYFMNPGXHRXOHS-UHFFFAOYSA-N 1 0 396.469 0.960 20 5 GCBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280949038 1196268317 /nfs/dbraw/zinc/26/83/17/1196268317.db2.gz MCVXYXAIGFWHPP-CHWSQXEVSA-N 1 0 384.458 0.862 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000280948085 1196268386 /nfs/dbraw/zinc/26/83/86/1196268386.db2.gz XAAHDNPHHPMTQV-OTWHNJEPSA-N 1 0 387.440 0.737 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000281191079 1196282789 /nfs/dbraw/zinc/28/27/89/1196282789.db2.gz KGZOAKKCRXLELX-NEPJUHHUSA-N 1 0 382.442 0.615 20 5 GCBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)cc2n(C)c1=O ZINC000897218056 1196405733 /nfs/dbraw/zinc/40/57/33/1196405733.db2.gz AOQUMBDWSKMYFQ-OLZOCXBDSA-N 1 0 375.429 0.821 20 5 GCBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000444363974 1196427367 /nfs/dbraw/zinc/42/73/67/1196427367.db2.gz OUCUTUOMLFZIBJ-UHFFFAOYSA-N 1 0 378.385 0.292 20 5 GCBDRO NC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000440496109 1196511278 /nfs/dbraw/zinc/51/12/78/1196511278.db2.gz QVVTXZLAZHMLOQ-OLZOCXBDSA-N 1 0 376.417 0.200 20 5 GCBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523987875 1196570203 /nfs/dbraw/zinc/57/02/03/1196570203.db2.gz MCHQUKHYPFLFRE-CYBMUJFWSA-N 1 0 399.473 0.609 20 5 GCBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000524052068 1196574293 /nfs/dbraw/zinc/57/42/93/1196574293.db2.gz NXGROPYZEFIBMX-UHFFFAOYSA-N 1 0 384.458 0.791 20 5 GCBDRO CO[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C[NH3+])C1 ZINC000440834951 1196586904 /nfs/dbraw/zinc/58/69/04/1196586904.db2.gz BFUREICIOSCANS-WDEREUQCSA-N 1 0 387.414 0.493 20 5 GCBDRO CCOC(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc([N+](=O)[O-])c1 ZINC000524607764 1196609414 /nfs/dbraw/zinc/60/94/14/1196609414.db2.gz SGDOKSKFGXIDJR-HNNXBMFYSA-N 1 0 392.412 0.841 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000525106749 1196649049 /nfs/dbraw/zinc/64/90/49/1196649049.db2.gz VWLUEOODWYNZIH-AWEZNQCLSA-N 1 0 384.458 0.816 20 5 GCBDRO COC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000446758276 1196669058 /nfs/dbraw/zinc/66/90/58/1196669058.db2.gz GYVVWVBKLSUGGD-MRXNPFEDSA-N 1 0 387.458 0.904 20 5 GCBDRO COC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000446928025 1196683594 /nfs/dbraw/zinc/68/35/94/1196683594.db2.gz JSFGHFMNFGQRME-AWEZNQCLSA-N 1 0 387.458 0.904 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429716498 1196693315 /nfs/dbraw/zinc/69/33/15/1196693315.db2.gz ALFCAPSGZQRZHW-HUUCEWRRSA-N 1 0 396.469 0.934 20 5 GCBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429716495 1196693379 /nfs/dbraw/zinc/69/33/79/1196693379.db2.gz ALFCAPSGZQRZHW-GJZGRUSLSA-N 1 0 396.469 0.934 20 5 GCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000447240995 1196701585 /nfs/dbraw/zinc/70/15/85/1196701585.db2.gz VUWPRPAEFAPAAP-LLVKDONJSA-N 1 0 388.421 0.742 20 5 GCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCNS(=O)(=O)Cc2ccon2)n1 ZINC000447587690 1196731959 /nfs/dbraw/zinc/73/19/59/1196731959.db2.gz RVLVUQCPKHKFEA-KGLIPLIRSA-N 1 0 398.445 0.972 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000429720160 1196736113 /nfs/dbraw/zinc/73/61/13/1196736113.db2.gz PKMASETWQXRHCA-LSDHHAIUSA-N 1 0 396.469 0.934 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000449734944 1196895929 /nfs/dbraw/zinc/89/59/29/1196895929.db2.gz SLHBFVPQCILIGB-XHDPSFHLSA-N 1 0 397.457 0.255 20 5 GCBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000449749069 1196896679 /nfs/dbraw/zinc/89/66/79/1196896679.db2.gz OLAWZUARBOAHON-ZDUSSCGKSA-N 1 0 385.446 0.301 20 5 GCBDRO CCN1C[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1=O ZINC000450763021 1196952793 /nfs/dbraw/zinc/95/27/93/1196952793.db2.gz OVAYZFITGLLMMI-GFCCVEGCSA-N 1 0 399.473 0.467 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450785160 1196953960 /nfs/dbraw/zinc/95/39/60/1196953960.db2.gz FBSCUTVELLCAIP-SUMWQHHRSA-N 1 0 397.501 0.575 20 5 GCBDRO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451109039 1196970706 /nfs/dbraw/zinc/97/07/06/1196970706.db2.gz XPYZTQSLZUIPLL-AWEZNQCLSA-N 1 0 377.445 0.478 20 5 GCBDRO C[NH+]1CCC(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000531051717 1197042447 /nfs/dbraw/zinc/04/24/47/1197042447.db2.gz PKEDFTCVVTYDEE-UHFFFAOYSA-N 1 0 384.458 0.868 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452366650 1197056363 /nfs/dbraw/zinc/05/63/63/1197056363.db2.gz OWZXLFLEDJKDKS-KGLIPLIRSA-N 1 0 382.465 0.790 20 5 GCBDRO Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000520220212 1197091907 /nfs/dbraw/zinc/09/19/07/1197091907.db2.gz VGSDPTIMAUNUOR-KBPBESRZSA-N 1 0 375.385 0.463 20 5 GCBDRO NC(=O)c1ccc(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c([N+](=O)[O-])c1 ZINC000520225479 1197093686 /nfs/dbraw/zinc/09/36/86/1197093686.db2.gz IBGBJXCITMMZPY-YVEFUNNKSA-N 1 0 375.385 0.633 20 5 GCBDRO [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000428517061 1197173275 /nfs/dbraw/zinc/17/32/75/1197173275.db2.gz OOXQVPVPGFPLBR-CZUORRHYSA-N 1 0 396.469 0.945 20 5 GCBDRO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000428517060 1197173423 /nfs/dbraw/zinc/17/34/23/1197173423.db2.gz OOXQVPVPGFPLBR-CJNGLKHVSA-N 1 0 396.469 0.945 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000171136593 1197312582 /nfs/dbraw/zinc/31/25/82/1197312582.db2.gz GAJSJQUUKAGYLG-ZIAGYGMSSA-N 1 0 377.445 0.465 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000171136596 1197312894 /nfs/dbraw/zinc/31/28/94/1197312894.db2.gz GAJSJQUUKAGYLG-KBPBESRZSA-N 1 0 377.445 0.465 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429728775 1197333375 /nfs/dbraw/zinc/33/33/75/1197333375.db2.gz ZROXAUAZQDRYPL-NUEKZKHPSA-N 1 0 387.458 0.785 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000429729437 1197335607 /nfs/dbraw/zinc/33/56/07/1197335607.db2.gz IITOZWQWXGOEKB-QWHCGFSZSA-N 1 0 382.442 0.555 20 5 GCBDRO CC1(C)CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614829353 1197365588 /nfs/dbraw/zinc/36/55/88/1197365588.db2.gz XCEKWWUQEXMKCC-UHFFFAOYSA-N 1 0 392.456 0.960 20 5 GCBDRO C[C@@H](CC(N)=O)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000441815367 1197392751 /nfs/dbraw/zinc/39/27/51/1197392751.db2.gz XJRBLWZIWBJMNM-NSHDSACASA-N 1 0 387.462 0.501 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429738933 1197404014 /nfs/dbraw/zinc/40/40/14/1197404014.db2.gz PVWCLGZAOONOKS-KGLIPLIRSA-N 1 0 396.469 0.945 20 5 GCBDRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000429742446 1197404551 /nfs/dbraw/zinc/40/45/51/1197404551.db2.gz ZGMFVZPXEJVEQC-UHFFFAOYSA-N 1 0 396.469 0.947 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000429745551 1197404553 /nfs/dbraw/zinc/40/45/53/1197404553.db2.gz RBZIUHNALUHATM-LSDHHAIUSA-N 1 0 382.442 0.555 20 5 GCBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743732 1197404555 /nfs/dbraw/zinc/40/45/55/1197404555.db2.gz LYGMWDLXDZMOFJ-IUODEOHRSA-N 1 0 384.458 0.801 20 5 GCBDRO CNc1nc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000455336592 1197456214 /nfs/dbraw/zinc/45/62/14/1197456214.db2.gz ZHSZKSGTASZWJF-AWEZNQCLSA-N 1 0 378.433 0.704 20 5 GCBDRO CCn1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])n1 ZINC000533634212 1197463438 /nfs/dbraw/zinc/46/34/38/1197463438.db2.gz RJQSRWTZMBXGSJ-UHFFFAOYSA-N 1 0 387.462 0.735 20 5 GCBDRO C[N@H+]1CC=C(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273394717 1198976165 /nfs/dbraw/zinc/97/61/65/1198976165.db2.gz FGAQRTYMFCQVCF-UHFFFAOYSA-N 1 0 382.442 0.930 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396034 1198977404 /nfs/dbraw/zinc/97/74/04/1198977404.db2.gz VQPRSLIZXYXMKP-WBVHZDCISA-N 1 0 392.456 0.573 20 5 GCBDRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273602506 1199041887 /nfs/dbraw/zinc/04/18/87/1199041887.db2.gz JSOGCJFDVBWWSR-UHFFFAOYSA-N 1 0 384.458 0.673 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465768086 1199059490 /nfs/dbraw/zinc/05/94/90/1199059490.db2.gz GVPIHYKAPPLNOD-OLZOCXBDSA-N 1 0 399.473 0.655 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273740418 1199065060 /nfs/dbraw/zinc/06/50/60/1199065060.db2.gz VMRJAVQAFWANBM-UHFFFAOYSA-N 1 0 398.485 0.911 20 5 GCBDRO CNC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301821184 1199393509 /nfs/dbraw/zinc/39/35/09/1199393509.db2.gz LWWLONAARGMGGD-HNNXBMFYSA-N 1 0 375.429 0.873 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000422985866 1199459368 /nfs/dbraw/zinc/45/93/68/1199459368.db2.gz ASADVTDUPOCGLG-IBGZPJMESA-N 1 0 387.440 0.598 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000265882446 1199852889 /nfs/dbraw/zinc/85/28/89/1199852889.db2.gz CDQDULXACVNWOG-CYBMUJFWSA-N 1 0 393.444 0.085 20 5 GCBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330601203 1199858934 /nfs/dbraw/zinc/85/89/34/1199858934.db2.gz GGEPYEUXTLEKFL-STQMWFEESA-N 1 0 384.458 0.814 20 5 GCBDRO COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000331266356 1199868572 /nfs/dbraw/zinc/86/85/72/1199868572.db2.gz CIFXCOSMGGQZGZ-CQSZACIVSA-N 1 0 376.413 0.982 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000466543233 1199961990 /nfs/dbraw/zinc/96/19/90/1199961990.db2.gz XSQQQBXGYAKWGL-UHFFFAOYSA-N 1 0 394.428 0.466 20 5 GCBDRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000543494502 1199963759 /nfs/dbraw/zinc/96/37/59/1199963759.db2.gz JZWJCBISKVBQNN-LLVKDONJSA-N 1 0 394.384 0.522 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000429168637 1199988931 /nfs/dbraw/zinc/98/89/31/1199988931.db2.gz DLXPHSGQLKOWPC-ABAIWWIYSA-N 1 0 399.473 0.630 20 5 GCBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000246791973 1200419494 /nfs/dbraw/zinc/41/94/94/1200419494.db2.gz RIFPCGYYGXPPFP-KBPBESRZSA-N 1 0 378.433 0.240 20 5 GCBDRO CNc1nccc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000566436357 1200738910 /nfs/dbraw/zinc/73/89/10/1200738910.db2.gz GWPFFJUWDJVXNM-UHFFFAOYSA-N 1 0 378.433 0.704 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429298001 1200746631 /nfs/dbraw/zinc/74/66/31/1200746631.db2.gz WHFBIYRKBRJOHT-SWLSCSKDSA-N 1 0 384.458 0.897 20 5 GCBDRO O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000582974143 1200789098 /nfs/dbraw/zinc/78/90/98/1200789098.db2.gz SZQKZTAANNXDKP-KRWDZBQOSA-N 1 0 399.455 0.846 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000461993845 1201014983 /nfs/dbraw/zinc/01/49/83/1201014983.db2.gz VOLMDLZDRVGGQI-LBPRGKRZSA-N 1 0 378.437 1.224 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000728060468 1201392206 /nfs/dbraw/zinc/39/22/06/1201392206.db2.gz QXYBECFJYGCSHJ-NSHDSACASA-N 1 0 388.421 0.600 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000728076750 1201397073 /nfs/dbraw/zinc/39/70/73/1201397073.db2.gz DSRUHAOVUPFDJT-CQSZACIVSA-N 1 0 388.428 0.648 20 5 GCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001169030355 1201930511 /nfs/dbraw/zinc/93/05/11/1201930511.db2.gz YZJZKKTWLOIYHK-JFIYKMOQSA-N 1 0 377.445 0.830 20 5 GCBDRO 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 ZINC001169030388 1201930719 /nfs/dbraw/zinc/93/07/19/1201930719.db2.gz ZFQWCHTVXGJQRJ-IQWQSGHPSA-N 1 0 389.456 0.989 20 5 GCBDRO Cn1ccnc1C(=O)N[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169030139 1201930747 /nfs/dbraw/zinc/93/07/47/1201930747.db2.gz WVFGPSNDXSGJQT-YIDVYQOGSA-N 1 0 377.445 0.827 20 5 GCBDRO CNC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001169019160 1201930966 /nfs/dbraw/zinc/93/09/66/1201930966.db2.gz FBSNVLCVUCWJQS-WFXMFSGNSA-N 1 0 388.472 0.939 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH+](CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC001169048484 1201931366 /nfs/dbraw/zinc/93/13/66/1201931366.db2.gz BHLHUKXROOVHQW-UHFFFAOYSA-N 1 0 392.456 0.940 20 5 GCBDRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169023963 1201931410 /nfs/dbraw/zinc/93/14/10/1201931410.db2.gz WFTNWBPDZSFZTF-DZGCQCFKSA-N 1 0 393.444 0.157 20 5 GCBDRO 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 ZINC001169026510 1201931624 /nfs/dbraw/zinc/93/16/24/1201931624.db2.gz XZPFBLKNKORCDO-PEJOBZMASA-N 1 0 391.472 0.932 20 5 GCBDRO Cn1c(=O)cc(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n(-c2ccccc2)c1=O ZINC001169957533 1201960265 /nfs/dbraw/zinc/96/02/65/1201960265.db2.gz DKBZUOQTOJCHKL-UHFFFAOYSA-N 1 0 395.379 0.665 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000767262671 1201969357 /nfs/dbraw/zinc/96/93/57/1201969357.db2.gz MQSPXPLTKOUFIJ-AWEZNQCLSA-N 1 0 397.457 0.161 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000767446357 1201973785 /nfs/dbraw/zinc/97/37/85/1201973785.db2.gz SZFFWECNMVWQDS-OKILXGFUSA-N 1 0 391.380 0.727 20 5 GCBDRO O=C(NCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001170420920 1205493677 /nfs/dbraw/zinc/49/36/77/1205493677.db2.gz MCNONKOXAXHXCY-UHFFFAOYSA-N 1 0 377.792 0.962 20 5 GCBDRO COCCOCCOCCOCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170473267 1205529344 /nfs/dbraw/zinc/52/93/44/1205529344.db2.gz HYVUTPGQSHZMEL-UHFFFAOYSA-N 1 0 385.421 0.180 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000747412409 1205587899 /nfs/dbraw/zinc/58/78/99/1205587899.db2.gz NXTNKCVINLVOCP-UHFFFAOYSA-N 1 0 381.385 0.368 20 5 GCBDRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001133923521 1205680446 /nfs/dbraw/zinc/68/04/46/1205680446.db2.gz OWHSSCOLDDRQLF-HOCLYGCPSA-N 1 0 396.469 0.958 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC001170774575 1205697284 /nfs/dbraw/zinc/69/72/84/1205697284.db2.gz DMVARCZVFAINCI-ZDUSSCGKSA-N 1 0 394.428 0.295 20 5 GCBDRO O=C1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 ZINC001173691123 1205726495 /nfs/dbraw/zinc/72/64/95/1205726495.db2.gz JDONWZSLZKWFRM-GFCCVEGCSA-N 1 0 396.425 0.143 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCO[C@@H](CO)C2)CC1 ZINC001173696224 1205726590 /nfs/dbraw/zinc/72/65/90/1205726590.db2.gz QGJJEGZORLNSAD-CQSZACIVSA-N 1 0 385.442 0.441 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCn2cnnc2)CC1 ZINC001173693456 1205726648 /nfs/dbraw/zinc/72/66/48/1205726648.db2.gz PDOPHJUKKQTFCF-UHFFFAOYSA-N 1 0 380.430 0.629 20 5 GCBDRO CCNC(=O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695549 1205726673 /nfs/dbraw/zinc/72/66/73/1205726673.db2.gz GIBJSHDGGIOLJQ-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001173697942 1205726710 /nfs/dbraw/zinc/72/67/10/1205726710.db2.gz XPGFJMNLBYKOLF-CJNGLKHVSA-N 1 0 399.469 0.423 20 5 GCBDRO COc1ccc(NC(=O)CC[N@@H+]2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC001176523618 1205748736 /nfs/dbraw/zinc/74/87/36/1205748736.db2.gz FTEUUWDGXRKZHF-GOSISDBHSA-N 1 0 394.428 0.311 20 5 GCBDRO COc1cc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c([N+](=O)[O-])cc1O ZINC001177804820 1205777105 /nfs/dbraw/zinc/77/71/05/1205777105.db2.gz SZQMCBVBJFIRKK-HNNXBMFYSA-N 1 0 380.445 0.805 20 5 GCBDRO O=C(NCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)Nc1cccc([N+](=O)[O-])c1 ZINC001180052602 1205817376 /nfs/dbraw/zinc/81/73/76/1205817376.db2.gz BWVQQOZAYHDSCW-CVEARBPZSA-N 1 0 391.428 0.774 20 5 GCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)N2CCOCC2)n1 ZINC000774240278 1205866103 /nfs/dbraw/zinc/86/61/03/1205866103.db2.gz WVQNTCXBWGGIHB-ZIAGYGMSSA-N 1 0 387.462 0.527 20 5 GCBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001184371959 1205909048 /nfs/dbraw/zinc/90/90/48/1205909048.db2.gz ZVFXSROEPVBHQN-ZDUSSCGKSA-N 1 0 376.413 0.634 20 5 GCBDRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1c([N+](=O)[O-])ncn1C ZINC001186854830 1205950635 /nfs/dbraw/zinc/95/06/35/1205950635.db2.gz OUNUBXIQZRXTCF-UHFFFAOYSA-N 1 0 386.412 0.993 20 5 GCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738131 720697151 /nfs/dbraw/zinc/69/71/51/720697151.db2.gz ILLFSYLOYDYGOP-OLZOCXBDSA-N 1 0 387.400 0.834 20 5 GCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164751776 720959497 /nfs/dbraw/zinc/95/94/97/720959497.db2.gz UEUHVEVLLNLPDR-UHFFFAOYSA-N 1 0 390.400 0.379 20 5 GCBDRO CCn1cc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000432291935 530189401 /nfs/dbraw/zinc/18/94/01/530189401.db2.gz PGDPXZHHVJXXKL-GFCCVEGCSA-N 1 0 375.451 0.590 20 5 GCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732856 530194225 /nfs/dbraw/zinc/19/42/25/530194225.db2.gz DWEABQWQDHFTLC-MWLCHTKSSA-N 1 0 383.202 0.741 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261600177 530255907 /nfs/dbraw/zinc/25/59/07/530255907.db2.gz AZGVNJDBFVZROW-SNVBAGLBSA-N 1 0 390.849 0.724 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000567986985 530477220 /nfs/dbraw/zinc/47/72/20/530477220.db2.gz LCKOBPTXHUOFNI-SNVBAGLBSA-N 1 0 393.263 0.621 20 5 GCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000590370351 530678377 /nfs/dbraw/zinc/67/83/77/530678377.db2.gz XYCDDBLIUAOSMO-MRVPVSSYSA-N 1 0 393.181 0.852 20 5 GCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000590370275 530678388 /nfs/dbraw/zinc/67/83/88/530678388.db2.gz XOGINUIPQLPRRC-JTQLQIEISA-N 1 0 393.181 0.852 20 5 GCBDRO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1)N1CC[NH2+]CC1 ZINC000440342632 530686970 /nfs/dbraw/zinc/68/69/70/530686970.db2.gz RXQBCQRBXJCLJK-LLVKDONJSA-N 1 0 388.471 0.489 20 5 GCBDRO CS(=O)(=O)NC1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000591766190 530730046 /nfs/dbraw/zinc/73/00/46/530730046.db2.gz NJGJIFCULWUGDC-UHFFFAOYSA-N 1 0 377.444 0.038 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000418029850 530853041 /nfs/dbraw/zinc/85/30/41/530853041.db2.gz ZYBIGLXQMWDVRC-LLVKDONJSA-N 1 0 380.373 0.650 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000594451310 530864373 /nfs/dbraw/zinc/86/43/73/530864373.db2.gz KFGKFLVSPAHKMZ-SNVBAGLBSA-N 1 0 384.336 0.269 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000420482817 530870343 /nfs/dbraw/zinc/87/03/43/530870343.db2.gz VFLLDYNTGTZYIN-SECBINFHSA-N 1 0 380.220 0.624 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC(F)(F)CO)c([N+](=O)[O-])c1 ZINC000274283547 530905020 /nfs/dbraw/zinc/90/50/20/530905020.db2.gz WPXNSFZGKZOJEK-UHFFFAOYSA-N 1 0 382.389 0.474 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCO1 ZINC000274726542 530905363 /nfs/dbraw/zinc/90/53/63/530905363.db2.gz CCRIGIQKIYLNSL-VIFPVBQESA-N 1 0 391.165 0.999 20 5 GCBDRO COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000368639827 530881583 /nfs/dbraw/zinc/88/15/83/530881583.db2.gz YDUIRDLMDJJYPD-IUCAKERBSA-N 1 0 376.366 0.751 20 5 GCBDRO CCn1cc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000594802945 530883339 /nfs/dbraw/zinc/88/33/39/530883339.db2.gz FJIZWTPUMMZPMG-LBPRGKRZSA-N 1 0 376.483 0.362 20 5 GCBDRO Cc1cc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000443280043 530895325 /nfs/dbraw/zinc/89/53/25/530895325.db2.gz AISYULIFNRQPPQ-UHFFFAOYSA-N 1 0 375.447 0.464 20 5 GCBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443305419 530896579 /nfs/dbraw/zinc/89/65/79/530896579.db2.gz GHFOARWSWBJWQB-UHFFFAOYSA-N 1 0 379.410 0.295 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000271762494 530929821 /nfs/dbraw/zinc/92/98/21/530929821.db2.gz ZYDVUOZTLQSGPS-NSHDSACASA-N 1 0 377.444 0.040 20 5 GCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCC[NH+](C)C ZINC000471641642 530922863 /nfs/dbraw/zinc/92/28/63/530922863.db2.gz GAFFCCVPFMOFOV-UHFFFAOYSA-N 1 0 375.403 0.238 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]([NH3+])CC(F)F)c([N+](=O)[O-])c1 ZINC000498194124 530940944 /nfs/dbraw/zinc/94/09/44/530940944.db2.gz DTEMXXSQDYCRLT-SECBINFHSA-N 1 0 380.373 0.509 20 5 GCBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262823113 531072301 /nfs/dbraw/zinc/07/23/01/531072301.db2.gz SWOKMOWVYHRIPM-LLVKDONJSA-N 1 0 388.471 0.084 20 5 GCBDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262835555 531072582 /nfs/dbraw/zinc/07/25/82/531072582.db2.gz WFMAHEPATCBKBF-LLVKDONJSA-N 1 0 388.471 0.084 20 5 GCBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000737594081 599267102 /nfs/dbraw/zinc/26/71/02/599267102.db2.gz VZOSYBPULFBWBK-QMMMGPOBSA-N 1 0 388.417 0.917 20 5 GCBDRO C[NH+]1CCN(C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736863530 598337317 /nfs/dbraw/zinc/33/73/17/598337317.db2.gz LKYDAIHFUAHPRK-CQSZACIVSA-N 1 0 388.432 0.228 20 5 GCBDRO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736570017 598498602 /nfs/dbraw/zinc/49/86/02/598498602.db2.gz MUIHDEXZGCWRBF-GFCCVEGCSA-N 1 0 375.437 0.855 20 5 GCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736745755 598580254 /nfs/dbraw/zinc/58/02/54/598580254.db2.gz BRBPPHPSSLNKKX-UHFFFAOYSA-N 1 0 389.420 0.525 20 5 GCBDRO COc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1 ZINC000737158210 598797413 /nfs/dbraw/zinc/79/74/13/598797413.db2.gz AHOXZJRGAKZVRI-UHFFFAOYSA-N 1 0 383.372 0.900 20 5 GCBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821621875 607126302 /nfs/dbraw/zinc/12/63/02/607126302.db2.gz JRROAZVEMSBPRU-VIFPVBQESA-N 1 0 388.417 0.864 20 5 GCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825865364 608219108 /nfs/dbraw/zinc/21/91/08/608219108.db2.gz AKGVYOONRXXMDC-UHFFFAOYSA-N 1 0 399.415 0.712 20 5 GCBDRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161624 638679949 /nfs/dbraw/zinc/67/99/49/638679949.db2.gz NWNZNJJKUBDIBJ-UHFFFAOYSA-N 1 0 386.206 0.911 20 5 GCBDRO CN(C[C@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234401 638720218 /nfs/dbraw/zinc/72/02/18/638720218.db2.gz PESJGZXPMSTDCE-MRVPVSSYSA-N 1 0 394.169 0.983 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000735074479 640010565 /nfs/dbraw/zinc/01/05/65/640010565.db2.gz GKWQOHJLEKAVPC-XMMPIXPASA-N 1 0 392.503 0.615 20 5 GCBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751327014 640380713 /nfs/dbraw/zinc/38/07/13/640380713.db2.gz VPMOQYJQGSDRNK-UHFFFAOYSA-N 1 0 379.410 0.295 20 5 GCBDRO C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841228608 642291889 /nfs/dbraw/zinc/29/18/89/642291889.db2.gz FSYHKWLQHYNJDQ-LURJTMIESA-N 1 0 392.153 0.601 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)ccc1Br ZINC000842483170 642338020 /nfs/dbraw/zinc/33/80/20/642338020.db2.gz GCILKULJXSGVSD-QMMMGPOBSA-N 1 0 380.220 0.624 20 5 GCBDRO COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000850593423 642685026 /nfs/dbraw/zinc/68/50/26/642685026.db2.gz QEANLNKSRVJVNP-NXEZZACHSA-N 1 0 376.366 0.833 20 5 GCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000858633972 642964107 /nfs/dbraw/zinc/96/41/07/642964107.db2.gz JALODBFUCSPVGF-UHFFFAOYSA-N 1 0 382.236 0.953 20 5 GCBDRO C[N@H+]1C[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278848118 1192174918 /nfs/dbraw/zinc/17/49/18/1192174918.db2.gz XBNRCYVNSNAAQE-OKILXGFUSA-N 1 0 396.469 0.614 20 5 GCBDRO NC(=O)[C@H](NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000062245384 1192183276 /nfs/dbraw/zinc/18/32/76/1192183276.db2.gz JYBDJVZTMULMHY-OAHLLOKOSA-N 1 0 378.410 0.689 20 5 GCBDRO CN(CC(=O)N1CC[C@]2(CCC[NH2+]2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424032201 1192266139 /nfs/dbraw/zinc/26/61/39/1192266139.db2.gz VAGZLLCLWNFQOV-MRXNPFEDSA-N 1 0 382.442 0.570 20 5 GCBDRO COc1ccc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000106267390 1192363463 /nfs/dbraw/zinc/36/34/63/1192363463.db2.gz JGLAGDRWTLXELF-UHFFFAOYSA-N 1 0 386.474 0.909 20 5 GCBDRO Cc1c(CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000585690254 1192370967 /nfs/dbraw/zinc/37/09/67/1192370967.db2.gz NOCBTSHQICOCOS-INIZCTEOSA-N 1 0 392.456 0.992 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000570626868 1192411909 /nfs/dbraw/zinc/41/19/09/1192411909.db2.gz JKMBOPZAMAXCNV-CZUORRHYSA-N 1 0 377.401 0.752 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279062438 1192451703 /nfs/dbraw/zinc/45/17/03/1192451703.db2.gz ISBAUHTVDCJQJP-OAHLLOKOSA-N 1 0 386.474 0.642 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000571125527 1192480028 /nfs/dbraw/zinc/48/00/28/1192480028.db2.gz KGKYMHNNUCMFKA-GJZGRUSLSA-N 1 0 381.458 0.877 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000728908422 1192590844 /nfs/dbraw/zinc/59/08/44/1192590844.db2.gz GBXQNQJTCFJJRA-UHFFFAOYSA-N 1 0 377.445 0.945 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC=CCC1 ZINC000279834092 1192610646 /nfs/dbraw/zinc/61/06/46/1192610646.db2.gz HDNAXOQPVFGGQD-UHFFFAOYSA-N 1 0 397.457 0.434 20 5 GCBDRO COCC1(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]CC1 ZINC000418637064 1192624363 /nfs/dbraw/zinc/62/43/63/1192624363.db2.gz IXYNKELSGDSJOK-UHFFFAOYSA-N 1 0 392.460 0.838 20 5 GCBDRO C[NH+](C)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000067044946 1192633417 /nfs/dbraw/zinc/63/34/17/1192633417.db2.gz ILDPDAJVELHDKD-AWEZNQCLSA-N 1 0 384.458 0.816 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418761263 1192641516 /nfs/dbraw/zinc/64/15/16/1192641516.db2.gz LEUJLRQSQWPXNX-GFCCVEGCSA-N 1 0 396.473 0.027 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418792594 1192645877 /nfs/dbraw/zinc/64/58/77/1192645877.db2.gz OTIWBLAFKSVCNC-AWEZNQCLSA-N 1 0 391.428 0.441 20 5 GCBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418824135 1192656450 /nfs/dbraw/zinc/65/64/50/1192656450.db2.gz ZITLMEHFGNMIDP-CHWSQXEVSA-N 1 0 380.832 0.975 20 5 GCBDRO CO[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000418820534 1192658334 /nfs/dbraw/zinc/65/83/34/1192658334.db2.gz WBIWHJNDBPOIAE-KBPBESRZSA-N 1 0 398.847 0.872 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000418957492 1192699715 /nfs/dbraw/zinc/69/97/15/1192699715.db2.gz ZVQNHYMFBBXYQE-IHRRRGAJSA-N 1 0 376.413 0.805 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000418954156 1192700425 /nfs/dbraw/zinc/70/04/25/1192700425.db2.gz XFEMYTLJJRVNQY-MFKMUULPSA-N 1 0 380.401 0.449 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000419017762 1192723974 /nfs/dbraw/zinc/72/39/74/1192723974.db2.gz HDWJJCOZGAKSEI-UHFFFAOYSA-N 1 0 396.444 0.714 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000419030838 1192732746 /nfs/dbraw/zinc/73/27/46/1192732746.db2.gz UGCNOHLKAFTTOE-WCQYABFASA-N 1 0 394.428 0.466 20 5 GCBDRO CC[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000557534393 1184077873 /nfs/dbraw/zinc/07/78/73/1184077873.db2.gz AKOOECICBRVZKA-CYBMUJFWSA-N 1 0 384.458 0.816 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)C1 ZINC000153844100 1184084547 /nfs/dbraw/zinc/08/45/47/1184084547.db2.gz GIMMESIDIXMRNL-CQSZACIVSA-N 1 0 386.412 0.945 20 5 GCBDRO CN(CC[N@H+](C)C1CC1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274543375 1184092692 /nfs/dbraw/zinc/09/26/92/1184092692.db2.gz FTMSPSXLBJFCIX-UHFFFAOYSA-N 1 0 384.458 0.768 20 5 GCBDRO CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]1 ZINC000274655981 1184153645 /nfs/dbraw/zinc/15/36/45/1184153645.db2.gz VUIOMATUOOKOGD-QGZVFWFLSA-N 1 0 396.469 0.960 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000610184576 1184192980 /nfs/dbraw/zinc/19/29/80/1184192980.db2.gz YMOJGJPBGLQLMH-UHFFFAOYSA-N 1 0 378.364 0.861 20 5 GCBDRO COc1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000610184516 1184195660 /nfs/dbraw/zinc/19/56/60/1184195660.db2.gz NKUVANBUWSQRBU-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO C[NH+]1CCN(CCCNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000609761553 1184490460 /nfs/dbraw/zinc/49/04/60/1184490460.db2.gz PSCFVSKUGXGHLC-UHFFFAOYSA-N 1 0 397.863 0.732 20 5 GCBDRO C[NH+](C)CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000275167838 1184538506 /nfs/dbraw/zinc/53/85/06/1184538506.db2.gz VVGMTUCWEPTCSK-LBPRGKRZSA-N 1 0 386.430 0.276 20 5 GCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275231647 1184560781 /nfs/dbraw/zinc/56/07/81/1184560781.db2.gz JKFAIYSRYMCUDX-ZDUSSCGKSA-N 1 0 384.458 0.962 20 5 GCBDRO CC(=O)NC1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000275275751 1184577242 /nfs/dbraw/zinc/57/72/42/1184577242.db2.gz CRKDGRNIZZGDPS-UHFFFAOYSA-N 1 0 384.458 0.910 20 5 GCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275290246 1184587897 /nfs/dbraw/zinc/58/78/97/1184587897.db2.gz PFQUJWLCVIPNFQ-ZDUSSCGKSA-N 1 0 399.473 0.466 20 5 GCBDRO COC(=O)c1cnc(N2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC001167230010 1184649636 /nfs/dbraw/zinc/64/96/36/1184649636.db2.gz CFWYYIVNLQJXGO-WLHTULFXSA-N 1 0 390.396 0.611 20 5 GCBDRO C[NH+](C)C1(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000275423941 1184663198 /nfs/dbraw/zinc/66/31/98/1184663198.db2.gz HZBDYPAGWCDNKK-UHFFFAOYSA-N 1 0 399.473 0.657 20 5 GCBDRO COCCC[N@H+](CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000275533308 1184700554 /nfs/dbraw/zinc/70/05/54/1184700554.db2.gz XLGABBTXWCQVFU-UHFFFAOYSA-N 1 0 380.445 0.574 20 5 GCBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247244190 1184845301 /nfs/dbraw/zinc/84/53/01/1184845301.db2.gz DQHUTMKKTQUOCE-JFIYKMOQSA-N 1 0 380.493 0.643 20 5 GCBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)CN1CCOCC1 ZINC000275653368 1184866381 /nfs/dbraw/zinc/86/63/81/1184866381.db2.gz UKHGCOWEBYGIIG-AWEZNQCLSA-N 1 0 384.408 0.687 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261607705 1185214691 /nfs/dbraw/zinc/21/46/91/1185214691.db2.gz AGSPCQQJMXEVCD-GHMZBOCLSA-N 1 0 385.446 0.240 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000261675216 1185228720 /nfs/dbraw/zinc/22/87/20/1185228720.db2.gz GXJKXJVYFXGHKF-ZDUSSCGKSA-N 1 0 382.465 0.960 20 5 GCBDRO [NH3+][C@H](C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000261698913 1185235419 /nfs/dbraw/zinc/23/54/19/1185235419.db2.gz HZCSVDPPJSQENM-INIZCTEOSA-N 1 0 376.413 0.633 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000261796692 1185259864 /nfs/dbraw/zinc/25/98/64/1185259864.db2.gz GTEHOUXMDZWOQO-OAHLLOKOSA-N 1 0 385.446 0.242 20 5 GCBDRO CN(C)C(=O)CN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000580543698 1185268139 /nfs/dbraw/zinc/26/81/39/1185268139.db2.gz OMRFNMPMIVKEMR-HNNXBMFYSA-N 1 0 380.445 0.477 20 5 GCBDRO C[C@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261862138 1185278668 /nfs/dbraw/zinc/27/86/68/1185278668.db2.gz RLTKCRUSBNODKG-NWDGAFQWSA-N 1 0 399.473 0.630 20 5 GCBDRO [NH3+][C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000261889731 1185281505 /nfs/dbraw/zinc/28/15/05/1185281505.db2.gz BWGWDEPWHOJABE-CZUORRHYSA-N 1 0 396.469 0.849 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261894491 1185281742 /nfs/dbraw/zinc/28/17/42/1185281742.db2.gz QYIPHYQFONEGGC-LSDHHAIUSA-N 1 0 392.460 0.597 20 5 GCBDRO C[NH2+]CCC1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000580775223 1185354925 /nfs/dbraw/zinc/35/49/25/1185354925.db2.gz RGOPNJYIABWLSC-UHFFFAOYSA-N 1 0 384.458 0.721 20 5 GCBDRO Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001707886304 1185403026 /nfs/dbraw/zinc/40/30/26/1185403026.db2.gz PIGXEAQIDDVPHR-KRWDZBQOSA-N 1 0 390.448 0.599 20 5 GCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581122356 1185505635 /nfs/dbraw/zinc/50/56/35/1185505635.db2.gz CSPAWPMARMYYOG-ZDUSSCGKSA-N 1 0 378.433 0.128 20 5 GCBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581122355 1185505841 /nfs/dbraw/zinc/50/58/41/1185505841.db2.gz CSPAWPMARMYYOG-CYBMUJFWSA-N 1 0 378.433 0.128 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430601964 1185681102 /nfs/dbraw/zinc/68/11/02/1185681102.db2.gz FPILNLRFTVECSK-ZDUSSCGKSA-N 1 0 393.444 0.719 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430601963 1185681290 /nfs/dbraw/zinc/68/12/90/1185681290.db2.gz FPILNLRFTVECSK-CYBMUJFWSA-N 1 0 393.444 0.719 20 5 GCBDRO C[C@@H](C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C1C[NH2+]C1 ZINC000262262428 1185724477 /nfs/dbraw/zinc/72/44/77/1185724477.db2.gz UOIUFWSSDRLPGP-GFCCVEGCSA-N 1 0 396.469 0.502 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262322027 1185745073 /nfs/dbraw/zinc/74/50/73/1185745073.db2.gz QLJNJGXEADVSQP-ZIAGYGMSSA-N 1 0 379.465 0.333 20 5 GCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CC[C@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000262336597 1185774832 /nfs/dbraw/zinc/77/48/32/1185774832.db2.gz SGHBZMXRDHWKAM-LBPRGKRZSA-N 1 0 398.441 0.034 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000477115700 1185792737 /nfs/dbraw/zinc/79/27/37/1185792737.db2.gz FTWJVKFABQOFOM-CQSZACIVSA-N 1 0 399.473 0.597 20 5 GCBDRO O=C(CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000430624245 1185809001 /nfs/dbraw/zinc/80/90/01/1185809001.db2.gz OJGYNUAXWSMSFV-CQSZACIVSA-N 1 0 375.429 0.677 20 5 GCBDRO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000477340488 1185840569 /nfs/dbraw/zinc/84/05/69/1185840569.db2.gz UFMSYHFGUVYUOD-QWHCGFSZSA-N 1 0 384.458 0.849 20 5 GCBDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000276902490 1186142159 /nfs/dbraw/zinc/14/21/59/1186142159.db2.gz HXVMVNMOLSYLOU-ISTRZQFTSA-N 1 0 395.366 0.992 20 5 GCBDRO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535710624 1186203658 /nfs/dbraw/zinc/20/36/58/1186203658.db2.gz UXAFSQSLPAMJCO-KBPBESRZSA-N 1 0 383.474 0.636 20 5 GCBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000262494103 1186302022 /nfs/dbraw/zinc/30/20/22/1186302022.db2.gz YSOCARBPCITBNS-RYUDHWBXSA-N 1 0 384.458 0.630 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262562199 1186306632 /nfs/dbraw/zinc/30/66/32/1186306632.db2.gz QWMUBPOAVGGPIZ-SUMWQHHRSA-N 1 0 396.469 0.769 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262602729 1186312245 /nfs/dbraw/zinc/31/22/45/1186312245.db2.gz XVRKODBYASXPNR-SUMWQHHRSA-N 1 0 396.469 0.769 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000277385327 1186357922 /nfs/dbraw/zinc/35/79/22/1186357922.db2.gz FNJJSDQPUYTVDR-OAHLLOKOSA-N 1 0 376.413 0.982 20 5 GCBDRO C[C@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000511051969 1186363643 /nfs/dbraw/zinc/36/36/43/1186363643.db2.gz ZCLUBWNVSBGMDE-CQSZACIVSA-N 1 0 392.460 0.146 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNc2cc[nH+]cc2C(N)=O)c([N+](=O)[O-])c1 ZINC000548687521 1186427076 /nfs/dbraw/zinc/42/70/76/1186427076.db2.gz LQJBRZTYMBGBIV-UHFFFAOYSA-N 1 0 379.398 0.438 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000582138115 1186435877 /nfs/dbraw/zinc/43/58/77/1186435877.db2.gz ZGKHOBXJAYEORW-GUYCJALGSA-N 1 0 380.449 0.400 20 5 GCBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000263693485 1186463671 /nfs/dbraw/zinc/46/36/71/1186463671.db2.gz KENVBVXGKMHCQD-CQSZACIVSA-N 1 0 396.469 0.770 20 5 GCBDRO Cc1nn(CCC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)c1[N+](=O)[O-] ZINC000263714599 1186465063 /nfs/dbraw/zinc/46/50/63/1186465063.db2.gz APQTUILSRVFHAY-OAHLLOKOSA-N 1 0 394.476 0.857 20 5 GCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000431376956 1186477571 /nfs/dbraw/zinc/47/75/71/1186477571.db2.gz GXSWODIZMCAWRN-MRXNPFEDSA-N 1 0 386.836 0.797 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000478711914 1186529597 /nfs/dbraw/zinc/52/95/97/1186529597.db2.gz GUOKUAZBSOJUAB-HNNXBMFYSA-N 1 0 391.428 0.063 20 5 GCBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000277642849 1186550712 /nfs/dbraw/zinc/55/07/12/1186550712.db2.gz CXVTXYBYYCSJJO-UHFFFAOYSA-N 1 0 387.396 0.917 20 5 GCBDRO C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582725421 1186627221 /nfs/dbraw/zinc/62/72/21/1186627221.db2.gz UZQGYBSKFRDHDE-SWLSCSKDSA-N 1 0 384.458 0.992 20 5 GCBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000277861178 1186653429 /nfs/dbraw/zinc/65/34/29/1186653429.db2.gz UGFYOUIBFYLEBO-ZDUSSCGKSA-N 1 0 393.404 0.327 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCc2cccnn2)c([N+](=O)[O-])c1 ZINC000277967875 1186727127 /nfs/dbraw/zinc/72/71/27/1186727127.db2.gz LHJIXJYPJKUCJC-UHFFFAOYSA-N 1 0 380.430 0.837 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582963498 1186738174 /nfs/dbraw/zinc/73/81/74/1186738174.db2.gz SYRARIAXZNHZBM-STQMWFEESA-N 1 0 382.442 0.331 20 5 GCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000583145575 1186781047 /nfs/dbraw/zinc/78/10/47/1186781047.db2.gz MOEVVQRFQZCINB-KGLIPLIRSA-N 1 0 391.428 0.299 20 5 GCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000583145577 1186781283 /nfs/dbraw/zinc/78/12/83/1186781283.db2.gz MOEVVQRFQZCINB-ZIAGYGMSSA-N 1 0 391.428 0.299 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583452040 1186856666 /nfs/dbraw/zinc/85/66/66/1186856666.db2.gz QPKBMLKZMPXUMI-DRZSPHRISA-N 1 0 377.401 0.174 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000278292526 1186876378 /nfs/dbraw/zinc/87/63/78/1186876378.db2.gz QEXQOBLTXOMJNO-LBPRGKRZSA-N 1 0 382.392 0.959 20 5 GCBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388883 1186925503 /nfs/dbraw/zinc/92/55/03/1186925503.db2.gz VBIFQMCUSOAQNO-UWWQBHOKSA-N 1 0 384.429 0.680 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000584064580 1186992756 /nfs/dbraw/zinc/99/27/56/1186992756.db2.gz HQKJIUDSUUWNBW-GVXVVHGQSA-N 1 0 377.401 0.174 20 5 GCBDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000102326554 1187096455 /nfs/dbraw/zinc/09/64/55/1187096455.db2.gz ZKDDVXZCSRYPIU-UHFFFAOYSA-N 1 0 387.444 0.990 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431589046 1187131087 /nfs/dbraw/zinc/13/10/87/1187131087.db2.gz IZCQPRIFMUCCAF-UHFFFAOYSA-N 1 0 384.458 0.865 20 5 GCBDRO CCN1C(=O)[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000364825882 1187465847 /nfs/dbraw/zinc/46/58/47/1187465847.db2.gz DDWXYBMBLPCEIB-ZFWWWQNUSA-N 1 0 378.385 0.303 20 5 GCBDRO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000411249516 1187471977 /nfs/dbraw/zinc/47/19/77/1187471977.db2.gz ZCYJDXNFZZHQNA-ZDUSSCGKSA-N 1 0 391.428 0.545 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236625931 1187502746 /nfs/dbraw/zinc/50/27/46/1187502746.db2.gz IOZPZGLPJBFEKK-HNNXBMFYSA-N 1 0 375.429 0.730 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236625830 1187502852 /nfs/dbraw/zinc/50/28/52/1187502852.db2.gz RHRSMVVZNRCMNO-HNNXBMFYSA-N 1 0 375.429 0.730 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2[N+](=O)[O-])CC1 ZINC000236625714 1187502865 /nfs/dbraw/zinc/50/28/65/1187502865.db2.gz RHRSMVVZNRCMNO-OAHLLOKOSA-N 1 0 375.429 0.730 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000236625888 1187502870 /nfs/dbraw/zinc/50/28/70/1187502870.db2.gz KGZIQSFEPZJROE-HNNXBMFYSA-N 1 0 389.456 0.993 20 5 GCBDRO COC(=O)[C@@H]1CN(C)CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000411761619 1187511791 /nfs/dbraw/zinc/51/17/91/1187511791.db2.gz SCEYNWOKDSYEFH-CYBMUJFWSA-N 1 0 392.412 0.713 20 5 GCBDRO CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000579935684 1187650690 /nfs/dbraw/zinc/65/06/90/1187650690.db2.gz PHWHYXJKSUCXGK-UHFFFAOYSA-N 1 0 399.473 0.610 20 5 GCBDRO CCc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)ncn1 ZINC000580185664 1187675591 /nfs/dbraw/zinc/67/55/91/1187675591.db2.gz QXCHSKAHZJEOBZ-GOEBONIOSA-N 1 0 375.433 0.763 20 5 GCBDRO [NH3+][C@H]1C[C@@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O ZINC000580658578 1187695160 /nfs/dbraw/zinc/69/51/60/1187695160.db2.gz HVEDVTDBVPPMQO-CABCVRRESA-N 1 0 375.429 0.175 20 5 GCBDRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580595808 1187696032 /nfs/dbraw/zinc/69/60/32/1187696032.db2.gz YBBNHYLHEINDPZ-UHFFFAOYSA-N 1 0 393.444 0.206 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000580947669 1187703301 /nfs/dbraw/zinc/70/33/01/1187703301.db2.gz XRMDXRCHTJFRIV-PBHICJAKSA-N 1 0 376.413 0.980 20 5 GCBDRO CC(C)OC(=O)C[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1[N+](=O)[O-] ZINC000581618845 1187716625 /nfs/dbraw/zinc/71/66/25/1187716625.db2.gz QVXVXITWTHFRBY-ZDUSSCGKSA-N 1 0 390.400 0.958 20 5 GCBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000581676986 1187718567 /nfs/dbraw/zinc/71/85/67/1187718567.db2.gz NBERSTPAVVBFPS-ZDUSSCGKSA-N 1 0 384.458 0.933 20 5 GCBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582357127 1187734923 /nfs/dbraw/zinc/73/49/23/1187734923.db2.gz HVDGETBDHYLBQU-IUODEOHRSA-N 1 0 384.458 0.897 20 5 GCBDRO C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000582415336 1187737545 /nfs/dbraw/zinc/73/75/45/1187737545.db2.gz OZVGZISOODCNEN-IBGZPJMESA-N 1 0 388.472 0.689 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000582604145 1187757904 /nfs/dbraw/zinc/75/79/04/1187757904.db2.gz OOXCNJJPCKOWOM-ZDUSSCGKSA-N 1 0 385.442 0.994 20 5 GCBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376444389 1187843534 /nfs/dbraw/zinc/84/35/34/1187843534.db2.gz YGCIIGUWLSSTID-WCQYABFASA-N 1 0 382.442 0.941 20 5 GCBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376450012 1187846847 /nfs/dbraw/zinc/84/68/47/1187846847.db2.gz RCIIAUDFQVXPOM-WCQYABFASA-N 1 0 382.442 0.941 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472599306 1187858350 /nfs/dbraw/zinc/85/83/50/1187858350.db2.gz NJICQTKKAIQCST-ZDUSSCGKSA-N 1 0 381.364 0.128 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[C@H]1[NH3+] ZINC000415439946 1188081042 /nfs/dbraw/zinc/08/10/42/1188081042.db2.gz DTUOXMSUSLXIMB-WDEREUQCSA-N 1 0 378.385 0.890 20 5 GCBDRO NC(=O)C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377609337 1188087284 /nfs/dbraw/zinc/08/72/84/1188087284.db2.gz YPFVPNWVKSVKIS-CQSZACIVSA-N 1 0 375.429 0.441 20 5 GCBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000415580865 1188112317 /nfs/dbraw/zinc/11/23/17/1188112317.db2.gz MKOKRKRDRFRVII-UHFFFAOYSA-N 1 0 397.457 0.663 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415701667 1188143959 /nfs/dbraw/zinc/14/39/59/1188143959.db2.gz BRYIQGJLRDCZOF-CQSZACIVSA-N 1 0 375.429 0.656 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000415706617 1188145354 /nfs/dbraw/zinc/14/53/54/1188145354.db2.gz LJLWNMYPSGPSEB-QGZVFWFLSA-N 1 0 380.401 0.817 20 5 GCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415732316 1188153718 /nfs/dbraw/zinc/15/37/18/1188153718.db2.gz YEBRFZIILMEETR-GFCCVEGCSA-N 1 0 381.820 0.693 20 5 GCBDRO C[C@@]1(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000377905081 1189368348 /nfs/dbraw/zinc/36/83/48/1189368348.db2.gz JBKOSKFNEWZMNG-KDOFPFPSSA-N 1 0 392.412 0.645 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415866192 1189391659 /nfs/dbraw/zinc/39/16/59/1189391659.db2.gz BNQPUFWRWRGCFN-AAEUAGOBSA-N 1 0 390.396 0.696 20 5 GCBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000378318488 1189473402 /nfs/dbraw/zinc/47/34/02/1189473402.db2.gz VOLNHRKJBVGSJF-UHFFFAOYSA-N 1 0 393.492 0.991 20 5 GCBDRO C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000412389242 1189564528 /nfs/dbraw/zinc/56/45/28/1189564528.db2.gz VTTNKUVTASEAML-WFASDCNBSA-N 1 0 384.458 0.814 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000312349098 1189592845 /nfs/dbraw/zinc/59/28/45/1189592845.db2.gz ATTYMSYUPNYSCO-ZWKOTPCHSA-N 1 0 375.429 0.643 20 5 GCBDRO COc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417199785 1189630960 /nfs/dbraw/zinc/63/09/60/1189630960.db2.gz YXHQGNBINULFPY-CYBMUJFWSA-N 1 0 379.417 0.600 20 5 GCBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417275576 1189637908 /nfs/dbraw/zinc/63/79/08/1189637908.db2.gz CWOPXWSHVRQGIS-BXUZGUMPSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000417277135 1189637970 /nfs/dbraw/zinc/63/79/70/1189637970.db2.gz FSAMCFKCSLBLFL-CHWSQXEVSA-N 1 0 399.473 0.560 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417277751 1189638190 /nfs/dbraw/zinc/63/81/90/1189638190.db2.gz GKNYBZFDAQUUDZ-GXTWGEPZSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266120 1189638496 /nfs/dbraw/zinc/63/84/96/1189638496.db2.gz BVPCTRZMZRIPGM-OLZOCXBDSA-N 1 0 399.473 0.642 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417285771 1189639852 /nfs/dbraw/zinc/63/98/52/1189639852.db2.gz UWNWSISMCVBVSN-RYUDHWBXSA-N 1 0 385.446 0.442 20 5 GCBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417285722 1189640304 /nfs/dbraw/zinc/64/03/04/1189640304.db2.gz URJASPWTBAIIRR-ZDUSSCGKSA-N 1 0 399.473 0.705 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000417279264 1189640685 /nfs/dbraw/zinc/64/06/85/1189640685.db2.gz IKPVYBLCKAGZLR-FZMZJTMJSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000417288186 1189640977 /nfs/dbraw/zinc/64/09/77/1189640977.db2.gz XXWBOOOYMUXIEW-NEPJUHHUSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000417301193 1189641567 /nfs/dbraw/zinc/64/15/67/1189641567.db2.gz ADPKMFZTSXJGST-BXUZGUMPSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417322301 1189647037 /nfs/dbraw/zinc/64/70/37/1189647037.db2.gz MQAZFHXRKIOTMF-GFCCVEGCSA-N 1 0 387.462 0.690 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417324201 1189647567 /nfs/dbraw/zinc/64/75/67/1189647567.db2.gz PXWGGPHDNOSSSJ-DOMZBBRYSA-N 1 0 397.457 0.267 20 5 GCBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417347187 1189649282 /nfs/dbraw/zinc/64/92/82/1189649282.db2.gz WUEPPODXFHSPDK-CYBMUJFWSA-N 1 0 399.473 0.514 20 5 GCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000417335280 1189649519 /nfs/dbraw/zinc/64/95/19/1189649519.db2.gz GBDZTESUEBDSSZ-CHWSQXEVSA-N 1 0 399.473 0.560 20 5 GCBDRO COCC[N@H+](C)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482625 1189669558 /nfs/dbraw/zinc/66/95/58/1189669558.db2.gz VQHAPFLHBMIIHJ-RHSMWYFYSA-N 1 0 380.401 0.301 20 5 GCBDRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000584834273 1189685692 /nfs/dbraw/zinc/68/56/92/1189685692.db2.gz HHYBBMKSCZUULY-GOEBONIOSA-N 1 0 389.412 0.853 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000566493808 1189694243 /nfs/dbraw/zinc/69/42/43/1189694243.db2.gz ICDCLOVLDRRFHL-WCQYABFASA-N 1 0 377.401 0.176 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000417675073 1189695196 /nfs/dbraw/zinc/69/51/96/1189695196.db2.gz BJSKEHQMLFXCKO-CYBMUJFWSA-N 1 0 399.473 0.562 20 5 GCBDRO CCCN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000417676513 1189695440 /nfs/dbraw/zinc/69/54/40/1189695440.db2.gz FLMTUCMRTRPSNI-ZDUSSCGKSA-N 1 0 399.473 0.657 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417685556 1189695936 /nfs/dbraw/zinc/69/59/36/1189695936.db2.gz YNFBIIQHBHQBKA-CHWSQXEVSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417678980 1189696048 /nfs/dbraw/zinc/69/60/48/1189696048.db2.gz KQFXGRKDIHAILI-OLZOCXBDSA-N 1 0 397.457 0.124 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417678249 1189696281 /nfs/dbraw/zinc/69/62/81/1189696281.db2.gz JGTSLNPMFDVEFL-CHWSQXEVSA-N 1 0 397.457 0.124 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417690933 1189696962 /nfs/dbraw/zinc/69/69/62/1189696962.db2.gz JDNWSNGCJFVJJE-CHWSQXEVSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417680479 1189697613 /nfs/dbraw/zinc/69/76/13/1189697613.db2.gz NPPNMVHGPDAWLB-VXGBXAGGSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000417700795 1189697877 /nfs/dbraw/zinc/69/78/77/1189697877.db2.gz MMGLCTRVWGZXGP-VXGBXAGGSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000417707630 1189698625 /nfs/dbraw/zinc/69/86/25/1189698625.db2.gz XVBGSUFHSOYXGR-GFCCVEGCSA-N 1 0 385.446 0.172 20 5 GCBDRO C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000452577008 1189703286 /nfs/dbraw/zinc/70/32/86/1189703286.db2.gz HMQHFSNMKNSCEQ-NSHDSACASA-N 1 0 382.442 0.799 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418019743 1189711963 /nfs/dbraw/zinc/71/19/63/1189711963.db2.gz LOTNUGICDSZIHH-OLZOCXBDSA-N 1 0 382.442 0.904 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418015036 1189712522 /nfs/dbraw/zinc/71/25/22/1189712522.db2.gz DAUOBKISLLWNMS-OLZOCXBDSA-N 1 0 382.442 0.619 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418362261 1189769060 /nfs/dbraw/zinc/76/90/60/1189769060.db2.gz AYRSMZDMFXXZJD-CYBMUJFWSA-N 1 0 399.473 0.466 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947007 1189774585 /nfs/dbraw/zinc/77/45/85/1189774585.db2.gz HUKNNKCOFNLQPD-HUUCEWRRSA-N 1 0 391.472 0.855 20 5 GCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000557140751 1189783186 /nfs/dbraw/zinc/78/31/86/1189783186.db2.gz SUQYVGMPUZZBNU-HNNXBMFYSA-N 1 0 375.429 0.948 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418515983 1189812076 /nfs/dbraw/zinc/81/20/76/1189812076.db2.gz REYXGDCGHHDCCK-GFCCVEGCSA-N 1 0 385.446 0.266 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418519245 1189813801 /nfs/dbraw/zinc/81/38/01/1189813801.db2.gz GFHCVMLDWJNCDG-ZDUSSCGKSA-N 1 0 399.473 0.656 20 5 GCBDRO O=C1CN([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906920 1189820843 /nfs/dbraw/zinc/82/08/43/1189820843.db2.gz RMZGLNQQLDMKGD-ZFWWWQNUSA-N 1 0 386.412 0.685 20 5 GCBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)C[C@H]2C1 ZINC000278838236 1189879868 /nfs/dbraw/zinc/87/98/68/1189879868.db2.gz VTKNSRAZTYXMQG-OKILXGFUSA-N 1 0 396.469 0.614 20 5 GCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC001648928203 1189917413 /nfs/dbraw/zinc/91/74/13/1189917413.db2.gz JLGYTURUWZWYGD-BBRMVZONSA-N 1 0 396.469 0.816 20 5 GCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000106921066 1189945213 /nfs/dbraw/zinc/94/52/13/1189945213.db2.gz SHKUBHKJIVSCJL-QGZVFWFLSA-N 1 0 389.456 0.563 20 5 GCBDRO Cc1nn(C)c(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000512705170 1193738932 /nfs/dbraw/zinc/73/89/32/1193738932.db2.gz DZKAIKGTXVIYDI-UHFFFAOYSA-N 1 0 385.388 0.276 20 5 GCBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000433141369 1193764087 /nfs/dbraw/zinc/76/40/87/1193764087.db2.gz OMKSJRIXEHPCLM-AWEZNQCLSA-N 1 0 398.485 0.878 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000419357000 1193859623 /nfs/dbraw/zinc/85/96/23/1193859623.db2.gz UBUFHBBHQLKZSM-MRXNPFEDSA-N 1 0 378.429 0.610 20 5 GCBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419359763 1193861196 /nfs/dbraw/zinc/86/11/96/1193861196.db2.gz WEDMHCZTAJOCHS-AWEZNQCLSA-N 1 0 388.428 0.982 20 5 GCBDRO CC[N@H+](CCO)CCNC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274695313 1193900813 /nfs/dbraw/zinc/90/08/13/1193900813.db2.gz WGWVGVZVKVDSLB-UHFFFAOYSA-N 1 0 384.433 0.768 20 5 GCBDRO O=C(CN1CC[C@H](C[NH+]2CCOCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265992696 1193917345 /nfs/dbraw/zinc/91/73/45/1193917345.db2.gz GPRZGHHIBXJBLP-CYBMUJFWSA-N 1 0 392.412 0.916 20 5 GCBDRO COc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543002414 1193918303 /nfs/dbraw/zinc/91/83/03/1193918303.db2.gz BCEPWSOJMKXOTB-UHFFFAOYSA-N 1 0 393.444 0.686 20 5 GCBDRO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000262010165 1193935570 /nfs/dbraw/zinc/93/55/70/1193935570.db2.gz JLGIXMOXVWIVJF-KGLIPLIRSA-N 1 0 396.469 0.864 20 5 GCBDRO Nc1c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(F)cc1[N+](=O)[O-] ZINC000262187459 1193941372 /nfs/dbraw/zinc/94/13/72/1193941372.db2.gz ZMDWLVCZOIVBEW-LLVKDONJSA-N 1 0 379.314 0.882 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280703149 1194014759 /nfs/dbraw/zinc/01/47/59/1194014759.db2.gz CPEVPHOUYCTANV-MLGOLLRUSA-N 1 0 382.442 0.379 20 5 GCBDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000366394539 1194038024 /nfs/dbraw/zinc/03/80/24/1194038024.db2.gz FDEWXRHUBXTOPI-XHSDSOJGSA-N 1 0 382.417 0.442 20 5 GCBDRO [NH3+]CCN(CCO)C(=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000419765000 1194101605 /nfs/dbraw/zinc/10/16/05/1194101605.db2.gz BOQSSDPULQTYFC-UHFFFAOYSA-N 1 0 378.307 0.009 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000419873427 1194128964 /nfs/dbraw/zinc/12/89/64/1194128964.db2.gz MPMOMCWGQGURTJ-QWHCGFSZSA-N 1 0 376.417 0.025 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[NH2+]C1 ZINC000419902015 1194137247 /nfs/dbraw/zinc/13/72/47/1194137247.db2.gz UDJMYMZDEJCSEP-HUUCEWRRSA-N 1 0 389.456 0.748 20 5 GCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419949783 1194143213 /nfs/dbraw/zinc/14/32/13/1194143213.db2.gz HORLYAXJHLDVMB-AWEZNQCLSA-N 1 0 377.445 0.733 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000419940301 1194145707 /nfs/dbraw/zinc/14/57/07/1194145707.db2.gz KFCUHFGPJTYIIN-ZDUSSCGKSA-N 1 0 393.444 0.353 20 5 GCBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419986164 1194152823 /nfs/dbraw/zinc/15/28/23/1194152823.db2.gz XHDVAOWTKWHXKY-ZDUSSCGKSA-N 1 0 376.413 0.690 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420015939 1194162714 /nfs/dbraw/zinc/16/27/14/1194162714.db2.gz MADKVXQAUJQHAW-BLLLJJGKSA-N 1 0 376.413 0.818 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044148 1194167397 /nfs/dbraw/zinc/16/73/97/1194167397.db2.gz SOSGSZQKJDTMPB-NHYWBVRUSA-N 1 0 392.412 0.414 20 5 GCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000420076743 1194173757 /nfs/dbraw/zinc/17/37/57/1194173757.db2.gz XBZDKZTZQNGBRQ-AWEZNQCLSA-N 1 0 378.433 0.589 20 5 GCBDRO C[C@]1(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]C1 ZINC000420090793 1194182408 /nfs/dbraw/zinc/18/24/08/1194182408.db2.gz FGQZCTCYRILTLK-IBGZPJMESA-N 1 0 389.456 0.749 20 5 GCBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420131900 1194190116 /nfs/dbraw/zinc/19/01/16/1194190116.db2.gz XUJBRJDYOZDOPV-AWEZNQCLSA-N 1 0 377.445 0.877 20 5 GCBDRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420159527 1194190995 /nfs/dbraw/zinc/19/09/95/1194190995.db2.gz CZIOCZBUJVQSIK-UHFFFAOYSA-N 1 0 388.428 0.064 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420184751 1194198434 /nfs/dbraw/zinc/19/84/34/1194198434.db2.gz IUYHMDRRNAXHTO-HNNXBMFYSA-N 1 0 376.413 0.581 20 5 GCBDRO COCC[NH2+]CCNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420190443 1194207144 /nfs/dbraw/zinc/20/71/44/1194207144.db2.gz VPDDDCXWSAIZRG-UHFFFAOYSA-N 1 0 394.428 0.317 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000420265748 1194218572 /nfs/dbraw/zinc/21/85/72/1194218572.db2.gz FHGQNMHOCVXMKE-CQSZACIVSA-N 1 0 383.474 0.695 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420349100 1194223393 /nfs/dbraw/zinc/22/33/93/1194223393.db2.gz NSPATQVDNVXIGV-KBPBESRZSA-N 1 0 377.445 0.910 20 5 GCBDRO CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC000420471454 1194230382 /nfs/dbraw/zinc/23/03/82/1194230382.db2.gz AQHYZTGXBJBJLN-LLVKDONJSA-N 1 0 387.414 0.347 20 5 GCBDRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000502025963 1194256757 /nfs/dbraw/zinc/25/67/57/1194256757.db2.gz GQQPIKOVPCJZFJ-NWDGAFQWSA-N 1 0 380.401 0.649 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366946865 1194337781 /nfs/dbraw/zinc/33/77/81/1194337781.db2.gz UIWNZFXXUUDVEA-ZIAGYGMSSA-N 1 0 392.412 0.911 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000421705565 1194357588 /nfs/dbraw/zinc/35/75/88/1194357588.db2.gz RQVADPJRDDFGJZ-CQSZACIVSA-N 1 0 384.458 0.768 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000280764910 1194372037 /nfs/dbraw/zinc/37/20/37/1194372037.db2.gz BHENKRZMLLDCKI-GFCCVEGCSA-N 1 0 382.442 0.474 20 5 GCBDRO CC(C)[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000421985784 1194375468 /nfs/dbraw/zinc/37/54/68/1194375468.db2.gz JTGDVYGRPZPYLK-OAHLLOKOSA-N 1 0 386.474 0.918 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000421992328 1194376217 /nfs/dbraw/zinc/37/62/17/1194376217.db2.gz QQCNZBBOJMGWQK-INIZCTEOSA-N 1 0 396.469 0.958 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422098409 1194384133 /nfs/dbraw/zinc/38/41/33/1194384133.db2.gz JVDNNRLUUJJBRM-OAHLLOKOSA-N 1 0 389.456 0.796 20 5 GCBDRO C[C@@H](CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000422208621 1194590775 /nfs/dbraw/zinc/59/07/75/1194590775.db2.gz MVJYVAFMSHMATL-LBPRGKRZSA-N 1 0 387.462 0.465 20 5 GCBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422272828 1194597951 /nfs/dbraw/zinc/59/79/51/1194597951.db2.gz TXONJNQNTCVKBX-CYBMUJFWSA-N 1 0 378.433 0.095 20 5 GCBDRO CC[N@H+](CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000422289760 1194604473 /nfs/dbraw/zinc/60/44/73/1194604473.db2.gz BGFXEZRGJQKHCT-UHFFFAOYSA-N 1 0 390.444 0.239 20 5 GCBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000422337032 1194619477 /nfs/dbraw/zinc/61/94/77/1194619477.db2.gz ICLLOZROCKPDSP-LBPRGKRZSA-N 1 0 388.428 0.935 20 5 GCBDRO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422383565 1194630913 /nfs/dbraw/zinc/63/09/13/1194630913.db2.gz VVKOVLLXBVFUGU-UHFFFAOYSA-N 1 0 392.460 0.487 20 5 GCBDRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000041719830 1194702157 /nfs/dbraw/zinc/70/21/57/1194702157.db2.gz MEYJBRVZZRYXKL-UHFFFAOYSA-N 1 0 377.445 0.986 20 5 GCBDRO [NH3+]CC1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422915288 1194707543 /nfs/dbraw/zinc/70/75/43/1194707543.db2.gz AQKSOGFXUWEEOD-UHFFFAOYSA-N 1 0 382.442 0.557 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422938358 1194709975 /nfs/dbraw/zinc/70/99/75/1194709975.db2.gz PLBNRGYVYLGIOK-JKSUJKDBSA-N 1 0 384.458 0.230 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422951196 1194711929 /nfs/dbraw/zinc/71/19/29/1194711929.db2.gz ZVQCHGLCRZHMPX-CVEARBPZSA-N 1 0 384.458 0.230 20 5 GCBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422992619 1194713708 /nfs/dbraw/zinc/71/37/08/1194713708.db2.gz RPEYEGOHPZBGDI-OAHLLOKOSA-N 1 0 389.456 0.701 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1C[NH3+] ZINC000422989944 1194713759 /nfs/dbraw/zinc/71/37/59/1194713759.db2.gz MQMFWOLIHPZTSX-CABCVRRESA-N 1 0 389.456 0.687 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422994537 1194713789 /nfs/dbraw/zinc/71/37/89/1194713789.db2.gz VNLYWFDPGGPCOJ-ZIAGYGMSSA-N 1 0 375.429 0.439 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994533 1194713856 /nfs/dbraw/zinc/71/38/56/1194713856.db2.gz VNAGXIIOZMUAJD-LSDHHAIUSA-N 1 0 387.440 0.454 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422994534 1194713895 /nfs/dbraw/zinc/71/38/95/1194713895.db2.gz VNLYWFDPGGPCOJ-KBPBESRZSA-N 1 0 375.429 0.439 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCO1 ZINC000423113007 1194730853 /nfs/dbraw/zinc/73/08/53/1194730853.db2.gz YAGRCTQDXYPLNS-MRXNPFEDSA-N 1 0 376.413 0.662 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[C@@H]1[NH3+] ZINC000423147554 1194731314 /nfs/dbraw/zinc/73/13/14/1194731314.db2.gz CVOFVRHUBMXXBN-BBRMVZONSA-N 1 0 375.429 0.439 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423154661 1194732084 /nfs/dbraw/zinc/73/20/84/1194732084.db2.gz PGBZORUTIZTOKE-HNNXBMFYSA-N 1 0 389.456 0.701 20 5 GCBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423401612 1194753511 /nfs/dbraw/zinc/75/35/11/1194753511.db2.gz WCRTUCJNNDOKPW-CYBMUJFWSA-N 1 0 376.413 0.914 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423569400 1194768260 /nfs/dbraw/zinc/76/82/60/1194768260.db2.gz FTGZYRGGOSNHMP-CHWSQXEVSA-N 1 0 376.413 0.770 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423580639 1194770372 /nfs/dbraw/zinc/77/03/72/1194770372.db2.gz SSWWDAYFDRETPS-ZDUSSCGKSA-N 1 0 376.413 0.642 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423686811 1194786014 /nfs/dbraw/zinc/78/60/14/1194786014.db2.gz UKVWUQZAHPSTLF-CABCVRRESA-N 1 0 389.456 0.972 20 5 GCBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423733673 1194792154 /nfs/dbraw/zinc/79/21/54/1194792154.db2.gz CFSYMAWSXNICOT-HNNXBMFYSA-N 1 0 389.456 0.844 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@@H]1C[NH3+] ZINC000423737870 1194792651 /nfs/dbraw/zinc/79/26/51/1194792651.db2.gz QGGBXEZHMGEZSN-GXTWGEPZSA-N 1 0 378.433 0.541 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H]1C[NH3+] ZINC000423738408 1194792949 /nfs/dbraw/zinc/79/29/49/1194792949.db2.gz QMCLOXMIAXFWAA-RHSMWYFYSA-N 1 0 389.456 0.829 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424013887 1194799091 /nfs/dbraw/zinc/79/90/91/1194799091.db2.gz KYJHJPVNNHVRRW-CHWSQXEVSA-N 1 0 384.458 0.707 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424018352 1194799372 /nfs/dbraw/zinc/79/93/72/1194799372.db2.gz PYTZXZLVNFGBPF-OLZOCXBDSA-N 1 0 384.458 0.707 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424229295 1194806146 /nfs/dbraw/zinc/80/61/46/1194806146.db2.gz WTNGUNZKMLCUOF-LSDHHAIUSA-N 1 0 386.412 0.320 20 5 GCBDRO Cn1cc([C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424300853 1194807920 /nfs/dbraw/zinc/80/79/20/1194807920.db2.gz VATAJGDYWWSDSX-JKSUJKDBSA-N 1 0 379.442 0.529 20 5 GCBDRO COc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000424383067 1194810269 /nfs/dbraw/zinc/81/02/69/1194810269.db2.gz AJQBISYMMXVNTM-QWHCGFSZSA-N 1 0 381.414 0.452 20 5 GCBDRO COc1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424444581 1194811814 /nfs/dbraw/zinc/81/18/14/1194811814.db2.gz CXCTWLQKGAJFRA-QWHCGFSZSA-N 1 0 388.384 0.229 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424446691 1194812023 /nfs/dbraw/zinc/81/20/23/1194812023.db2.gz JFZWXGLSEYQWFA-UONOGXRCSA-N 1 0 376.348 0.359 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]2[NH3+])cn1 ZINC000424477108 1194814650 /nfs/dbraw/zinc/81/46/50/1194814650.db2.gz LFIJNRLRAOAKHR-QWHCGFSZSA-N 1 0 384.400 0.841 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000435001506 1194881521 /nfs/dbraw/zinc/88/15/21/1194881521.db2.gz XNOXRVGXRMJCIC-HNNXBMFYSA-N 1 0 396.444 0.557 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000514603256 1194886750 /nfs/dbraw/zinc/88/67/50/1194886750.db2.gz PEEYWZYUXIMMAT-CQSZACIVSA-N 1 0 384.458 0.254 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000514611791 1194887603 /nfs/dbraw/zinc/88/76/03/1194887603.db2.gz PXPOVWQVWUDONZ-UHFFFAOYSA-N 1 0 399.473 0.632 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1=O ZINC000425308483 1194907898 /nfs/dbraw/zinc/90/78/98/1194907898.db2.gz BZZBHFVSZMESQJ-CQSZACIVSA-N 1 0 378.429 0.812 20 5 GCBDRO CNc1c(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)cccc1[N+](=O)[O-] ZINC000425315728 1194911425 /nfs/dbraw/zinc/91/14/25/1194911425.db2.gz KTFHSYXWZCHSKF-ZDUSSCGKSA-N 1 0 393.444 0.545 20 5 GCBDRO CN(C)c1ncc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1C ZINC000425383982 1194936501 /nfs/dbraw/zinc/93/65/01/1194936501.db2.gz PYFPBRPAFRLQRZ-UHFFFAOYSA-N 1 0 396.473 0.763 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NC[C@@H](O)C(F)F)c([N+](=O)[O-])c1 ZINC000435586865 1194946057 /nfs/dbraw/zinc/94/60/57/1194946057.db2.gz ZGUKDFXVEMYCFH-CYBMUJFWSA-N 1 0 396.416 0.863 20 5 GCBDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515235128 1194961166 /nfs/dbraw/zinc/96/11/66/1194961166.db2.gz SEFMGPXWIUZENK-APWZRJJASA-N 1 0 388.472 0.953 20 5 GCBDRO CCn1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000435809700 1194966589 /nfs/dbraw/zinc/96/65/89/1194966589.db2.gz QLRIHCPZMNWCCQ-ZDUSSCGKSA-N 1 0 388.494 0.362 20 5 GCBDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425545945 1195005617 /nfs/dbraw/zinc/00/56/17/1195005617.db2.gz RNFGEOQBVCGDRU-AWEZNQCLSA-N 1 0 387.396 0.770 20 5 GCBDRO C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCC[NH+](C)C ZINC000516582209 1195070774 /nfs/dbraw/zinc/07/07/74/1195070774.db2.gz FGTUPDBYBRDYDP-LLVKDONJSA-N 1 0 380.401 0.091 20 5 GCBDRO COC(=O)CN1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000516607099 1195073070 /nfs/dbraw/zinc/07/30/70/1195073070.db2.gz AILYNXBWVYCTTK-LLVKDONJSA-N 1 0 386.430 0.539 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]1C[NH3+] ZINC000516759620 1195094242 /nfs/dbraw/zinc/09/42/42/1195094242.db2.gz RHEXWUVZFKITLP-ZIAGYGMSSA-N 1 0 390.444 0.082 20 5 GCBDRO NC(=O)c1ccnc(N2CCCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000516899393 1195111210 /nfs/dbraw/zinc/11/12/10/1195111210.db2.gz MMDXHOUHTNBALP-UHFFFAOYSA-N 1 0 376.417 0.223 20 5 GCBDRO CN(CC(=O)NCCC[C@H]1CCC[NH2+]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000516921938 1195112679 /nfs/dbraw/zinc/11/26/79/1195112679.db2.gz XYCVMCRKULDNSQ-CYBMUJFWSA-N 1 0 384.458 0.864 20 5 GCBDRO COC(=O)c1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc([N+](=O)[O-])c1 ZINC000517028138 1195126217 /nfs/dbraw/zinc/12/62/17/1195126217.db2.gz LYVDIYRTDMMNAP-CQSZACIVSA-N 1 0 392.412 0.841 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517722173 1195210392 /nfs/dbraw/zinc/21/03/92/1195210392.db2.gz QABQBKWUXLECCE-ZFWWWQNUSA-N 1 0 390.444 0.272 20 5 GCBDRO [NH3+]CCCOC1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429619201 1195258403 /nfs/dbraw/zinc/25/84/03/1195258403.db2.gz GVGRBJONWCGZHN-UHFFFAOYSA-N 1 0 393.444 0.750 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)C[C@H]2[NH3+])cn1 ZINC000518517866 1195300709 /nfs/dbraw/zinc/30/07/09/1195300709.db2.gz RMRVFCXJVOSSTK-JKSUJKDBSA-N 1 0 398.423 0.166 20 5 GCBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000518914908 1195346681 /nfs/dbraw/zinc/34/66/81/1195346681.db2.gz PGIOZQFWIGDBNO-OAHLLOKOSA-N 1 0 377.445 0.725 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000440054128 1195379016 /nfs/dbraw/zinc/37/90/16/1195379016.db2.gz OPFMZRMUCRWHIC-UHFFFAOYSA-N 1 0 394.428 0.753 20 5 GCBDRO CC(C)(C)NC(=O)CNC(=O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440500033 1195521919 /nfs/dbraw/zinc/52/19/19/1195521919.db2.gz ODXXHLJQAKJMCO-LBPRGKRZSA-N 1 0 378.433 0.507 20 5 GCBDRO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416304792 1195593149 /nfs/dbraw/zinc/59/31/49/1195593149.db2.gz VSVPYADBERZTEK-OAHLLOKOSA-N 1 0 396.469 0.958 20 5 GCBDRO C[NH+](C)C1(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000438514026 1195659860 /nfs/dbraw/zinc/65/98/60/1195659860.db2.gz JXMNPZGQVWMHCW-UHFFFAOYSA-N 1 0 384.458 0.864 20 5 GCBDRO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266849940 1195757898 /nfs/dbraw/zinc/75/78/98/1195757898.db2.gz QQOXUOYNTYBCRG-LBPRGKRZSA-N 1 0 384.458 0.964 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991594 1195773041 /nfs/dbraw/zinc/77/30/41/1195773041.db2.gz RVJLZUCATGRONF-XJKSGUPXSA-N 1 0 395.412 0.872 20 5 GCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506239 1195777497 /nfs/dbraw/zinc/77/74/97/1195777497.db2.gz OVZDXSMOBVGTGG-HZPDHXFCSA-N 1 0 390.444 0.685 20 5 GCBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000428202022 1195920500 /nfs/dbraw/zinc/92/05/00/1195920500.db2.gz HIEFISJJCCKOTR-UHFFFAOYSA-N 1 0 380.401 0.506 20 5 GCBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000520811501 1195923679 /nfs/dbraw/zinc/92/36/79/1195923679.db2.gz KMRWQTKUZLAENP-QWRGUYRKSA-N 1 0 387.414 0.508 20 5 GCBDRO CNS(=O)(=O)NC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000438999951 1195996161 /nfs/dbraw/zinc/99/61/61/1195996161.db2.gz MVCMGOSABRGITM-UHFFFAOYSA-N 1 0 399.473 0.750 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000522130019 1196045588 /nfs/dbraw/zinc/04/55/88/1196045588.db2.gz DHNZHZFHCJUGEX-UHFFFAOYSA-N 1 0 387.400 0.041 20 5 GCBDRO CNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000151620549 1196063755 /nfs/dbraw/zinc/06/37/55/1196063755.db2.gz MQCBRKNWQVLXFY-HNNXBMFYSA-N 1 0 375.429 0.697 20 5 GCBDRO O=C(CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CC[NH2+]CC1 ZINC000262259009 1196132530 /nfs/dbraw/zinc/13/25/30/1196132530.db2.gz XLFJQHCAKXKWBI-UHFFFAOYSA-N 1 0 381.458 0.236 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896547970 1196159565 /nfs/dbraw/zinc/15/95/65/1196159565.db2.gz GUYNRHLCGPHTMV-PBHICJAKSA-N 1 0 391.472 0.796 20 5 GCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896572538 1196167871 /nfs/dbraw/zinc/16/78/71/1196167871.db2.gz QDKPGURVVYPUOL-RDTXWAMCSA-N 1 0 391.472 0.796 20 5 GCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000281064317 1196274135 /nfs/dbraw/zinc/27/41/35/1196274135.db2.gz YYTIBVVKQCQQGP-CYBMUJFWSA-N 1 0 384.458 0.816 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000281198905 1196283403 /nfs/dbraw/zinc/28/34/03/1196283403.db2.gz PBVKWKQBIPAESL-UHFFFAOYSA-N 1 0 379.417 0.767 20 5 GCBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281422498 1196294635 /nfs/dbraw/zinc/29/46/35/1196294635.db2.gz BDNKRGWPSRIUCC-KGLIPLIRSA-N 1 0 378.429 0.628 20 5 GCBDRO C[N@@H+]1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281634975 1196315802 /nfs/dbraw/zinc/31/58/02/1196315802.db2.gz ABJVKYFXFPIKKX-UHFFFAOYSA-N 1 0 391.472 0.857 20 5 GCBDRO CNS(=O)(=O)c1ccc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281686239 1196322791 /nfs/dbraw/zinc/32/27/91/1196322791.db2.gz RGVDZRNUPBKPCL-UHFFFAOYSA-N 1 0 385.490 0.941 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000281808389 1196334722 /nfs/dbraw/zinc/33/47/22/1196334722.db2.gz ULEVPOLNKHADNQ-UHFFFAOYSA-N 1 0 379.417 0.040 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000281813229 1196335251 /nfs/dbraw/zinc/33/52/51/1196335251.db2.gz UZARDCWZSCBUBF-UHFFFAOYSA-N 1 0 393.444 0.256 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281820562 1196337242 /nfs/dbraw/zinc/33/72/42/1196337242.db2.gz RBGDTAQJWIVXJP-UHFFFAOYSA-N 1 0 391.472 0.775 20 5 GCBDRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1-c1cnc([N+](=O)[O-])cn1 ZINC001168056454 1196382367 /nfs/dbraw/zinc/38/23/67/1196382367.db2.gz YEGYKNWQNAUQES-UHFFFAOYSA-N 1 0 393.367 0.964 20 5 GCBDRO COC(=O)COc1ccc(CN(C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000475581308 1196472058 /nfs/dbraw/zinc/47/20/58/1196472058.db2.gz OEKMMMLRXRCYJJ-UHFFFAOYSA-N 1 0 381.385 0.437 20 5 GCBDRO CC(C)[N@H+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000523191206 1196500965 /nfs/dbraw/zinc/50/09/65/1196500965.db2.gz UTUAGEOVKVNSCE-UHFFFAOYSA-N 1 0 387.462 0.513 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440508666 1196511206 /nfs/dbraw/zinc/51/12/06/1196511206.db2.gz CODKUZCCTZESDG-LJQANCHMSA-N 1 0 386.408 0.510 20 5 GCBDRO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440504147 1196512398 /nfs/dbraw/zinc/51/23/98/1196512398.db2.gz WIOWJXATMPPFMV-PBHICJAKSA-N 1 0 383.449 0.548 20 5 GCBDRO CN(CC[NH+]1CCCC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000524204752 1196581163 /nfs/dbraw/zinc/58/11/63/1196581163.db2.gz JOLPUJJCOYBZDF-UHFFFAOYSA-N 1 0 399.473 0.610 20 5 GCBDRO COc1ccc(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000524419931 1196594317 /nfs/dbraw/zinc/59/43/17/1196594317.db2.gz HVJQFIBSQVSTMZ-AWEZNQCLSA-N 1 0 378.429 0.850 20 5 GCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCNS(=O)(=O)Cc2ccon2)n1 ZINC000447587691 1196732058 /nfs/dbraw/zinc/73/20/58/1196732058.db2.gz RVLVUQCPKHKFEA-UONOGXRCSA-N 1 0 398.445 0.972 20 5 GCBDRO C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000509657290 1196736089 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CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000246791984 1200419533 /nfs/dbraw/zinc/41/95/33/1200419533.db2.gz RIFPCGYYGXPPFP-UONOGXRCSA-N 1 0 378.433 0.240 20 5 GCBDRO CNc1nccc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)c1[N+](=O)[O-] ZINC000566923838 1200739778 /nfs/dbraw/zinc/73/97/78/1200739778.db2.gz KQRNGLHRJTWPFE-UHFFFAOYSA-N 1 0 379.417 1.036 20 5 GCBDRO CNc1nccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000553224151 1200740383 /nfs/dbraw/zinc/74/03/83/1200740383.db2.gz PTGXSMXJXWRDEH-HNNXBMFYSA-N 1 0 385.424 1.528 20 5 GCBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 ZINC000429446702 1201066258 /nfs/dbraw/zinc/06/62/58/1201066258.db2.gz DBXZKGNBAXTMPW-OAHLLOKOSA-N 1 0 389.456 0.945 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c([N+](=O)[O-])n1 ZINC000611105406 1201216566 /nfs/dbraw/zinc/21/65/66/1201216566.db2.gz KACRTBCVTJYSNY-CYBMUJFWSA-N 1 0 386.478 0.212 20 5 GCBDRO CCn1cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)c([N+](=O)[O-])n1 ZINC000611108871 1201218102 /nfs/dbraw/zinc/21/81/02/1201218102.db2.gz OMULQYKLBZCQLG-ZDUSSCGKSA-N 1 0 388.494 0.363 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000728076118 1201397554 /nfs/dbraw/zinc/39/75/54/1201397554.db2.gz AWFLTFKZECQIDB-LLVKDONJSA-N 1 0 379.373 0.820 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000733976371 1201636117 /nfs/dbraw/zinc/63/61/17/1201636117.db2.gz BORLTLDBGZOUNQ-CYBMUJFWSA-N 1 0 394.428 0.547 20 5 GCBDRO CNC(=O)C1([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000733998760 1201638596 /nfs/dbraw/zinc/63/85/96/1201638596.db2.gz DKHMHAKJQMZIAF-UHFFFAOYSA-N 1 0 389.456 0.892 20 5 GCBDRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855666 1201704030 /nfs/dbraw/zinc/70/40/30/1201704030.db2.gz MHGXGNXBGIRILG-NWDGAFQWSA-N 1 0 398.441 0.144 20 5 GCBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000737851080 1201731018 /nfs/dbraw/zinc/73/10/18/1201731018.db2.gz PQXWYFPJIMMFSM-HNNXBMFYSA-N 1 0 386.474 0.918 20 5 GCBDRO NC(=O)C1([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000746474893 1201926447 /nfs/dbraw/zinc/92/64/47/1201926447.db2.gz FHGJPDKKFQKNFB-UHFFFAOYSA-N 1 0 375.429 0.631 20 5 GCBDRO 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 ZINC001169020097 1201930905 /nfs/dbraw/zinc/93/09/05/1201930905.db2.gz IDSMBNPXNIDFON-FITYOTRXSA-N 1 0 375.429 0.884 20 5 GCBDRO 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 ZINC001169019561 1201931066 /nfs/dbraw/zinc/93/10/66/1201931066.db2.gz GIRFVTDZPZIWSB-BIVLZKPYSA-N 1 0 387.502 0.945 20 5 GCBDRO O=C(NCc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2)C1CC1 ZINC001169023014 1201931317 /nfs/dbraw/zinc/93/13/17/1201931317.db2.gz OCHJCPZMGFEANX-XJKSGUPXSA-N 1 0 389.456 0.921 20 5 GCBDRO 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 1201931372 /nfs/dbraw/zinc/93/13/72/1201931372.db2.gz NVJOSJJBVCSXFR-PSOLEGPJSA-N 1 0 391.472 0.932 20 5 GCBDRO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169023964 1201931452 /nfs/dbraw/zinc/93/14/52/1201931452.db2.gz WFTNWBPDZSFZTF-HIFRSBDPSA-N 1 0 393.444 0.157 20 5 GCBDRO CC(C)(C)C(=O)N1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001156252928 1201932384 /nfs/dbraw/zinc/93/23/84/1201932384.db2.gz PKGIYLVZZIJKGS-UHFFFAOYSA-N 1 0 377.449 0.489 20 5 GCBDRO COC(=O)COc1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)cc1[N+](=O)[O-] ZINC000789484575 1205441309 /nfs/dbraw/zinc/44/13/09/1205441309.db2.gz DTOAEURJWFZAKW-UHFFFAOYSA-N 1 0 395.412 0.467 20 5 GCBDRO COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307847 1205490935 /nfs/dbraw/zinc/49/09/35/1205490935.db2.gz JBHJQYCSDUAQNS-FZMZJTMJSA-N 1 0 381.433 0.929 20 5 GCBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)c([N+](=O)[O-])c1 ZINC001170341427 1205491021 /nfs/dbraw/zinc/49/10/21/1205491021.db2.gz ISBZLHCVCPOKSL-YJYMSZOUSA-N 1 0 390.440 0.957 20 5 GCBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)C1=O ZINC000808136376 1205599999 /nfs/dbraw/zinc/59/99/99/1205599999.db2.gz CPPZGFYGJCPSAU-OAHLLOKOSA-N 1 0 391.384 0.928 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000808270252 1205604453 /nfs/dbraw/zinc/60/44/53/1205604453.db2.gz UKMZDHCVPQFWQI-LLVKDONJSA-N 1 0 397.407 0.225 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170572650 1205619432 /nfs/dbraw/zinc/61/94/32/1205619432.db2.gz HPRVRUJCBWRXMQ-HZMBPMFUSA-N 1 0 381.385 0.813 20 5 GCBDRO CCO[C@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001133349207 1205665767 /nfs/dbraw/zinc/66/57/67/1205665767.db2.gz WYIAEIIVNNVPAL-CYBMUJFWSA-N 1 0 392.412 0.945 20 5 GCBDRO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]21 ZINC001172905942 1205717592 /nfs/dbraw/zinc/71/75/92/1205717592.db2.gz FGDSDDPZMPOTJO-QRQLOZEOSA-N 1 0 388.468 0.973 20 5 GCBDRO C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172908779 1205717609 /nfs/dbraw/zinc/71/76/09/1205717609.db2.gz ODDOYBSXJGHRAS-VCMPFVLKSA-N 1 0 396.440 0.276 20 5 GCBDRO C[C@H](NC(=O)[C@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(N)=O ZINC001173014981 1205718215 /nfs/dbraw/zinc/71/82/15/1205718215.db2.gz YIKDOVNDOPHGOE-UWVGGRQHSA-N 1 0 399.398 0.810 20 5 GCBDRO O=C1CC[C@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC001173691969 1205726381 /nfs/dbraw/zinc/72/63/81/1205726381.db2.gz XJOSNFCDHZHJFI-CYBMUJFWSA-N 1 0 396.469 0.864 20 5 GCBDRO CN1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC001173692418 1205726385 /nfs/dbraw/zinc/72/63/85/1205726385.db2.gz ISRFXRVZQJYXOO-CYBMUJFWSA-N 1 0 382.442 0.568 20 5 GCBDRO O=C1C[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC001173690457 1205726422 /nfs/dbraw/zinc/72/64/22/1205726422.db2.gz RNLFLHIPUSAPFZ-ZDUSSCGKSA-N 1 0 396.469 0.864 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC001173695545 1205726542 /nfs/dbraw/zinc/72/65/42/1205726542.db2.gz GFSBYPDBXIREEY-AWEZNQCLSA-N 1 0 385.442 0.441 20 5 GCBDRO O=C1C[C@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 ZINC001173693941 1205726745 /nfs/dbraw/zinc/72/67/45/1205726745.db2.gz GIUFGIGHNAVJNI-LLVKDONJSA-N 1 0 396.425 0.000 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC001173695809 1205726788 /nfs/dbraw/zinc/72/67/88/1205726788.db2.gz IEAVKKVOEMGAKE-CJNGLKHVSA-N 1 0 399.469 0.423 20 5 GCBDRO Cc1c(C(=O)N2CCN(C)CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001178974626 1205796771 /nfs/dbraw/zinc/79/67/71/1205796771.db2.gz UBIZGMNNYMXMFM-UHFFFAOYSA-N 1 0 387.444 0.803 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001179470504 1205810861 /nfs/dbraw/zinc/81/08/61/1205810861.db2.gz XDEDBLJPYPCABV-ACJLOTCBSA-N 1 0 376.413 0.743 20 5 GCBDRO CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC001180054671 1205817329 /nfs/dbraw/zinc/81/73/29/1205817329.db2.gz QSYOWPCTLQUMJE-KBPBESRZSA-N 1 0 397.453 0.670 20 5 GCBDRO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC001180054672 1205817390 /nfs/dbraw/zinc/81/73/90/1205817390.db2.gz QSYOWPCTLQUMJE-KGLIPLIRSA-N 1 0 397.453 0.670 20 5 GCBDRO CS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1[N+](=O)[O-] ZINC001180054674 1205817559 /nfs/dbraw/zinc/81/75/59/1205817559.db2.gz QSYOWPCTLQUMJE-ZIAGYGMSSA-N 1 0 397.453 0.670 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001181440776 1205844703 /nfs/dbraw/zinc/84/47/03/1205844703.db2.gz DOLGJQHYDCXYHC-BPUTZDHNSA-N 1 0 375.429 0.850 20 5 GCBDRO Cc1nn(C)c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC001184191197 1205905977 /nfs/dbraw/zinc/90/59/77/1205905977.db2.gz PCPQSVJIFMMHQK-UHFFFAOYSA-N 1 0 378.433 0.583 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@@H]2C1 ZINC001164852536 720837448 /nfs/dbraw/zinc/83/74/48/720837448.db2.gz KKZHYSQBCXPKOH-CZUORRHYSA-N 1 0 394.428 0.950 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164848641 720846573 /nfs/dbraw/zinc/84/65/73/720846573.db2.gz APOUHMIIRXMMLR-XJKSGUPXSA-N 1 0 394.428 0.950 20 5 GCBDRO COc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-] ZINC001164751351 720944186 /nfs/dbraw/zinc/94/41/86/720944186.db2.gz LNSWRONTBUMKDO-UHFFFAOYSA-N 1 0 391.388 0.236 20 5 GCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164748630 720945849 /nfs/dbraw/zinc/94/58/49/720945849.db2.gz BKWIIZLLCHHZFE-UHFFFAOYSA-N 1 0 376.373 0.070 20 5 GCBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])cc[n+]4[O-])C3)O2)CC1 ZINC001164892835 721382568 /nfs/dbraw/zinc/38/25/68/721382568.db2.gz TVFPNKRSNMOVOP-IEBWSBKVSA-N 1 0 391.472 0.994 20 5 GCBDRO COc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncc1[N+](=O)[O-] ZINC001164794107 721512745 /nfs/dbraw/zinc/51/27/45/721512745.db2.gz FYWJHWAPUSYBKR-UHFFFAOYSA-N 1 0 387.444 0.963 20 5 GCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165035332 721903633 /nfs/dbraw/zinc/90/36/33/721903633.db2.gz AUCFJLRXWAVBLS-AWEZNQCLSA-N 1 0 377.449 0.095 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000262342399 530220909 /nfs/dbraw/zinc/22/09/09/530220909.db2.gz SXHFSVVEDGTIMQ-GFCCVEGCSA-N 1 0 382.364 0.709 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCS(=O)CC2)c([N+](=O)[O-])c1 ZINC000480478885 530298513 /nfs/dbraw/zinc/29/85/13/530298513.db2.gz GWTQJCQEXMALHR-UHFFFAOYSA-N 1 0 390.487 0.003 20 5 GCBDRO CN(CC(=O)N[C@@H](CC[NH3+])C(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000563116268 530338403 /nfs/dbraw/zinc/33/84/03/530338403.db2.gz COPBUMGVPXFGAN-NSHDSACASA-N 1 0 380.373 0.314 20 5 GCBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000602551971 530484413 /nfs/dbraw/zinc/48/44/13/530484413.db2.gz QBVYNYPTTZLXTD-MRVPVSSYSA-N 1 0 391.165 0.918 20 5 GCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592014 530500688 /nfs/dbraw/zinc/50/06/88/530500688.db2.gz QJBIQMHCSWDTNO-RYUDHWBXSA-N 1 0 383.202 0.741 20 5 GCBDRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574912119 530569264 /nfs/dbraw/zinc/56/92/64/530569264.db2.gz QJNFADMCXJYQEF-GFCCVEGCSA-N 1 0 386.206 0.366 20 5 GCBDRO CSCC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269055561 530695995 /nfs/dbraw/zinc/69/59/95/530695995.db2.gz GIDAZTGQVZRACT-SNVBAGLBSA-N 1 0 376.460 0.070 20 5 GCBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NS(C)(=O)=O ZINC000591735599 530728909 /nfs/dbraw/zinc/72/89/09/530728909.db2.gz RHHRCMWKIXRIOH-UHFFFAOYSA-N 1 0 379.460 0.286 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H](CO)CCF)c([N+](=O)[O-])c1 ZINC000593510721 530813869 /nfs/dbraw/zinc/81/38/69/530813869.db2.gz WTRHWXJLDRNBDB-NSHDSACASA-N 1 0 378.426 0.567 20 5 GCBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000420471116 530869619 /nfs/dbraw/zinc/86/96/19/530869619.db2.gz AKVSBHADELMRFV-JTQLQIEISA-N 1 0 380.220 0.624 20 5 GCBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420485277 530870468 /nfs/dbraw/zinc/87/04/68/530870468.db2.gz ZMQWOVBMNUFRLR-SECBINFHSA-N 1 0 380.220 0.624 20 5 GCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447254001 530908613 /nfs/dbraw/zinc/90/86/13/530908613.db2.gz DRUIUALPSFWOQC-SNVBAGLBSA-N 1 0 376.460 0.665 20 5 GCBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443289848 530896210 /nfs/dbraw/zinc/89/62/10/530896210.db2.gz ZUNLMQKOMHQVKO-UHFFFAOYSA-N 1 0 395.865 0.809 20 5 GCBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000428196527 530896884 /nfs/dbraw/zinc/89/68/84/530896884.db2.gz DPKXKZNZZKXNLL-UHFFFAOYSA-N 1 0 399.245 0.790 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000271684603 530924400 /nfs/dbraw/zinc/92/44/00/530924400.db2.gz JECMJGWWRVEEHD-LLVKDONJSA-N 1 0 377.444 0.040 20 5 GCBDRO CSCC[C@@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000496202854 530939049 /nfs/dbraw/zinc/93/90/49/530939049.db2.gz JHFUEAPTOIDFFY-LLVKDONJSA-N 1 0 390.487 0.607 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262771330 531064434 /nfs/dbraw/zinc/06/44/34/531064434.db2.gz MEZWTLGBQXACDP-UHFFFAOYSA-N 1 0 376.410 0.316 20 5 GCBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000737876945 598675098 /nfs/dbraw/zinc/67/50/98/598675098.db2.gz KXBTYEKDGLTWGQ-UHFFFAOYSA-N 1 0 386.416 0.519 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821623189 607034765 /nfs/dbraw/zinc/03/47/65/607034765.db2.gz FTTQJUDAHMYWSZ-AWEZNQCLSA-N 1 0 386.416 0.518 20 5 GCBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821622310 607126186 /nfs/dbraw/zinc/12/61/86/607126186.db2.gz YTWXVLSBMIUPIK-SECBINFHSA-N 1 0 388.417 0.864 20 5 GCBDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826077172 608018786 /nfs/dbraw/zinc/01/87/86/608018786.db2.gz CCEQSSOSVRSJQY-UHFFFAOYSA-N 1 0 385.388 0.831 20 5 GCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000826497372 609213402 /nfs/dbraw/zinc/21/34/02/609213402.db2.gz FGAKNWBUVSOYDR-UHFFFAOYSA-N 1 0 389.416 0.438 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000762554363 640609551 /nfs/dbraw/zinc/60/95/51/640609551.db2.gz GOQWSCYOUPZQQF-GFCCVEGCSA-N 1 0 394.247 0.702 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000762556809 640610091 /nfs/dbraw/zinc/61/00/91/640610091.db2.gz WEGJSWMXWSLABI-GFCCVEGCSA-N 1 0 394.247 0.702 20 5 GCBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CCOCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000858633405 642964204 /nfs/dbraw/zinc/96/42/04/642964204.db2.gz QLNWXBPYKMVGTA-UHFFFAOYSA-N 1 0 376.391 0.716 20 5 GCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000858634377 642964232 /nfs/dbraw/zinc/96/42/32/642964232.db2.gz QNFKBWPIHJOUKV-UHFFFAOYSA-N 1 0 382.236 0.953 20 5 GCBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000164471318 1192165136 /nfs/dbraw/zinc/16/51/36/1192165136.db2.gz RIFPCGYYGXPPFP-KGLIPLIRSA-N 1 0 378.433 0.240 20 5 GCBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2n(C)c1=O ZINC000585707041 1192392445 /nfs/dbraw/zinc/39/24/45/1192392445.db2.gz LCCJVZBTWKDNHZ-ZDUSSCGKSA-N 1 0 375.429 0.944 20 5 GCBDRO CC[NH+](CC)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000066986887 1192465959 /nfs/dbraw/zinc/46/59/59/1192465959.db2.gz KXKBJNLUAXCJMZ-UHFFFAOYSA-N 1 0 387.462 0.514 20 5 GCBDRO C[N@H+]1C[C@H]2CN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000279152236 1192474916 /nfs/dbraw/zinc/47/49/16/1192474916.db2.gz DQANOFRZEOFMFC-TXEJJXNPSA-N 1 0 397.457 0.064 20 5 GCBDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279585780 1192560065 /nfs/dbraw/zinc/56/00/65/1192560065.db2.gz CXWDYYAOSSYXSU-JLJPHGGASA-N 1 0 395.439 0.430 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)ccc1[N+](=O)[O-] ZINC000418768112 1192641223 /nfs/dbraw/zinc/64/12/23/1192641223.db2.gz OTQJMDBUMBJRIQ-HNNXBMFYSA-N 1 0 393.444 0.814 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418784587 1192643539 /nfs/dbraw/zinc/64/35/39/1192643539.db2.gz HEMITLPLRQDXAD-MRXNPFEDSA-N 1 0 391.428 0.441 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000418954153 1192700693 /nfs/dbraw/zinc/70/06/93/1192700693.db2.gz XFEMYTLJJRVNQY-GWCFXTLKSA-N 1 0 380.401 0.449 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000419015759 1192720605 /nfs/dbraw/zinc/72/06/05/1192720605.db2.gz DYRLYRGKGVOVGT-LBPRGKRZSA-N 1 0 380.401 0.139 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000419032610 1192733086 /nfs/dbraw/zinc/73/30/86/1192733086.db2.gz WITFVBQPOBYBAH-VXGBXAGGSA-N 1 0 394.428 0.466 20 5 GCBDRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000419162161 1192820774 /nfs/dbraw/zinc/82/07/74/1192820774.db2.gz GGOXNUZYNHCQDD-QWHCGFSZSA-N 1 0 384.820 0.829 20 5 GCBDRO Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000573578890 1192907733 /nfs/dbraw/zinc/90/77/33/1192907733.db2.gz YCJNFRUYUXDCQW-CHWSQXEVSA-N 1 0 384.396 0.308 20 5 GCBDRO O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573598609 1192908269 /nfs/dbraw/zinc/90/82/69/1192908269.db2.gz AKNCHTBZKKQTLK-AEFFLSMTSA-N 1 0 387.440 0.976 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])c1 ZINC000432931934 1192912546 /nfs/dbraw/zinc/91/25/46/1192912546.db2.gz FSMDIYKBYPTZAP-LBPRGKRZSA-N 1 0 399.473 0.515 20 5 GCBDRO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000274566560 1184101984 /nfs/dbraw/zinc/10/19/84/1184101984.db2.gz QEJWJEMWCSSQAD-KRWDZBQOSA-N 1 0 392.456 0.938 20 5 GCBDRO CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274760436 1184278833 /nfs/dbraw/zinc/27/88/33/1184278833.db2.gz HYXCKODRQQRQGN-GJZGRUSLSA-N 1 0 396.469 0.632 20 5 GCBDRO Cc1c(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274972998 1184443358 /nfs/dbraw/zinc/44/33/58/1184443358.db2.gz IOPJIHDDRRQAJV-GFCCVEGCSA-N 1 0 391.384 0.848 20 5 GCBDRO Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000175522920 1184591403 /nfs/dbraw/zinc/59/14/03/1184591403.db2.gz KDYJOEXNPDRWPH-AWEZNQCLSA-N 1 0 378.389 0.799 20 5 GCBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000275318045 1184600541 /nfs/dbraw/zinc/60/05/41/1184600541.db2.gz ZRSFQIBFWJIBCF-UHFFFAOYSA-N 1 0 378.385 0.859 20 5 GCBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000580307616 1185149002 /nfs/dbraw/zinc/14/90/02/1185149002.db2.gz YIXCSTQWBFPDQE-DOMZBBRYSA-N 1 0 382.442 0.426 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CCC(OCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000580323817 1185160225 /nfs/dbraw/zinc/16/02/25/1185160225.db2.gz KJFMCRAEPIJLMC-UHFFFAOYSA-N 1 0 378.429 0.989 20 5 GCBDRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000275852450 1185184535 /nfs/dbraw/zinc/18/45/35/1185184535.db2.gz HITGLBQJVUJZBS-UHFFFAOYSA-N 1 0 390.343 0.877 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261645900 1185221502 /nfs/dbraw/zinc/22/15/02/1185221502.db2.gz FCMGYDDLHHIALG-DVOMOZLQSA-N 1 0 396.469 0.944 20 5 GCBDRO C[C@@]1(C[NH3+])CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000261796689 1185259268 /nfs/dbraw/zinc/25/92/68/1185259268.db2.gz GTEHOUXMDZWOQO-HNNXBMFYSA-N 1 0 385.446 0.242 20 5 GCBDRO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000261855947 1185277896 /nfs/dbraw/zinc/27/78/96/1185277896.db2.gz NYLOYXYEVHIVAP-AWEZNQCLSA-N 1 0 396.469 0.817 20 5 GCBDRO [NH3+][C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000261949194 1185290336 /nfs/dbraw/zinc/29/03/36/1185290336.db2.gz PISYXKOQRSMPDQ-GJZGRUSLSA-N 1 0 382.442 0.601 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000261959653 1185292165 /nfs/dbraw/zinc/29/21/65/1185292165.db2.gz JSVBURVGELJUBW-UONOGXRCSA-N 1 0 396.469 0.945 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000261969884 1185296042 /nfs/dbraw/zinc/29/60/42/1185296042.db2.gz UHMLQDDBFOHUOM-GFCCVEGCSA-N 1 0 382.442 0.379 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261990024 1185298750 /nfs/dbraw/zinc/29/87/50/1185298750.db2.gz RBOBTQPYJVOOBY-XJKSGUPXSA-N 1 0 396.469 0.945 20 5 GCBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262036725 1185308888 /nfs/dbraw/zinc/30/88/88/1185308888.db2.gz KRYFOYORDYOAST-LBPRGKRZSA-N 1 0 395.847 0.484 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000580706020 1185311021 /nfs/dbraw/zinc/31/10/21/1185311021.db2.gz PPSYKBWEKJFWRX-DAXOMENPSA-N 1 0 376.413 0.676 20 5 GCBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262115128 1185374172 /nfs/dbraw/zinc/37/41/72/1185374172.db2.gz VZAMFPSKJFGVDE-ZDUSSCGKSA-N 1 0 376.335 0.926 20 5 GCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262132942 1185382303 /nfs/dbraw/zinc/38/23/03/1185382303.db2.gz XATFHEZMBMYXBF-MRXNPFEDSA-N 1 0 375.429 0.221 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262144321 1185383708 /nfs/dbraw/zinc/38/37/08/1185383708.db2.gz YDUBTJXWJRCMDF-CQSZACIVSA-N 1 0 376.413 0.415 20 5 GCBDRO CN1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000580884231 1185403593 /nfs/dbraw/zinc/40/35/93/1185403593.db2.gz LCEHCKXNUCQHAZ-INIZCTEOSA-N 1 0 377.445 0.135 20 5 GCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581067578 1185482714 /nfs/dbraw/zinc/48/27/14/1185482714.db2.gz ZYWSUJFZWXSUQW-OAHLLOKOSA-N 1 0 390.444 0.239 20 5 GCBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000581246421 1185552839 /nfs/dbraw/zinc/55/28/39/1185552839.db2.gz URBKECIAJOXFIA-AWEZNQCLSA-N 1 0 383.430 0.029 20 5 GCBDRO COC(=O)CC[N@@H+](CC(OC)OC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000274350661 1185725389 /nfs/dbraw/zinc/72/53/89/1185725389.db2.gz WZVKQOQTGRMEDM-CYBMUJFWSA-N 1 0 386.401 0.819 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262279229 1185726934 /nfs/dbraw/zinc/72/69/34/1185726934.db2.gz WVPNNHWYULMZOL-NSHDSACASA-N 1 0 386.430 0.031 20 5 GCBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581538499 1185748954 /nfs/dbraw/zinc/74/89/54/1185748954.db2.gz KBYHYCQEEPHUQZ-OAHLLOKOSA-N 1 0 378.429 0.984 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610784579 1186185007 /nfs/dbraw/zinc/18/50/07/1186185007.db2.gz BMXNFULPJTYOAY-DOTOQJQBSA-N 1 0 398.485 0.881 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610784580 1186185115 /nfs/dbraw/zinc/18/51/15/1186185115.db2.gz BMXNFULPJTYOAY-NVXWUHKLSA-N 1 0 398.485 0.881 20 5 GCBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000176267622 1186259492 /nfs/dbraw/zinc/25/94/92/1186259492.db2.gz GNIAUQDHLYQGLD-UHFFFAOYSA-N 1 0 392.420 0.992 20 5 GCBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000262493028 1186301714 /nfs/dbraw/zinc/30/17/14/1186301714.db2.gz VNMNBWLGJGPRNJ-CYBMUJFWSA-N 1 0 377.445 0.991 20 5 GCBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263005239 1186336695 /nfs/dbraw/zinc/33/66/95/1186336695.db2.gz PFOAKINQWUOFCD-HOCLYGCPSA-N 1 0 384.458 0.897 20 5 GCBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263005235 1186337023 /nfs/dbraw/zinc/33/70/23/1186337023.db2.gz PFOAKINQWUOFCD-GOEBONIOSA-N 1 0 384.458 0.897 20 5 GCBDRO COc1cc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc([N+](=O)[O-])c1OC ZINC000582061498 1186387768 /nfs/dbraw/zinc/38/77/68/1186387768.db2.gz WDVWRDHDIBWMCO-UHFFFAOYSA-N 1 0 377.361 0.392 20 5 GCBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551278945 1186406770 /nfs/dbraw/zinc/40/67/70/1186406770.db2.gz YUHQDODIIIWGFP-CYBMUJFWSA-N 1 0 390.444 0.555 20 5 GCBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551497949 1186421834 /nfs/dbraw/zinc/42/18/34/1186421834.db2.gz IOSNWLQKUSIZAE-CABCVRRESA-N 1 0 390.444 0.698 20 5 GCBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000551497952 1186423072 /nfs/dbraw/zinc/42/30/72/1186423072.db2.gz IOSNWLQKUSIZAE-LSDHHAIUSA-N 1 0 390.444 0.698 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000582138114 1186436241 /nfs/dbraw/zinc/43/62/41/1186436241.db2.gz ZGKHOBXJAYEORW-DYVFJYSZSA-N 1 0 380.449 0.400 20 5 GCBDRO CC[N@H+](CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263701806 1186466012 /nfs/dbraw/zinc/46/60/12/1186466012.db2.gz IPTUDIFLKCUREY-UHFFFAOYSA-N 1 0 399.473 0.657 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000582219817 1186469192 /nfs/dbraw/zinc/46/91/92/1186469192.db2.gz RMGPMEZCLNSHKZ-QZTJIDSGSA-N 1 0 393.419 0.954 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263944892 1186490796 /nfs/dbraw/zinc/49/07/96/1186490796.db2.gz CBHZVPKICGHFDS-UHFFFAOYSA-N 1 0 375.385 0.906 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000582356362 1186502849 /nfs/dbraw/zinc/50/28/49/1186502849.db2.gz QIQJPHONXUCSOW-INIZCTEOSA-N 1 0 395.441 0.482 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264095844 1186580870 /nfs/dbraw/zinc/58/08/70/1186580870.db2.gz HIYZHGOXKLXFJV-KRWDZBQOSA-N 1 0 394.472 0.821 20 5 GCBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479876325 1186597697 /nfs/dbraw/zinc/59/76/97/1186597697.db2.gz SOXSLBDKZNAFGS-TUAOUCFPSA-N 1 0 382.442 0.717 20 5 GCBDRO Cc1cc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(C)n1 ZINC000583018679 1186749065 /nfs/dbraw/zinc/74/90/65/1186749065.db2.gz BGIBEMMIJNOIBD-UHFFFAOYSA-N 1 0 398.423 0.967 20 5 GCBDRO COc1ccc(C[C@@H](C)[NH3+])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167648732 1186750165 /nfs/dbraw/zinc/75/01/65/1186750165.db2.gz ZKWJGIOKELKNIB-SNVBAGLBSA-N 1 0 396.425 0.993 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000158769929 1186750741 /nfs/dbraw/zinc/75/07/41/1186750741.db2.gz GQMLDRROACACNR-ZDUSSCGKSA-N 1 0 379.417 0.204 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000583118438 1186774580 /nfs/dbraw/zinc/77/45/80/1186774580.db2.gz MWUCVHUXBQKVEG-BHIYHBOVSA-N 1 0 389.456 0.625 20 5 GCBDRO CN1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+](C)CC1 ZINC000888986299 1186809130 /nfs/dbraw/zinc/80/91/30/1186809130.db2.gz ADWXTHJAWYHFJD-KRWDZBQOSA-N 1 0 375.429 0.794 20 5 GCBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572954128 1186821405 /nfs/dbraw/zinc/82/14/05/1186821405.db2.gz DTVYOAQHNSFXSV-JKSUJKDBSA-N 1 0 388.442 0.779 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000278206342 1186828871 /nfs/dbraw/zinc/82/88/71/1186828871.db2.gz GHNLYKBJHJHNKQ-UHFFFAOYSA-N 1 0 396.469 0.864 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000278324308 1186888986 /nfs/dbraw/zinc/88/89/86/1186888986.db2.gz KDWOUDPZWCGYSI-UHFFFAOYSA-N 1 0 396.469 0.864 20 5 GCBDRO COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000278337069 1186895565 /nfs/dbraw/zinc/89/55/65/1186895565.db2.gz GXGOFUQXXNHCLW-PHIMTYICSA-N 1 0 384.414 0.955 20 5 GCBDRO NC(=O)c1ccc(SCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000583774519 1186936901 /nfs/dbraw/zinc/93/69/01/1186936901.db2.gz VFUCAPGBESOXSQ-CYBMUJFWSA-N 1 0 396.469 0.749 20 5 GCBDRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000583857938 1186953432 /nfs/dbraw/zinc/95/34/32/1186953432.db2.gz URDUNLDGIBEGSH-UHFFFAOYSA-N 1 0 377.445 0.654 20 5 GCBDRO COc1cc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000536180293 1186973836 /nfs/dbraw/zinc/97/38/36/1186973836.db2.gz MPMCACVBRHJPDH-UHFFFAOYSA-N 1 0 380.445 0.723 20 5 GCBDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052875867 1187015491 /nfs/dbraw/zinc/01/54/91/1187015491.db2.gz FTIYQESKROEWHQ-UHFFFAOYSA-N 1 0 398.485 0.987 20 5 GCBDRO CN(C)C(=O)CCN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000584227437 1187017874 /nfs/dbraw/zinc/01/78/74/1187017874.db2.gz QUGNKVAHHBTLRI-INIZCTEOSA-N 1 0 394.472 0.867 20 5 GCBDRO COCC[N@H+](C)CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000515045313 1187120677 /nfs/dbraw/zinc/12/06/77/1187120677.db2.gz IXYLHTDHLNPFAW-UHFFFAOYSA-N 1 0 380.401 0.405 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375778485 1187148942 /nfs/dbraw/zinc/14/89/42/1187148942.db2.gz STSKTVROZCXHCA-GOEBONIOSA-N 1 0 384.458 0.538 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[N+](=O)[O-])CC1 ZINC000236626085 1187503076 /nfs/dbraw/zinc/50/30/76/1187503076.db2.gz YYKJUBVZBAALLB-OAHLLOKOSA-N 1 0 375.429 0.745 20 5 GCBDRO COC(=O)[C@@H]1CN(C)CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000411762325 1187511562 /nfs/dbraw/zinc/51/15/62/1187511562.db2.gz XECLBJUNLWHHGK-CYBMUJFWSA-N 1 0 392.412 0.713 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000411835211 1187518984 /nfs/dbraw/zinc/51/89/84/1187518984.db2.gz SEYGYXGXOSZZLY-MRXNPFEDSA-N 1 0 399.469 0.834 20 5 GCBDRO C[C@@H]1C[C@H](O)CN1c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000472442634 1187527364 /nfs/dbraw/zinc/52/73/64/1187527364.db2.gz BRGXACQOXGFHQG-OLZOCXBDSA-N 1 0 386.474 0.784 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000411912742 1187531112 /nfs/dbraw/zinc/53/11/12/1187531112.db2.gz ILGZULLTIBSLAB-CYBMUJFWSA-N 1 0 394.428 0.969 20 5 GCBDRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[N@H+](C)C1 ZINC000411925004 1187532653 /nfs/dbraw/zinc/53/26/53/1187532653.db2.gz YQOHKHFXXPGXTQ-STQMWFEESA-N 1 0 394.428 0.967 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(-n2ccc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167691080 1187580036 /nfs/dbraw/zinc/58/00/36/1187580036.db2.gz XXXVXDSLLBXNOD-UHFFFAOYSA-N 1 0 375.341 0.148 20 5 GCBDRO O=c1n(CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc2n1CCCC2 ZINC000579943125 1187651598 /nfs/dbraw/zinc/65/15/98/1187651598.db2.gz CADBEUREAANMDB-HNNXBMFYSA-N 1 0 391.428 0.709 20 5 GCBDRO C[N@H+]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000580272742 1187677798 /nfs/dbraw/zinc/67/77/98/1187677798.db2.gz VJQXAWCWEVMAMI-BETUJISGSA-N 1 0 382.442 0.283 20 5 GCBDRO COCCC(=O)N1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000580554580 1187691397 /nfs/dbraw/zinc/69/13/97/1187691397.db2.gz YFSDKKMWKNPVOJ-MRXNPFEDSA-N 1 0 381.429 0.952 20 5 GCBDRO Cc1ccc(NCCCNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000581619483 1187716883 /nfs/dbraw/zinc/71/68/83/1187716883.db2.gz YCXOAHYXCQSKOJ-ZIAGYGMSSA-N 1 0 390.444 0.659 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000582293868 1187735401 /nfs/dbraw/zinc/73/54/01/1187735401.db2.gz YVEQZFLJKIMOKU-AWEZNQCLSA-N 1 0 378.433 0.301 20 5 GCBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582357128 1187735450 /nfs/dbraw/zinc/73/54/50/1187735450.db2.gz HVDGETBDHYLBQU-SWLSCSKDSA-N 1 0 384.458 0.897 20 5 GCBDRO CS(=O)(=O)c1ccc(OCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000582415413 1187737660 /nfs/dbraw/zinc/73/76/60/1187737660.db2.gz SODCVYVPYIFQRX-ZDUSSCGKSA-N 1 0 384.414 0.224 20 5 GCBDRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000582536873 1187749250 /nfs/dbraw/zinc/74/92/50/1187749250.db2.gz YKHIZLDWEUWMNI-UHFFFAOYSA-N 1 0 397.457 0.057 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000616089259 1187827500 /nfs/dbraw/zinc/82/75/00/1187827500.db2.gz SRXFMNITSGUBKU-UHFFFAOYSA-N 1 0 389.430 0.564 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472613356 1187906165 /nfs/dbraw/zinc/90/61/65/1187906165.db2.gz NOJAFAMSDMEZRE-LLVKDONJSA-N 1 0 395.391 0.376 20 5 GCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000472634518 1187969304 /nfs/dbraw/zinc/96/93/04/1187969304.db2.gz HABNOZDKCQDNJO-LBPRGKRZSA-N 1 0 380.376 0.853 20 5 GCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415335684 1188051457 /nfs/dbraw/zinc/05/14/57/1188051457.db2.gz SGHAVGAFKDSVOR-CYBMUJFWSA-N 1 0 389.412 0.204 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415369910 1188063243 /nfs/dbraw/zinc/06/32/43/1188063243.db2.gz MZLHFYJVTLHPGB-JTQLQIEISA-N 1 0 397.819 0.500 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415597095 1188117793 /nfs/dbraw/zinc/11/77/93/1188117793.db2.gz SYELIQVIFKNGKR-SFHVURJKSA-N 1 0 390.396 0.907 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377763243 1188133868 /nfs/dbraw/zinc/13/38/68/1188133868.db2.gz VFBDQORLMLGKDC-JKSUJKDBSA-N 1 0 396.469 0.625 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000415667990 1188135051 /nfs/dbraw/zinc/13/50/51/1188135051.db2.gz BSMKIDIWEUBMPE-TXEJJXNPSA-N 1 0 376.369 0.306 20 5 GCBDRO C[C@]1(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000377905090 1189368531 /nfs/dbraw/zinc/36/85/31/1189368531.db2.gz JBKOSKFNEWZMNG-RDTXWAMCSA-N 1 0 392.412 0.645 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415895315 1189399733 /nfs/dbraw/zinc/39/97/33/1189399733.db2.gz PJSQJVZXYNQFJC-NEPJUHHUSA-N 1 0 390.396 0.763 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415895325 1189400181 /nfs/dbraw/zinc/40/01/81/1189400181.db2.gz PJSQJVZXYNQFJC-VXGBXAGGSA-N 1 0 390.396 0.763 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000416027641 1189415003 /nfs/dbraw/zinc/41/50/03/1189415003.db2.gz JFLOPTSXCKCPDC-LLVKDONJSA-N 1 0 398.363 0.947 20 5 GCBDRO NC(=O)c1ccc(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000104067645 1189442274 /nfs/dbraw/zinc/44/22/74/1189442274.db2.gz FDHDTFUASQMLBU-HNNXBMFYSA-N 1 0 375.429 0.608 20 5 GCBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000290695718 1189448896 /nfs/dbraw/zinc/44/88/96/1189448896.db2.gz NBWXVAFFSZIFQW-LBPRGKRZSA-N 1 0 382.446 0.878 20 5 GCBDRO CN(C)CC[N@H+](C)CCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000290701813 1189449060 /nfs/dbraw/zinc/44/90/60/1189449060.db2.gz STCFMJHHPSTBAQ-UHFFFAOYSA-N 1 0 399.879 0.978 20 5 GCBDRO C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000416314169 1189488215 /nfs/dbraw/zinc/48/82/15/1189488215.db2.gz SLWQIIJWGDUFLG-QWHCGFSZSA-N 1 0 379.413 0.822 20 5 GCBDRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000363905985 1189566203 /nfs/dbraw/zinc/56/62/03/1189566203.db2.gz GPNVKRXGONVGDS-QWHCGFSZSA-N 1 0 391.384 0.660 20 5 GCBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417277145 1189637982 /nfs/dbraw/zinc/63/79/82/1189637982.db2.gz FUMZKBSZBNCRKA-RYUDHWBXSA-N 1 0 385.446 0.300 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417264780 1189638068 /nfs/dbraw/zinc/63/80/68/1189638068.db2.gz ADJKOLIIPZMKJQ-OLZOCXBDSA-N 1 0 397.457 0.124 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266060 1189638854 /nfs/dbraw/zinc/63/88/54/1189638854.db2.gz BPIMJARDKFXIJG-VXGBXAGGSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417288197 1189640516 /nfs/dbraw/zinc/64/05/16/1189640516.db2.gz XZEPLRGGYTWFSR-SWLSCSKDSA-N 1 0 397.457 0.267 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[NH2+]1 ZINC000417288189 1189640559 /nfs/dbraw/zinc/64/05/59/1189640559.db2.gz XXWBOOOYMUXIEW-RYUDHWBXSA-N 1 0 385.446 0.265 20 5 GCBDRO CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417289337 1189640954 /nfs/dbraw/zinc/64/09/54/1189640954.db2.gz ZYSDCZIOSYQCJN-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO CCCN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000417280507 1189641530 /nfs/dbraw/zinc/64/15/30/1189641530.db2.gz KWFOXWWEMULPMA-AWEZNQCLSA-N 1 0 399.473 0.657 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000417306430 1189644086 /nfs/dbraw/zinc/64/40/86/1189644086.db2.gz CIPSATWFZQRUHS-LLVKDONJSA-N 1 0 395.388 0.155 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417327207 1189646070 /nfs/dbraw/zinc/64/60/70/1189646070.db2.gz SAZAZLMYXOUELV-OAHLLOKOSA-N 1 0 385.446 0.253 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417340008 1189648548 /nfs/dbraw/zinc/64/85/48/1189648548.db2.gz LQKGYXDCEBZPOL-OLZOCXBDSA-N 1 0 397.457 0.409 20 5 GCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417336320 1189649041 /nfs/dbraw/zinc/64/90/41/1189649041.db2.gz HOAXSZIRFVMNJN-NWDGAFQWSA-N 1 0 385.446 0.265 20 5 GCBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417345053 1189651628 /nfs/dbraw/zinc/65/16/28/1189651628.db2.gz STGVKJOSWPOKHG-CYBMUJFWSA-N 1 0 385.446 0.267 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000584834180 1189684236 /nfs/dbraw/zinc/68/42/36/1189684236.db2.gz CMVGXNYXJYODJR-ROUUACIJSA-N 1 0 393.419 0.954 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000566493807 1189694726 /nfs/dbraw/zinc/69/47/26/1189694726.db2.gz ICDCLOVLDRRFHL-DGCLKSJQSA-N 1 0 377.401 0.176 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]1 ZINC000417676287 1189696269 /nfs/dbraw/zinc/69/62/69/1189696269.db2.gz FECQPPGVGIWJNC-GFCCVEGCSA-N 1 0 385.446 0.314 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417682544 1189696278 /nfs/dbraw/zinc/69/62/78/1189696278.db2.gz SPDZIIPMZUDBGZ-NEPJUHHUSA-N 1 0 385.446 0.313 20 5 GCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000417686643 1189696447 /nfs/dbraw/zinc/69/64/47/1189696447.db2.gz BETCSYLEAPERSO-CHWSQXEVSA-N 1 0 399.473 0.560 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690734 1189696535 /nfs/dbraw/zinc/69/65/35/1189696535.db2.gz IQQHYALDYAEGAW-VXGBXAGGSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417688787 1189696541 /nfs/dbraw/zinc/69/65/41/1189696541.db2.gz FBOMDLWDLJAFAN-STQMWFEESA-N 1 0 399.473 0.784 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417690416 1189696560 /nfs/dbraw/zinc/69/65/60/1189696560.db2.gz HZHVPEKRXQUDLO-OLZOCXBDSA-N 1 0 397.457 0.409 20 5 GCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000417686644 1189696568 /nfs/dbraw/zinc/69/65/68/1189696568.db2.gz BETCSYLEAPERSO-OLZOCXBDSA-N 1 0 399.473 0.560 20 5 GCBDRO CCC([NH3+])(CC)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417690180 1189696572 /nfs/dbraw/zinc/69/65/72/1189696572.db2.gz HKNKUHABVODSSY-UHFFFAOYSA-N 1 0 387.462 0.690 20 5 GCBDRO CCCC[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689871 1189696625 /nfs/dbraw/zinc/69/66/25/1189696625.db2.gz HAPAGNGFDQHDCT-GFCCVEGCSA-N 1 0 387.462 0.690 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417690935 1189696672 /nfs/dbraw/zinc/69/66/72/1189696672.db2.gz JDNWSNGCJFVJJE-QWHCGFSZSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417680478 1189697390 /nfs/dbraw/zinc/69/73/90/1189697390.db2.gz NPPNMVHGPDAWLB-RYUDHWBXSA-N 1 0 385.446 0.170 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417700005 1189697477 /nfs/dbraw/zinc/69/74/77/1189697477.db2.gz LPDIWEPMKXPZTH-ZDUSSCGKSA-N 1 0 399.473 0.514 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000418022874 1189712118 /nfs/dbraw/zinc/71/21/18/1189712118.db2.gz RKWXMLIBCBKETG-OLZOCXBDSA-N 1 0 384.458 0.995 20 5 GCBDRO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418380299 1189772576 /nfs/dbraw/zinc/77/25/76/1189772576.db2.gz WTQMAQMCPAFQNK-CYBMUJFWSA-N 1 0 397.457 0.363 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046947008 1189774243 /nfs/dbraw/zinc/77/42/43/1189774243.db2.gz HUKNNKCOFNLQPD-GJZGRUSLSA-N 1 0 391.472 0.855 20 5 GCBDRO CC(C)([NH3+])CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418416281 1189780693 /nfs/dbraw/zinc/78/06/93/1189780693.db2.gz PXJGBLWFPGNZTQ-UHFFFAOYSA-N 1 0 399.473 0.567 20 5 GCBDRO [NH3+][C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418496972 1189802403 /nfs/dbraw/zinc/80/24/03/1189802403.db2.gz JBSDQHGWIVGYTA-HNNXBMFYSA-N 1 0 397.457 0.348 20 5 GCBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418532804 1189818418 /nfs/dbraw/zinc/81/84/18/1189818418.db2.gz UDRNCHCSIHZVES-LBPRGKRZSA-N 1 0 385.446 0.348 20 5 GCBDRO O=C1CN([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906905 1189820451 /nfs/dbraw/zinc/82/04/51/1189820451.db2.gz RMZGLNQQLDMKGD-DZGCQCFKSA-N 1 0 386.412 0.685 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000433141333 1193763893 /nfs/dbraw/zinc/76/38/93/1193763893.db2.gz NZSROWDJIXMKNR-OAHLLOKOSA-N 1 0 398.485 0.967 20 5 GCBDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000433141370 1193764114 /nfs/dbraw/zinc/76/41/14/1193764114.db2.gz OMKSJRIXEHPCLM-CQSZACIVSA-N 1 0 398.485 0.878 20 5 GCBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000433147151 1193765336 /nfs/dbraw/zinc/76/53/36/1193765336.db2.gz NONBLVWZWBDBFD-ZDUSSCGKSA-N 1 0 384.458 0.659 20 5 GCBDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1cnn(C)c1 ZINC000433270300 1193796046 /nfs/dbraw/zinc/79/60/46/1193796046.db2.gz KFXMXQJESMOVEV-XJKSGUPXSA-N 1 0 390.448 0.851 20 5 GCBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000513016438 1193826927 /nfs/dbraw/zinc/82/69/27/1193826927.db2.gz CXMBLGCASAAQEQ-UHFFFAOYSA-N 1 0 387.444 0.933 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348766 1193842426 /nfs/dbraw/zinc/84/24/26/1193842426.db2.gz LORXKPRICALBQU-TVQRCGJNSA-N 1 0 390.400 0.317 20 5 GCBDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000419353075 1193852036 /nfs/dbraw/zinc/85/20/36/1193852036.db2.gz JFZVOHZMKFVLQV-OAHLLOKOSA-N 1 0 392.412 0.985 20 5 GCBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419359767 1193860997 /nfs/dbraw/zinc/86/09/97/1193860997.db2.gz WEDMHCZTAJOCHS-CQSZACIVSA-N 1 0 388.428 0.982 20 5 GCBDRO O=C(CN1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265992699 1193917109 /nfs/dbraw/zinc/91/71/09/1193917109.db2.gz GPRZGHHIBXJBLP-ZDUSSCGKSA-N 1 0 392.412 0.916 20 5 GCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261733737 1193924432 /nfs/dbraw/zinc/92/44/32/1193924432.db2.gz CYJXLVPLKQAEIS-CYBMUJFWSA-N 1 0 376.335 0.926 20 5 GCBDRO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262413493 1193947502 /nfs/dbraw/zinc/94/75/02/1193947502.db2.gz YHAIIRFEZCCLQL-GLQYFDAESA-N 1 0 382.442 0.411 20 5 GCBDRO C[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000509932350 1193960056 /nfs/dbraw/zinc/96/00/56/1193960056.db2.gz WWEPLXLMDJFCDR-ZDUSSCGKSA-N 1 0 391.428 0.072 20 5 GCBDRO CC1CC[NH+](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000280693403 1194013407 /nfs/dbraw/zinc/01/34/07/1194013407.db2.gz DPRMSVUGFNEDTC-UHFFFAOYSA-N 1 0 384.458 0.721 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000280704120 1194014852 /nfs/dbraw/zinc/01/48/52/1194014852.db2.gz FVWUIOJGZQVBPS-UHFFFAOYSA-N 1 0 384.458 0.865 20 5 GCBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419845519 1194120324 /nfs/dbraw/zinc/12/03/24/1194120324.db2.gz PVCFZGJNYMVAGT-ZDUSSCGKSA-N 1 0 376.413 0.833 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)NCCC[NH2+]C)CC2)ccc1[N+](=O)[O-] ZINC000419853033 1194120774 /nfs/dbraw/zinc/12/07/74/1194120774.db2.gz RSTMENBPMIUIEP-UHFFFAOYSA-N 1 0 393.444 0.368 20 5 GCBDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000419871532 1194128333 /nfs/dbraw/zinc/12/83/33/1194128333.db2.gz KGLMDPIEIJWMCW-UHFFFAOYSA-N 1 0 393.444 0.368 20 5 GCBDRO C[NH2+]CCNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419876424 1194130263 /nfs/dbraw/zinc/13/02/63/1194130263.db2.gz PRHRMZYHARQDHR-UHFFFAOYSA-N 1 0 377.323 0.477 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CCC[NH2+]C1 ZINC000419879644 1194131236 /nfs/dbraw/zinc/13/12/36/1194131236.db2.gz GRSSRKVHGLMFFK-ZIAGYGMSSA-N 1 0 390.444 0.143 20 5 GCBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419878509 1194131374 /nfs/dbraw/zinc/13/13/74/1194131374.db2.gz JGCUMDIZOUBYNS-SNVBAGLBSA-N 1 0 389.334 0.620 20 5 GCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000419965446 1194148594 /nfs/dbraw/zinc/14/85/94/1194148594.db2.gz JTUJGVZFFUUBNL-HNNXBMFYSA-N 1 0 392.460 0.979 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000419991098 1194153506 /nfs/dbraw/zinc/15/35/06/1194153506.db2.gz KINPARYMLIWNMO-ZDUSSCGKSA-N 1 0 393.444 0.496 20 5 GCBDRO Cc1c(C(=O)NC[C@](C)(O)CC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000420032134 1194160857 /nfs/dbraw/zinc/16/08/57/1194160857.db2.gz FZNQKUKNIKSVHZ-QGZVFWFLSA-N 1 0 376.417 0.916 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044147 1194167667 /nfs/dbraw/zinc/16/76/67/1194167667.db2.gz SOSGSZQKJDTMPB-IAQYHMDHSA-N 1 0 392.412 0.414 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000420074563 1194173216 /nfs/dbraw/zinc/17/32/16/1194173216.db2.gz QRYZMEZEQKKKGM-CQSZACIVSA-N 1 0 390.444 0.272 20 5 GCBDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420103438 1194178572 /nfs/dbraw/zinc/17/85/72/1194178572.db2.gz RCIRVFLPSBCULW-UHFFFAOYSA-N 1 0 377.445 0.877 20 5 GCBDRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC[NH2+]C1 ZINC000420090795 1194182632 /nfs/dbraw/zinc/18/26/32/1194182632.db2.gz FGQZCTCYRILTLK-LJQANCHMSA-N 1 0 389.456 0.749 20 5 GCBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420131901 1194189827 /nfs/dbraw/zinc/18/98/27/1194189827.db2.gz XUJBRJDYOZDOPV-CQSZACIVSA-N 1 0 377.445 0.877 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420184753 1194198320 /nfs/dbraw/zinc/19/83/20/1194198320.db2.gz IUYHMDRRNAXHTO-OAHLLOKOSA-N 1 0 376.413 0.581 20 5 GCBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420217975 1194215008 /nfs/dbraw/zinc/21/50/08/1194215008.db2.gz XYIUXMODKVTCDB-KBPBESRZSA-N 1 0 375.429 0.487 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420217977 1194215221 /nfs/dbraw/zinc/21/52/21/1194215221.db2.gz XYIUXMODKVTCDB-KGLIPLIRSA-N 1 0 375.429 0.487 20 5 GCBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420267539 1194218668 /nfs/dbraw/zinc/21/86/68/1194218668.db2.gz GWSSKUVFYNCFLA-DGCLKSJQSA-N 1 0 379.417 0.202 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@]2(C)CCC(=O)N2)c([N+](=O)[O-])c1 ZINC000413332277 1194231783 /nfs/dbraw/zinc/23/17/83/1194231783.db2.gz CGKJJAOVXBDOPK-MRXNPFEDSA-N 1 0 399.473 0.515 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C)C1 ZINC000413483771 1194270842 /nfs/dbraw/zinc/27/08/42/1194270842.db2.gz BIFCCEVVYLRFDK-NSHDSACASA-N 1 0 390.400 0.717 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413808013 1194343666 /nfs/dbraw/zinc/34/36/66/1194343666.db2.gz HMLBCYCGWIAPMN-CQSZACIVSA-N 1 0 379.413 0.872 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+](C)C1 ZINC000413898608 1194356948 /nfs/dbraw/zinc/35/69/48/1194356948.db2.gz BPYICLFRIQMQTF-LBPRGKRZSA-N 1 0 381.385 0.545 20 5 GCBDRO CC[N@H+](CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000502813921 1194358258 /nfs/dbraw/zinc/35/82/58/1194358258.db2.gz PUANXIFRSZWUTJ-UHFFFAOYSA-N 1 0 376.417 0.934 20 5 GCBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502815927 1194359102 /nfs/dbraw/zinc/35/91/02/1194359102.db2.gz XKIZSBCXTMPRII-ZDUSSCGKSA-N 1 0 399.473 0.609 20 5 GCBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502815575 1194359223 /nfs/dbraw/zinc/35/92/23/1194359223.db2.gz VLRRIGROTCIMNR-ZDUSSCGKSA-N 1 0 399.473 0.609 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413916652 1194360625 /nfs/dbraw/zinc/36/06/25/1194360625.db2.gz JBRFGXUQZLTIPM-TZMCWYRMSA-N 1 0 392.412 0.276 20 5 GCBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421971323 1194375955 /nfs/dbraw/zinc/37/59/55/1194375955.db2.gz APJSXLUVMIVPIH-DOMZBBRYSA-N 1 0 384.458 0.529 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000422030743 1194378315 /nfs/dbraw/zinc/37/83/15/1194378315.db2.gz ZZPPRZXLAWLQFA-LBPRGKRZSA-N 1 0 399.473 0.597 20 5 GCBDRO C[C@H]1[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[N@@H+]1C ZINC000422425274 1194638052 /nfs/dbraw/zinc/63/80/52/1194638052.db2.gz MBNVJDGDZPUYLI-UONOGXRCSA-N 1 0 390.444 0.237 20 5 GCBDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422915355 1194707453 /nfs/dbraw/zinc/70/74/53/1194707453.db2.gz AXQGDICJTXPIQU-KGLIPLIRSA-N 1 0 396.469 0.816 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000422932824 1194709375 /nfs/dbraw/zinc/70/93/75/1194709375.db2.gz GXFYUWJOYPWMPT-INIZCTEOSA-N 1 0 396.469 0.774 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1C[NH3+] ZINC000422989945 1194713581 /nfs/dbraw/zinc/71/35/81/1194713581.db2.gz MQMFWOLIHPZTSX-GJZGRUSLSA-N 1 0 389.456 0.687 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422990290 1194713879 /nfs/dbraw/zinc/71/38/79/1194713879.db2.gz NEBGFLKWPXUNSV-GJZGRUSLSA-N 1 0 389.456 0.829 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994356 1194713905 /nfs/dbraw/zinc/71/39/05/1194713905.db2.gz VDHDXXCLMSGBSV-LSDHHAIUSA-N 1 0 387.440 0.311 20 5 GCBDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000423148017 1194731071 /nfs/dbraw/zinc/73/10/71/1194731071.db2.gz DUJDWZNZJDPTCL-UHFFFAOYSA-N 1 0 389.456 0.701 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@@H]1C[NH3+] ZINC000423150904 1194731580 /nfs/dbraw/zinc/73/15/80/1194731580.db2.gz JEOQYUZESODGTH-CABCVRRESA-N 1 0 389.456 0.687 20 5 GCBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000423153302 1194732007 /nfs/dbraw/zinc/73/20/07/1194732007.db2.gz NAIPSIKAQWDSFP-AWEZNQCLSA-N 1 0 389.456 0.829 20 5 GCBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423154662 1194732166 /nfs/dbraw/zinc/73/21/66/1194732166.db2.gz PGBZORUTIZTOKE-OAHLLOKOSA-N 1 0 389.456 0.701 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000423480445 1194758900 /nfs/dbraw/zinc/75/89/00/1194758900.db2.gz NHIPROSSBWXHMB-UHFFFAOYSA-N 1 0 379.417 0.059 20 5 GCBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423589671 1194766704 /nfs/dbraw/zinc/76/67/04/1194766704.db2.gz AMGLPPXEVCSNIB-CQSZACIVSA-N 1 0 375.429 0.454 20 5 GCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423582522 1194770779 /nfs/dbraw/zinc/77/07/79/1194770779.db2.gz GVUKNYBIPAONOX-KRWDZBQOSA-N 1 0 389.456 0.102 20 5 GCBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423593183 1194774655 /nfs/dbraw/zinc/77/46/55/1194774655.db2.gz MLILGEMQCDCDAE-CQSZACIVSA-N 1 0 392.460 0.470 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@@H](C)C[NH2+]1 ZINC000423624213 1194778206 /nfs/dbraw/zinc/77/82/06/1194778206.db2.gz CSXVHARSENYKFM-KGLIPLIRSA-N 1 0 375.429 0.452 20 5 GCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423624216 1194778302 /nfs/dbraw/zinc/77/83/02/1194778302.db2.gz CSXVHARSENYKFM-UONOGXRCSA-N 1 0 375.429 0.452 20 5 GCBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423627209 1194778668 /nfs/dbraw/zinc/77/86/68/1194778668.db2.gz HBPAXZGFTKHWSI-UONOGXRCSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423659639 1194780525 /nfs/dbraw/zinc/78/05/25/1194780525.db2.gz ZRMAIYMYRMKWIG-KGLIPLIRSA-N 1 0 375.429 0.439 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCO1 ZINC000423707016 1194786919 /nfs/dbraw/zinc/78/69/19/1194786919.db2.gz KDMOKKKGDPIDEM-WBVHZDCISA-N 1 0 390.440 0.877 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423702489 1194790482 /nfs/dbraw/zinc/79/04/82/1194790482.db2.gz YPKOBPDJRVBSPN-JSGCOSHPSA-N 1 0 378.433 0.683 20 5 GCBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423745044 1194791090 /nfs/dbraw/zinc/79/10/90/1194791090.db2.gz NIQWFRPCXDNTQB-KRWDZBQOSA-N 1 0 389.456 0.844 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H]1C[NH3+] ZINC000423746938 1194791469 /nfs/dbraw/zinc/79/14/69/1194791469.db2.gz YLPAMSBUZNJCAF-DZGCQCFKSA-N 1 0 390.444 0.224 20 5 GCBDRO C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424018353 1194799184 /nfs/dbraw/zinc/79/91/84/1194799184.db2.gz PYTZXZLVNFGBPF-QWHCGFSZSA-N 1 0 384.458 0.707 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424394372 1194809603 /nfs/dbraw/zinc/80/96/03/1194809603.db2.gz SPWXPNBNAYZKJA-QWHCGFSZSA-N 1 0 381.414 0.452 20 5 GCBDRO COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000434674318 1194859669 /nfs/dbraw/zinc/85/96/69/1194859669.db2.gz HMYRMELMRAQILY-ZDUSSCGKSA-N 1 0 393.444 0.636 20 5 GCBDRO C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000435092840 1194888971 /nfs/dbraw/zinc/88/89/71/1194888971.db2.gz AOTMSPGCONWQEM-QGZVFWFLSA-N 1 0 396.469 0.817 20 5 GCBDRO CNc1nc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000425304834 1194903491 /nfs/dbraw/zinc/90/34/91/1194903491.db2.gz HRQCGGWSFIELNK-CQSZACIVSA-N 1 0 376.417 0.456 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1=O ZINC000425320040 1194912951 /nfs/dbraw/zinc/91/29/51/1194912951.db2.gz QLZYABBVNAGHSP-CQSZACIVSA-N 1 0 394.428 0.512 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000436069628 1194983835 /nfs/dbraw/zinc/98/38/35/1194983835.db2.gz YTXCDJAGCJKJHM-INIZCTEOSA-N 1 0 389.456 0.803 20 5 GCBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000515866506 1195004772 /nfs/dbraw/zinc/00/47/72/1195004772.db2.gz HTTQCLNAQDDHQA-UHFFFAOYSA-N 1 0 386.412 0.793 20 5 GCBDRO C[NH+](C)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516376057 1195046129 /nfs/dbraw/zinc/04/61/29/1195046129.db2.gz SVNYHARHJJQYIX-HNNXBMFYSA-N 1 0 384.458 0.816 20 5 GCBDRO C[NH+](C)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516376058 1195046225 /nfs/dbraw/zinc/04/62/25/1195046225.db2.gz SVNYHARHJJQYIX-OAHLLOKOSA-N 1 0 384.458 0.816 20 5 GCBDRO COC[C@@]1(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000516644992 1195079241 /nfs/dbraw/zinc/07/92/41/1195079241.db2.gz WIBIMNILSIEKLJ-INIZCTEOSA-N 1 0 382.442 0.671 20 5 GCBDRO Cn1cc(C[C@@H](CO)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000516770832 1195093671 /nfs/dbraw/zinc/09/36/71/1195093671.db2.gz SVNUTCRGKXXZBK-CQSZACIVSA-N 1 0 382.442 0.543 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H]1C[NH3+] ZINC000516759617 1195094108 /nfs/dbraw/zinc/09/41/08/1195094108.db2.gz RHEXWUVZFKITLP-KBPBESRZSA-N 1 0 390.444 0.082 20 5 GCBDRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000517024934 1195125742 /nfs/dbraw/zinc/12/57/42/1195125742.db2.gz FQFVFRMNXLDNBN-UONOGXRCSA-N 1 0 389.412 0.772 20 5 GCBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000517030395 1195126314 /nfs/dbraw/zinc/12/63/14/1195126314.db2.gz UPKINVSPBDNJOC-DYVFJYSZSA-N 1 0 396.469 0.828 20 5 GCBDRO CC(C)(O)CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000517321224 1195171193 /nfs/dbraw/zinc/17/11/93/1195171193.db2.gz WWFNTQLWZHVFAJ-UHFFFAOYSA-N 1 0 396.469 0.701 20 5 GCBDRO COCC[NH+]1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000140338090 1195336061 /nfs/dbraw/zinc/33/60/61/1195336061.db2.gz WLPZBJRJGHOOPX-UHFFFAOYSA-N 1 0 392.460 0.932 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440362375 1195411386 /nfs/dbraw/zinc/41/13/86/1195411386.db2.gz FIJUTMGEVJKUNX-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO O=C(NC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262060056 1195481957 /nfs/dbraw/zinc/48/19/57/1195481957.db2.gz NUHUYESKEMNGHF-CJNGLKHVSA-N 1 0 396.469 0.864 20 5 GCBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000427334424 1195528627 /nfs/dbraw/zinc/52/86/27/1195528627.db2.gz ABWGSGSYBVCZMM-ZDUSSCGKSA-N 1 0 382.442 0.427 20 5 GCBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000441298505 1195619844 /nfs/dbraw/zinc/61/98/44/1195619844.db2.gz AIIQSMMOSUKWPD-GFCCVEGCSA-N 1 0 388.446 0.487 20 5 GCBDRO COCC[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000520412447 1195631636 /nfs/dbraw/zinc/63/16/36/1195631636.db2.gz AVLYCODQXPQEAO-UHFFFAOYSA-N 1 0 392.412 0.547 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000536340949 1195739133 /nfs/dbraw/zinc/73/91/33/1195739133.db2.gz JKFHNYOBGYXXSG-UHFFFAOYSA-N 1 0 391.384 0.606 20 5 GCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506240 1195777519 /nfs/dbraw/zinc/77/75/19/1195777519.db2.gz OVZDXSMOBVGTGG-JKSUJKDBSA-N 1 0 390.444 0.685 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000520535422 1195781972 /nfs/dbraw/zinc/78/19/72/1195781972.db2.gz HCCRPSNBZRZHGT-NSHDSACASA-N 1 0 378.385 0.641 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000441629191 1195801751 /nfs/dbraw/zinc/80/17/51/1195801751.db2.gz VXNFHSMSWXICKA-QWHCGFSZSA-N 1 0 384.458 0.707 20 5 GCBDRO C[NH+](C)CCN1C[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC000427979657 1195902430 /nfs/dbraw/zinc/90/24/30/1195902430.db2.gz PURXLOAHRWPJKK-CQSZACIVSA-N 1 0 376.413 0.726 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000520810271 1195923804 /nfs/dbraw/zinc/92/38/04/1195923804.db2.gz LHAUZUHDLOQBJH-APHBMKBZSA-N 1 0 396.469 0.849 20 5 GCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000520825053 1195924337 /nfs/dbraw/zinc/92/43/37/1195924337.db2.gz TXAIUFCNNDZPQU-ZDUSSCGKSA-N 1 0 384.458 0.721 20 5 GCBDRO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000441977516 1195935547 /nfs/dbraw/zinc/93/55/47/1195935547.db2.gz IPLJLJBJSDDUDJ-CYBMUJFWSA-N 1 0 391.428 0.545 20 5 GCBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000521355969 1195990045 /nfs/dbraw/zinc/99/00/45/1195990045.db2.gz ICUDUFSXZMOEFY-UHFFFAOYSA-N 1 0 380.449 0.943 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000442608356 1195997125 /nfs/dbraw/zinc/99/71/25/1195997125.db2.gz VLXKEGFJEBURCK-CYBMUJFWSA-N 1 0 384.458 0.851 20 5 GCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521499125 1195998746 /nfs/dbraw/zinc/99/87/46/1195998746.db2.gz XGFOFYLJTWQCHS-ZDUSSCGKSA-N 1 0 392.412 0.996 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000443296632 1196036896 /nfs/dbraw/zinc/03/68/96/1196036896.db2.gz QCUYIKMAWBGPOC-AWEZNQCLSA-N 1 0 387.458 0.975 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000474358830 1196111437 /nfs/dbraw/zinc/11/14/37/1196111437.db2.gz CHTTTXIVHRAPHU-UHFFFAOYSA-N 1 0 387.414 0.272 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000281011778 1196270580 /nfs/dbraw/zinc/27/05/80/1196270580.db2.gz FISLEJZWBWQHOO-UHFFFAOYSA-N 1 0 382.392 0.597 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000281008683 1196270595 /nfs/dbraw/zinc/27/05/95/1196270595.db2.gz FAHFCXGDLKDBNR-UHFFFAOYSA-N 1 0 378.429 0.766 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000281096998 1196275488 /nfs/dbraw/zinc/27/54/88/1196275488.db2.gz PSKINPNWGZZOAV-UHFFFAOYSA-N 1 0 394.428 0.466 20 5 GCBDRO COc1ccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281704154 1196323969 /nfs/dbraw/zinc/32/39/69/1196323969.db2.gz ALBTVHZIZAOFBR-UHFFFAOYSA-N 1 0 386.474 0.908 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418015035 1196444257 /nfs/dbraw/zinc/44/42/57/1196444257.db2.gz DAUOBKISLLWNMS-CHWSQXEVSA-N 1 0 382.442 0.619 20 5 GCBDRO C[C@@H]1CN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523481813 1196528126 /nfs/dbraw/zinc/52/81/26/1196528126.db2.gz MDTJKOIOMDUXBJ-CYBMUJFWSA-N 1 0 379.417 0.231 20 5 GCBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523987876 1196570264 /nfs/dbraw/zinc/57/02/64/1196570264.db2.gz MCHQUKHYPFLFRE-ZDUSSCGKSA-N 1 0 399.473 0.609 20 5 GCBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000546587458 1196575120 /nfs/dbraw/zinc/57/51/20/1196575120.db2.gz VXDBNEPBXZBIQP-QGZVFWFLSA-N 1 0 383.401 0.425 20 5 GCBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000546587457 1196575340 /nfs/dbraw/zinc/57/53/40/1196575340.db2.gz VXDBNEPBXZBIQP-KRWDZBQOSA-N 1 0 383.401 0.425 20 5 GCBDRO CO[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C[NH3+])C1 ZINC000440834946 1196586938 /nfs/dbraw/zinc/58/69/38/1196586938.db2.gz BFUREICIOSCANS-GHMZBOCLSA-N 1 0 387.414 0.493 20 5 GCBDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000428419280 1196592977 /nfs/dbraw/zinc/59/29/77/1196592977.db2.gz MGJUUQJSRHDBEW-BBRMVZONSA-N 1 0 396.469 0.958 20 5 GCBDRO CCOC(=O)c1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc([N+](=O)[O-])c1 ZINC000524607765 1196609830 /nfs/dbraw/zinc/60/98/30/1196609830.db2.gz SGDOKSKFGXIDJR-OAHLLOKOSA-N 1 0 392.412 0.841 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446360796 1196636794 /nfs/dbraw/zinc/63/67/94/1196636794.db2.gz VAFRRMYCNAQUCZ-BETUJISGSA-N 1 0 382.442 0.616 20 5 GCBDRO COC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000446750462 1196664606 /nfs/dbraw/zinc/66/46/06/1196664606.db2.gz GTLDSGBKPWECHM-INIZCTEOSA-N 1 0 387.458 0.904 20 5 GCBDRO CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000525523130 1196687918 /nfs/dbraw/zinc/68/79/18/1196687918.db2.gz RSIJQJVNVRSVNA-AWEZNQCLSA-N 1 0 384.458 0.768 20 5 GCBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194539 1196692133 /nfs/dbraw/zinc/69/21/33/1196692133.db2.gz ZCOUTBOSGBGVHJ-SMDDNHRTSA-N 1 0 383.430 0.493 20 5 GCBDRO CCN1CC[NH+](C[C@H](C)CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000525960519 1196730108 /nfs/dbraw/zinc/73/01/08/1196730108.db2.gz MCADDBLUHZCRGK-CYBMUJFWSA-N 1 0 385.490 0.928 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449714231 1196894620 /nfs/dbraw/zinc/89/46/20/1196894620.db2.gz BQDCCSIDZUXMFO-NSHDSACASA-N 1 0 377.323 0.790 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452383578 1197055368 /nfs/dbraw/zinc/05/53/68/1197055368.db2.gz PAHHZNXVISFSCS-CQSZACIVSA-N 1 0 379.413 0.872 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452383576 1197055388 /nfs/dbraw/zinc/05/53/88/1197055388.db2.gz PAHHZNXVISFSCS-AWEZNQCLSA-N 1 0 379.413 0.872 20 5 GCBDRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000520220213 1197091953 /nfs/dbraw/zinc/09/19/53/1197091953.db2.gz VGSDPTIMAUNUOR-KGLIPLIRSA-N 1 0 375.385 0.463 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)COC2CCOCC2)cc1 ZINC000520220743 1197092076 /nfs/dbraw/zinc/09/20/76/1197092076.db2.gz MMYHCIRDKFVNQG-CQSZACIVSA-N 1 0 388.442 0.515 20 5 GCBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000520312734 1197105385 /nfs/dbraw/zinc/10/53/85/1197105385.db2.gz PFYUEPITBFHPLI-CYBMUJFWSA-N 1 0 382.442 0.379 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000531976422 1197105732 /nfs/dbraw/zinc/10/57/32/1197105732.db2.gz ZCHNVVYRHMTGLV-ZDUSSCGKSA-N 1 0 390.396 0.702 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000520446382 1197139168 /nfs/dbraw/zinc/13/91/68/1197139168.db2.gz JLTXTWJIJPNICU-OAHLLOKOSA-N 1 0 392.456 0.947 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C)c([N+](=O)[O-])c1 ZINC000453915199 1197153009 /nfs/dbraw/zinc/15/30/09/1197153009.db2.gz JIJAQTPXCDYOLJ-XHDPSFHLSA-N 1 0 390.396 0.791 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000428529682 1197191965 /nfs/dbraw/zinc/19/19/65/1197191965.db2.gz BJQVGXAPRGXXKI-NSHDSACASA-N 1 0 385.446 0.242 20 5 GCBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000532636797 1197351018 /nfs/dbraw/zinc/35/10/18/1197351018.db2.gz ZOWWLINQLOSCJZ-UHFFFAOYSA-N 1 0 390.400 0.616 20 5 GCBDRO C[C@@H]1[C@H](C)N(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000536604993 1197375875 /nfs/dbraw/zinc/37/58/75/1197375875.db2.gz OPJVKXOVCLGIKX-OLZOCXBDSA-N 1 0 384.458 0.814 20 5 GCBDRO C[C@@H]1[C@H](C)N(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000536610236 1197378386 /nfs/dbraw/zinc/37/83/86/1197378386.db2.gz KBOWRGLEAOQAHQ-OLZOCXBDSA-N 1 0 384.458 0.766 20 5 GCBDRO Cc1nn(C)c(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000171286089 1197395621 /nfs/dbraw/zinc/39/56/21/1197395621.db2.gz ZHMJMUHFZPGVGW-UHFFFAOYSA-N 1 0 388.428 0.858 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429738935 1197404112 /nfs/dbraw/zinc/40/41/12/1197404112.db2.gz PVWCLGZAOONOKS-ZIAGYGMSSA-N 1 0 396.469 0.945 20 5 GCBDRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000429731533 1197404932 /nfs/dbraw/zinc/40/49/32/1197404932.db2.gz RQZXQRAZQASOPW-UHFFFAOYSA-N 1 0 396.469 0.947 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc3cnccn23)cc1 ZINC000533466528 1197453447 /nfs/dbraw/zinc/45/34/47/1197453447.db2.gz OUDOJXIGDRINNE-UHFFFAOYSA-N 1 0 376.398 0.706 20 5 GCBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428595692 1197550140 /nfs/dbraw/zinc/55/01/40/1197550140.db2.gz OGVWQWXBLQVOEJ-LBPRGKRZSA-N 1 0 386.412 0.755 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000419880593 1199350304 /nfs/dbraw/zinc/35/03/04/1199350304.db2.gz SOKAXHKKHGVVCK-UONOGXRCSA-N 1 0 375.429 0.630 20 5 GCBDRO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265819251 1199437438 /nfs/dbraw/zinc/43/74/38/1199437438.db2.gz OCRNAILUXKSMGC-AWEZNQCLSA-N 1 0 396.469 0.912 20 5 GCBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000543183609 1199564826 /nfs/dbraw/zinc/56/48/26/1199564826.db2.gz NWNOETNGNZJJPU-WMLDXEAASA-N 1 0 381.429 0.808 20 5 GCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922347600 1199737497 /nfs/dbraw/zinc/73/74/97/1199737497.db2.gz SGIYRWBQCJWZJO-MRXNPFEDSA-N 1 0 391.472 0.920 20 5 GCBDRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000330601201 1199858981 /nfs/dbraw/zinc/85/89/81/1199858981.db2.gz GGEPYEUXTLEKFL-OLZOCXBDSA-N 1 0 384.458 0.814 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428993659 1199876990 /nfs/dbraw/zinc/87/69/90/1199876990.db2.gz NYZHEEZAGLYYTO-OLZOCXBDSA-N 1 0 395.464 0.141 20 5 GCBDRO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429063447 1199905412 /nfs/dbraw/zinc/90/54/12/1199905412.db2.gz KVJRVRDIQMADIW-WFASDCNBSA-N 1 0 382.442 0.698 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])CC1 ZINC000429075371 1199911095 /nfs/dbraw/zinc/91/10/95/1199911095.db2.gz JTOWZLMITUFSLP-AWEZNQCLSA-N 1 0 375.429 0.684 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489828671 1199920785 /nfs/dbraw/zinc/92/07/85/1199920785.db2.gz PKPYRMDODUHNKX-ZFWWWQNUSA-N 1 0 377.445 0.910 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489828669 1199920965 /nfs/dbraw/zinc/92/09/65/1199920965.db2.gz PKPYRMDODUHNKX-HIFRSBDPSA-N 1 0 377.445 0.910 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000429130846 1199939523 /nfs/dbraw/zinc/93/95/23/1199939523.db2.gz ATRLPSUVSCHDFR-QWHCGFSZSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000429152617 1199956420 /nfs/dbraw/zinc/95/64/20/1199956420.db2.gz AVUDCLMPCNZCSZ-DOMZBBRYSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000429152619 1199956423 /nfs/dbraw/zinc/95/64/23/1199956423.db2.gz AVUDCLMPCNZCSZ-IUODEOHRSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000429186609 1200060852 /nfs/dbraw/zinc/06/08/52/1200060852.db2.gz HBFUHZMXQFCSIG-WQVCFCJDSA-N 1 0 396.469 0.944 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000429214251 1200149878 /nfs/dbraw/zinc/14/98/78/1200149878.db2.gz GPWHEOXAXCHMDK-ZDUSSCGKSA-N 1 0 384.458 0.769 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429231388 1200255662 /nfs/dbraw/zinc/25/56/62/1200255662.db2.gz GCORVSZEECOYSR-DOMZBBRYSA-N 1 0 384.458 0.720 20 5 GCBDRO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173451040 1200337872 /nfs/dbraw/zinc/33/78/72/1200337872.db2.gz IPSWREYFZCFIDE-INIZCTEOSA-N 1 0 379.392 0.930 20 5 GCBDRO 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COc1ccc(C(=O)NCC(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001179893143 1205815522 /nfs/dbraw/zinc/81/55/22/1205815522.db2.gz CKCMSTHGJWMHCI-AWEZNQCLSA-N 1 0 376.413 0.791 20 5 GCBDRO O=Cc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001180054461 1205817348 /nfs/dbraw/zinc/81/73/48/1205817348.db2.gz NUJJDUBNTWRHNV-GJZGRUSLSA-N 1 0 377.397 0.844 20 5 GCBDRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000774436524 1205872885 /nfs/dbraw/zinc/87/28/85/1205872885.db2.gz RFOIPQYQRMFJQG-UHFFFAOYSA-N 1 0 377.445 0.701 20 5 GCBDRO CN(CC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001187023995 1205953702 /nfs/dbraw/zinc/95/37/02/1205953702.db2.gz BGMKKZUUAZRSSF-UHFFFAOYSA-N 1 0 386.474 0.740 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001187824130 1205969468 /nfs/dbraw/zinc/96/94/68/1205969468.db2.gz OMJDOGDCXXDXGR-HUUCEWRRSA-N 1 0 398.485 0.881 20 5 GCBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])CC2 ZINC001164684752 719724252 /nfs/dbraw/zinc/72/42/52/719724252.db2.gz KHUDOHJLWRPXPD-UHFFFAOYSA-N 1 0 391.428 0.957 20 5 GCBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])CC2 ZINC001164692575 719755909 /nfs/dbraw/zinc/75/59/09/719755909.db2.gz VGFOWYSBZLEKOP-UHFFFAOYSA-N 1 0 391.428 0.957 20 5 GCBDRO COc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c([N+](=O)[O-])c1 ZINC001164794345 721512592 /nfs/dbraw/zinc/51/25/92/721512592.db2.gz ORSPKZSEZTZPEF-UHFFFAOYSA-N 1 0 387.444 0.963 20 5 GCBDRO COc1ncnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1[N+](=O)[O-] ZINC001164794148 721513731 /nfs/dbraw/zinc/51/37/31/721513731.db2.gz HTBSINOUJHQQOI-UHFFFAOYSA-N 1 0 388.432 0.358 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000578531924 530153725 /nfs/dbraw/zinc/15/37/25/530153725.db2.gz UHXVKRURKMQBNM-LLVKDONJSA-N 1 0 380.373 0.362 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261932087 530194766 /nfs/dbraw/zinc/19/47/66/530194766.db2.gz ZZVQFIARZDLWPP-LBPRGKRZSA-N 1 0 382.364 0.709 20 5 GCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599110484 530160003 /nfs/dbraw/zinc/16/00/03/530160003.db2.gz UDGRZDIQODUDAK-UHFFFAOYSA-N 1 0 382.236 0.953 20 5 GCBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000236626080 530244933 /nfs/dbraw/zinc/24/49/33/530244933.db2.gz NEGSLLQRZGHWSA-UHFFFAOYSA-N 1 0 393.263 0.541 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CC[S@](=O)C2)c([N+](=O)[O-])c1 ZINC000433438847 530212848 /nfs/dbraw/zinc/21/28/48/530212848.db2.gz FBSLCGVUETYDDV-BUBHHJDNSA-N 1 0 390.487 0.368 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000613012906 530271772 /nfs/dbraw/zinc/27/17/72/530271772.db2.gz URPZTNYSCNSARX-GFCCVEGCSA-N 1 0 394.247 0.702 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000614551116 530309903 /nfs/dbraw/zinc/30/99/03/530309903.db2.gz YRVNLKDTRYBEKV-ZANVPECISA-N 1 0 377.394 0.740 20 5 GCBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564079021 530350350 /nfs/dbraw/zinc/35/03/50/530350350.db2.gz ZDHOJFMFKDDCGE-NSHDSACASA-N 1 0 379.460 0.286 20 5 GCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000184337614 530499373 /nfs/dbraw/zinc/49/93/73/530499373.db2.gz JLVOLEVEEKJCDB-UHFFFAOYSA-N 1 0 396.263 0.950 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)c(Br)c1 ZINC000440351612 530687175 /nfs/dbraw/zinc/68/71/75/530687175.db2.gz SOZHUZLORXHVQG-UHFFFAOYSA-N 1 0 393.263 0.541 20 5 GCBDRO O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1)N1CC[NH2+]CC1 ZINC000440342635 530687277 /nfs/dbraw/zinc/68/72/77/530687277.db2.gz RXQBCQRBXJCLJK-NSHDSACASA-N 1 0 388.471 0.489 20 5 GCBDRO C[C@H](C[S@@](C)=O)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000273098262 530801219 /nfs/dbraw/zinc/80/12/19/530801219.db2.gz DUFRBINPSSDTDA-YDGUKXNOSA-N 1 0 392.503 0.614 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H](CO)CCF)c([N+](=O)[O-])c1 ZINC000593510706 530813566 /nfs/dbraw/zinc/81/35/66/530813566.db2.gz WTRHWXJLDRNBDB-LLVKDONJSA-N 1 0 378.426 0.567 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCC[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000524197801 530865015 /nfs/dbraw/zinc/86/50/15/530865015.db2.gz YPCRCPZHRDBMGD-XMMPIXPASA-N 1 0 392.503 0.615 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCC[S@](C)=O)c([N+](=O)[O-])c1 ZINC000524197800 530865274 /nfs/dbraw/zinc/86/52/74/530865274.db2.gz YPCRCPZHRDBMGD-DEOSSOPVSA-N 1 0 392.503 0.615 20 5 GCBDRO [NH3+]C[C@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524285 530867911 /nfs/dbraw/zinc/86/79/11/530867911.db2.gz HYFBUUGZQNGXCI-JTQLQIEISA-N 1 0 384.336 0.557 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000276401109 530911550 /nfs/dbraw/zinc/91/15/50/530911550.db2.gz AGJWNJHRNQNRMK-UHFFFAOYSA-N 1 0 376.410 0.268 20 5 GCBDRO CSCC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262091064 530955426 /nfs/dbraw/zinc/95/54/26/530955426.db2.gz AAUOTMMWGUYLFV-LBPRGKRZSA-N 1 0 376.460 0.070 20 5 GCBDRO CSCC[C@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262297101 530975287 /nfs/dbraw/zinc/97/52/87/530975287.db2.gz JHFUEAPTOIDFFY-NSHDSACASA-N 1 0 390.487 0.607 20 5 GCBDRO C[NH+](C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000576169810 530990202 /nfs/dbraw/zinc/99/02/02/530990202.db2.gz SNCYUVGRQJIVCS-STQMWFEESA-N 1 0 387.234 0.903 20 5 GCBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736570018 598498932 /nfs/dbraw/zinc/49/89/32/598498932.db2.gz MUIHDEXZGCWRBF-LBPRGKRZSA-N 1 0 375.437 0.855 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000823651481 599308225 /nfs/dbraw/zinc/30/82/25/599308225.db2.gz LMCFVMYWHGITCZ-CQSZACIVSA-N 1 0 399.415 0.155 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826389626 608436168 /nfs/dbraw/zinc/43/61/68/608436168.db2.gz CQKAPXVLHSATGO-ZDUSSCGKSA-N 1 0 387.404 0.088 20 5 GCBDRO CCOC(=O)c1cc(S(=O)(=O)NCC(F)(F)CN)cc([N+](=O)[O-])c1C ZINC000262495363 638522819 /nfs/dbraw/zinc/52/28/19/638522819.db2.gz ZEVKXIDPDYKUPU-UHFFFAOYSA-N 1 0 381.357 0.952 20 5 GCBDRO CS(=O)(=O)N1CCN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892937489 638601943 /nfs/dbraw/zinc/60/19/43/638601943.db2.gz TWJIBRCAMVVVSL-UHFFFAOYSA-N 1 0 376.866 0.915 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1I ZINC000701034557 640123248 /nfs/dbraw/zinc/12/32/48/640123248.db2.gz MRPCNZBSNOSFIV-VIFPVBQESA-N 1 0 391.165 0.918 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000762556810 640610113 /nfs/dbraw/zinc/61/01/13/640610113.db2.gz WEGJSWMXWSLABI-LBPRGKRZSA-N 1 0 394.247 0.702 20 5 GCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000716749329 641628865 /nfs/dbraw/zinc/62/88/65/641628865.db2.gz HIAVGRVMICHPAJ-MRVPVSSYSA-N 1 0 393.181 0.852 20 5 GCBDRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810347250 641725851 /nfs/dbraw/zinc/72/58/51/641725851.db2.gz XJTYCBDILDMHIB-SECBINFHSA-N 1 0 389.206 0.335 20 5 GCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193362698 642058375 /nfs/dbraw/zinc/05/83/75/642058375.db2.gz HFFATGXUFNBXJX-UHFFFAOYSA-N 1 0 382.236 0.872 20 5 GCBDRO C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841228609 642291998 /nfs/dbraw/zinc/29/19/98/642291998.db2.gz FSYHKWLQHYNJDQ-ZCFIWIBFSA-N 1 0 392.153 0.601 20 5 GCBDRO O=C(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH2+]CC1 ZINC000843316665 642367223 /nfs/dbraw/zinc/36/72/23/642367223.db2.gz YUTUTADUHYDEQK-UHFFFAOYSA-N 1 0 389.181 0.658 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000844226190 642398213 /nfs/dbraw/zinc/39/82/13/642398213.db2.gz FAGCHGXFPVHLRU-VIFPVBQESA-N 1 0 393.263 0.621 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCS(=O)(=O)CC1 ZINC000463118988 677372172 /nfs/dbraw/zinc/37/21/72/677372172.db2.gz MEBHQGHERYHSGR-UHFFFAOYSA-N 1 0 377.444 0.040 20 5 GCBDRO C[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000147045452 1192173668 /nfs/dbraw/zinc/17/36/68/1192173668.db2.gz RIUIITYZIYYBNR-CYBMUJFWSA-N 1 0 384.458 0.864 20 5 GCBDRO CC[NH+]1CCN(CCNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000112918113 1192208783 /nfs/dbraw/zinc/20/87/83/1192208783.db2.gz OTGAXODJKDDGGC-UHFFFAOYSA-N 1 0 387.444 0.851 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1 ZINC000585718770 1192397388 /nfs/dbraw/zinc/39/73/88/1192397388.db2.gz XMHZTODFECCOFE-QZTJIDSGSA-N 1 0 376.413 0.806 20 5 GCBDRO C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000512142037 1192472282 /nfs/dbraw/zinc/47/22/82/1192472282.db2.gz GJHXVXSGJZJWBC-ZDUSSCGKSA-N 1 0 396.469 0.982 20 5 GCBDRO C[NH+](C)CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000279670704 1192574227 /nfs/dbraw/zinc/57/42/27/1192574227.db2.gz DKNFQNKXMHVRBH-OAHLLOKOSA-N 1 0 399.469 0.941 20 5 GCBDRO C[NH+](C)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000067044944 1192631297 /nfs/dbraw/zinc/63/12/97/1192631297.db2.gz ILDPDAJVELHDKD-CQSZACIVSA-N 1 0 384.458 0.816 20 5 GCBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418732664 1192636618 /nfs/dbraw/zinc/63/66/18/1192636618.db2.gz QZQGFNSUCUQUIK-GFCCVEGCSA-N 1 0 385.446 0.348 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512395371 1192645067 /nfs/dbraw/zinc/64/50/67/1192645067.db2.gz UCIVRLSTFHCSOG-CYBMUJFWSA-N 1 0 392.412 0.283 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512389586 1192643202 /nfs/dbraw/zinc/64/32/02/1192643202.db2.gz OGCPKQHTLMVWRI-KBPBESRZSA-N 1 0 382.465 0.790 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418792596 1192645888 /nfs/dbraw/zinc/64/58/88/1192645888.db2.gz OTIWBLAFKSVCNC-CQSZACIVSA-N 1 0 391.428 0.441 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000418798110 1192647775 /nfs/dbraw/zinc/64/77/75/1192647775.db2.gz AVGVAWPPXXXBBN-ZDUSSCGKSA-N 1 0 384.820 0.483 20 5 GCBDRO CO[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000418820537 1192658435 /nfs/dbraw/zinc/65/84/35/1192658435.db2.gz WBIWHJNDBPOIAE-ZIAGYGMSSA-N 1 0 398.847 0.872 20 5 GCBDRO COC[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCC[NH2+]1 ZINC000584833733 1192672934 /nfs/dbraw/zinc/67/29/34/1192672934.db2.gz NKPHDCLVYIDCFN-SFHVURJKSA-N 1 0 378.429 0.930 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418920778 1192691704 /nfs/dbraw/zinc/69/17/04/1192691704.db2.gz BVRHNLSHTYOYDK-CQDKDKBSSA-N 1 0 376.413 0.805 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000418933665 1192694188 /nfs/dbraw/zinc/69/41/88/1192694188.db2.gz ISVCPGNBIYHDHK-ZYHUDNBSSA-N 1 0 380.401 0.449 20 5 GCBDRO COc1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000262553948 1192716107 /nfs/dbraw/zinc/71/61/07/1192716107.db2.gz VITMMLHERSZNPB-NSHDSACASA-N 1 0 380.401 0.539 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000419028712 1192730102 /nfs/dbraw/zinc/73/01/02/1192730102.db2.gz RKPPQZDLOUNOPK-VXGBXAGGSA-N 1 0 394.428 0.480 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419150600 1192810806 /nfs/dbraw/zinc/81/08/06/1192810806.db2.gz MNXLBXDBFHLTGR-STQMWFEESA-N 1 0 391.428 0.086 20 5 GCBDRO CO[C@@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000419162158 1192821124 /nfs/dbraw/zinc/82/11/24/1192821124.db2.gz GGOXNUZYNHCQDD-CHWSQXEVSA-N 1 0 384.820 0.829 20 5 GCBDRO CO[C@H]1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000419162160 1192821153 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CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472571309 1187800713 /nfs/dbraw/zinc/80/07/13/1187800713.db2.gz PFTHLCXMPJTABN-UHFFFAOYSA-N 1 0 381.408 0.816 20 5 GCBDRO O=c1[nH]c(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000376393618 1187807994 /nfs/dbraw/zinc/80/79/94/1187807994.db2.gz BZQRBCZHNXKPCU-UHFFFAOYSA-N 1 0 389.412 0.907 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472613357 1187906408 /nfs/dbraw/zinc/90/64/08/1187906408.db2.gz NOJAFAMSDMEZRE-NSHDSACASA-N 1 0 395.391 0.376 20 5 GCBDRO COC(=O)COc1ccc(CN2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000414483295 1187978230 /nfs/dbraw/zinc/97/82/30/1187978230.db2.gz FDALVFLUMVWYGW-CQSZACIVSA-N 1 0 395.412 0.683 20 5 GCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415335691 1188051297 /nfs/dbraw/zinc/05/12/97/1188051297.db2.gz SGHAVGAFKDSVOR-ZDUSSCGKSA-N 1 0 389.412 0.204 20 5 GCBDRO 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COc1cc(CCNC(=O)NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])cc1OC ZINC000416900436 1189591914 /nfs/dbraw/zinc/59/19/14/1189591914.db2.gz IRUOKDKOXPJQMN-CYBMUJFWSA-N 1 0 381.433 0.357 20 5 GCBDRO COc1cc(CCNC(=O)NCCCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000416914994 1189593627 /nfs/dbraw/zinc/59/36/27/1189593627.db2.gz HEWFJSGUDURPCC-UHFFFAOYSA-N 1 0 395.460 0.749 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417265226 1189636836 /nfs/dbraw/zinc/63/68/36/1189636836.db2.gz AUHIBHVLPYPBLO-INIZCTEOSA-N 1 0 397.457 0.268 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417276226 1189637886 /nfs/dbraw/zinc/63/78/86/1189637886.db2.gz DSVNLTZPVMXCJP-ZDUSSCGKSA-N 1 0 399.473 0.514 20 5 GCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000417277138 1189637992 /nfs/dbraw/zinc/63/79/92/1189637992.db2.gz FSAMCFKCSLBLFL-STQMWFEESA-N 1 0 399.473 0.560 20 5 GCBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417277144 1189638211 /nfs/dbraw/zinc/63/82/11/1189638211.db2.gz FUMZKBSZBNCRKA-NWDGAFQWSA-N 1 0 385.446 0.300 20 5 GCBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417276223 1189638244 /nfs/dbraw/zinc/63/82/44/1189638244.db2.gz DSVNLTZPVMXCJP-CYBMUJFWSA-N 1 0 399.473 0.514 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266059 1189638676 /nfs/dbraw/zinc/63/86/76/1189638676.db2.gz BPIMJARDKFXIJG-RYUDHWBXSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266058 1189638836 /nfs/dbraw/zinc/63/88/36/1189638836.db2.gz BPIMJARDKFXIJG-NWDGAFQWSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266122 1189638837 /nfs/dbraw/zinc/63/88/37/1189638837.db2.gz BVPCTRZMZRIPGM-QWHCGFSZSA-N 1 0 399.473 0.642 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417264788 1189638843 /nfs/dbraw/zinc/63/88/43/1189638843.db2.gz ADORAEXGSSGMOK-CHWSQXEVSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000417288576 1189640343 /nfs/dbraw/zinc/64/03/43/1189640343.db2.gz YPDIXVCKDXXGOW-ZDUSSCGKSA-N 1 0 399.473 0.562 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000417301199 1189641563 /nfs/dbraw/zinc/64/15/63/1189641563.db2.gz ADPKMFZTSXJGST-SMDDNHRTSA-N 1 0 385.446 0.252 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307026 1189644031 /nfs/dbraw/zinc/64/40/31/1189644031.db2.gz DHXIVNVNHVAIHL-DOMZBBRYSA-N 1 0 399.473 0.690 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417321628 1189647040 /nfs/dbraw/zinc/64/70/40/1189647040.db2.gz LROXPYYYOQPNQY-CYBMUJFWSA-N 1 0 399.473 0.644 20 5 GCBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417326267 1189647639 /nfs/dbraw/zinc/64/76/39/1189647639.db2.gz ROIOPTZFJOQAFR-NWDGAFQWSA-N 1 0 385.446 0.300 20 5 GCBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417333785 1189648176 /nfs/dbraw/zinc/64/81/76/1189648176.db2.gz ZDGGDPLYVRFUIV-FZMZJTMJSA-N 1 0 385.446 0.170 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417332779 1189648544 /nfs/dbraw/zinc/64/85/44/1189648544.db2.gz XTVYIFILQYFIEY-MRXNPFEDSA-N 1 0 397.457 0.268 20 5 GCBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337800 1189649328 /nfs/dbraw/zinc/64/93/28/1189649328.db2.gz JDWTXCNHACCYQI-LBPRGKRZSA-N 1 0 387.462 0.690 20 5 GCBDRO CN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417343278 1189650643 /nfs/dbraw/zinc/65/06/43/1189650643.db2.gz QHNTUKVLJHMBAO-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000417675083 1189695227 /nfs/dbraw/zinc/69/52/27/1189695227.db2.gz BKWBGXISWRDORT-ZDUSSCGKSA-N 1 0 399.473 0.690 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417677648 1189695955 /nfs/dbraw/zinc/69/59/55/1189695955.db2.gz HZWBLRAERYIBIX-ZDUSSCGKSA-N 1 0 399.473 0.644 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417685557 1189696194 /nfs/dbraw/zinc/69/61/94/1189696194.db2.gz YNFBIIQHBHQBKA-OLZOCXBDSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689271 1189696597 /nfs/dbraw/zinc/69/65/97/1189696597.db2.gz FYJWIGHAYHEVQU-NWDGAFQWSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689414 1189696669 /nfs/dbraw/zinc/69/66/69/1189696669.db2.gz GELXBKHFLJHIJJ-VXGBXAGGSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690110 1189696691 /nfs/dbraw/zinc/69/66/91/1189696691.db2.gz HEYLPRXTBKDLKO-OLZOCXBDSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@H]([NH3+])C1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000417706251 1189698611 /nfs/dbraw/zinc/69/86/11/1189698611.db2.gz VPVWXSNKWNCWQG-LBPRGKRZSA-N 1 0 399.473 0.642 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417709122 1189698755 /nfs/dbraw/zinc/69/87/55/1189698755.db2.gz ZNESLZSIYBULOP-LBPRGKRZSA-N 1 0 385.446 0.267 20 5 GCBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417709121 1189698994 /nfs/dbraw/zinc/69/89/94/1189698994.db2.gz ZNESLZSIYBULOP-GFCCVEGCSA-N 1 0 385.446 0.267 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418026045 1189712860 /nfs/dbraw/zinc/71/28/60/1189712860.db2.gz VNWCEGPXMVBFKK-OLZOCXBDSA-N 1 0 382.442 0.619 20 5 GCBDRO COCC[NH+](CCOC)C1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000557117854 1189747458 /nfs/dbraw/zinc/74/74/58/1189747458.db2.gz JFABCSVVLRYLJF-UHFFFAOYSA-N 1 0 383.449 0.686 20 5 GCBDRO O=C(NC1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418310297 1189755394 /nfs/dbraw/zinc/75/53/94/1189755394.db2.gz OYKANERGDJZFGZ-UHFFFAOYSA-N 1 0 397.457 0.363 20 5 GCBDRO C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000418320546 1189758520 /nfs/dbraw/zinc/75/85/20/1189758520.db2.gz VDGKOQLIYSPUIZ-UHFFFAOYSA-N 1 0 385.446 0.139 20 5 GCBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418382515 1189771507 /nfs/dbraw/zinc/77/15/07/1189771507.db2.gz MDWPPWILDAPJLT-CYBMUJFWSA-N 1 0 397.457 0.363 20 5 GCBDRO [NH3+]C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418397343 1189776352 /nfs/dbraw/zinc/77/63/52/1189776352.db2.gz JASFJNJKEIUZEP-HNNXBMFYSA-N 1 0 397.457 0.348 20 5 GCBDRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418486504 1189800699 /nfs/dbraw/zinc/80/06/99/1189800699.db2.gz GAQYDESULCCVHM-UHFFFAOYSA-N 1 0 399.473 0.610 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418514554 1189808981 /nfs/dbraw/zinc/80/89/81/1189808981.db2.gz UZBHZRDZIDWFIO-UHFFFAOYSA-N 1 0 399.473 0.658 20 5 GCBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418532803 1189818389 /nfs/dbraw/zinc/81/83/89/1189818389.db2.gz UDRNCHCSIHZVES-GFCCVEGCSA-N 1 0 385.446 0.348 20 5 GCBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124807351 1189917051 /nfs/dbraw/zinc/91/70/51/1189917051.db2.gz WHVNPTIOCOEJOF-HOTGVXAUSA-N 1 0 393.492 0.982 20 5 GCBDRO CO[C@@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000419348405 1193844325 /nfs/dbraw/zinc/84/43/25/1193844325.db2.gz LGYHKTBGMWZUNX-DLBZAZTESA-N 1 0 392.456 0.998 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280271610 1193982883 /nfs/dbraw/zinc/98/28/83/1193982883.db2.gz PLBUHKKUNFGIEB-UHFFFAOYSA-N 1 0 397.457 0.422 20 5 GCBDRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000280519948 1194003217 /nfs/dbraw/zinc/00/32/17/1194003217.db2.gz DUUDMDLEETXGFF-SFHVURJKSA-N 1 0 375.429 0.441 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000419456106 1194032932 /nfs/dbraw/zinc/03/29/32/1194032932.db2.gz RQVUYPOUKUZZAT-UHFFFAOYSA-N 1 0 375.429 0.857 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000419457245 1194034101 /nfs/dbraw/zinc/03/41/01/1194034101.db2.gz VNIORKKUPYJGIG-LSDHHAIUSA-N 1 0 389.456 0.889 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[N@H+](C)C1 ZINC000413157240 1194086262 /nfs/dbraw/zinc/08/62/62/1194086262.db2.gz PTFJYQDOLRAACQ-CYBMUJFWSA-N 1 0 380.401 0.850 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000419873428 1194129006 /nfs/dbraw/zinc/12/90/06/1194129006.db2.gz MPMOMCWGQGURTJ-STQMWFEESA-N 1 0 376.417 0.025 20 5 GCBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419916645 1194138670 /nfs/dbraw/zinc/13/86/70/1194138670.db2.gz QZJXNIVGWYCUBU-CQSZACIVSA-N 1 0 375.429 0.359 20 5 GCBDRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419927750 1194140339 /nfs/dbraw/zinc/14/03/39/1194140339.db2.gz KGYWWRQTXGAYDT-UHFFFAOYSA-N 1 0 397.457 0.057 20 5 GCBDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419981066 1194151963 /nfs/dbraw/zinc/15/19/63/1194151963.db2.gz RPTPERSFKMZTOG-CQSZACIVSA-N 1 0 390.444 0.144 20 5 GCBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419983929 1194152578 /nfs/dbraw/zinc/15/25/78/1194152578.db2.gz XAHCOWBEKIENGJ-CQSZACIVSA-N 1 0 377.445 0.733 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420011132 1194157663 /nfs/dbraw/zinc/15/76/63/1194157663.db2.gz GGMDYDVPOXEHMH-ZIAGYGMSSA-N 1 0 390.444 0.272 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025392 1194158895 /nfs/dbraw/zinc/15/88/95/1194158895.db2.gz BPADHTKCYCYPLH-ABAIWWIYSA-N 1 0 376.413 0.709 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420015940 1194162779 /nfs/dbraw/zinc/16/27/79/1194162779.db2.gz MADKVXQAUJQHAW-LRDDRELGSA-N 1 0 376.413 0.818 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000420061280 1194164371 /nfs/dbraw/zinc/16/43/71/1194164371.db2.gz LGAPVCLIJRJTBW-MRXNPFEDSA-N 1 0 376.413 0.818 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420073788 1194173187 /nfs/dbraw/zinc/17/31/87/1194173187.db2.gz YULJQBNWPYTTED-YOEHRIQHSA-N 1 0 389.456 0.877 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000420076744 1194173695 /nfs/dbraw/zinc/17/36/95/1194173695.db2.gz XBZDKZTZQNGBRQ-CQSZACIVSA-N 1 0 378.433 0.589 20 5 GCBDRO [NH3+]C1(CNC(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000420092562 1194183186 /nfs/dbraw/zinc/18/31/86/1194183186.db2.gz OIMHIGXCJYGYRY-UHFFFAOYSA-N 1 0 376.413 0.962 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420218475 1194214655 /nfs/dbraw/zinc/21/46/55/1194214655.db2.gz XYIUXMODKVTCDB-ZIAGYGMSSA-N 1 0 375.429 0.487 20 5 GCBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000366579061 1194221930 /nfs/dbraw/zinc/22/19/30/1194221930.db2.gz WNFIEJWLMKXGMN-VNHYZAJKSA-N 1 0 381.433 0.951 20 5 GCBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000420348392 1194222726 /nfs/dbraw/zinc/22/27/26/1194222726.db2.gz LFYANAJRKVOPGH-CQSZACIVSA-N 1 0 377.445 0.912 20 5 GCBDRO COC(=O)c1cnc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000413477268 1194267167 /nfs/dbraw/zinc/26/71/67/1194267167.db2.gz GNGFCYVBCZUWQX-UHFFFAOYSA-N 1 0 393.444 0.985 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCO[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000413468231 1194267250 /nfs/dbraw/zinc/26/72/50/1194267250.db2.gz BQWUQWHHVWORDK-GFCCVEGCSA-N 1 0 390.437 0.609 20 5 GCBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCNC(=O)CC1 ZINC000420969105 1194279084 /nfs/dbraw/zinc/27/90/84/1194279084.db2.gz AYFGGFXCONBXLV-ZDUSSCGKSA-N 1 0 384.458 0.721 20 5 GCBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972718 1194279935 /nfs/dbraw/zinc/27/99/35/1194279935.db2.gz LALCNMAEWCCGMR-CQSZACIVSA-N 1 0 386.474 0.526 20 5 GCBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cn1cccn1 ZINC000421034460 1194283903 /nfs/dbraw/zinc/28/39/03/1194283903.db2.gz YJYIUCKSMROFNC-CQSZACIVSA-N 1 0 383.430 0.063 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1[N+](=O)[O-] ZINC000421394938 1194334483 /nfs/dbraw/zinc/33/44/83/1194334483.db2.gz HPAKXIZNTVMNHC-GFCCVEGCSA-N 1 0 376.373 0.628 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000421705564 1194357895 /nfs/dbraw/zinc/35/78/95/1194357895.db2.gz RQVADPJRDDFGJZ-AWEZNQCLSA-N 1 0 384.458 0.768 20 5 GCBDRO CC[N@H+](CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000421977286 1194375258 /nfs/dbraw/zinc/37/52/58/1194375258.db2.gz GBDVNNAHXFIDJU-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422157309 1194402484 /nfs/dbraw/zinc/40/24/84/1194402484.db2.gz LKZOMDCXYMCOQD-AWEZNQCLSA-N 1 0 399.473 0.609 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422157311 1194402638 /nfs/dbraw/zinc/40/26/38/1194402638.db2.gz LKZOMDCXYMCOQD-CQSZACIVSA-N 1 0 399.473 0.609 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422225362 1194591432 /nfs/dbraw/zinc/59/14/32/1194591432.db2.gz GTBYVUUYXCUKAU-ZDUSSCGKSA-N 1 0 399.473 0.609 20 5 GCBDRO C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[N@H+](C)C1CC1 ZINC000422305161 1194610927 /nfs/dbraw/zinc/61/09/27/1194610927.db2.gz JPAVNLYIYVFTIV-CYBMUJFWSA-N 1 0 390.444 0.237 20 5 GCBDRO C[C@H]1[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[N@@H+]1C ZINC000422425272 1194637877 /nfs/dbraw/zinc/63/78/77/1194637877.db2.gz MBNVJDGDZPUYLI-KBPBESRZSA-N 1 0 390.444 0.237 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000503510459 1194680406 /nfs/dbraw/zinc/68/04/06/1194680406.db2.gz ZUBMCVTVIFWHAS-OAHLLOKOSA-N 1 0 398.485 0.644 20 5 GCBDRO O=C(N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000422917786 1194710392 /nfs/dbraw/zinc/71/03/92/1194710392.db2.gz GZOLTUAWHBCZTG-WBMJQRKESA-N 1 0 380.426 0.180 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422994535 1194713675 /nfs/dbraw/zinc/71/36/75/1194713675.db2.gz VNLYWFDPGGPCOJ-KGLIPLIRSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422986841 1194716026 /nfs/dbraw/zinc/71/60/26/1194716026.db2.gz DLAUOXPYNDFUQN-GOSISDBHSA-N 1 0 375.429 0.441 20 5 GCBDRO COC[C@@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]C1 ZINC000423040825 1194721187 /nfs/dbraw/zinc/72/11/87/1194721187.db2.gz IBDSZZMNNISSLV-MRXNPFEDSA-N 1 0 382.442 0.567 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCO1 ZINC000423095139 1194726859 /nfs/dbraw/zinc/72/68/59/1194726859.db2.gz DITZQAVKUSSFDO-INIZCTEOSA-N 1 0 376.413 0.662 20 5 GCBDRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423150545 1194731085 /nfs/dbraw/zinc/73/10/85/1194731085.db2.gz IYMDLFLMODYHJP-GASCZTMLSA-N 1 0 387.440 0.596 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)[NH2+]1 ZINC000423147588 1194731305 /nfs/dbraw/zinc/73/13/05/1194731305.db2.gz DANXBBYZELHOEW-KBPBESRZSA-N 1 0 375.429 0.452 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC000423466972 1194758529 /nfs/dbraw/zinc/75/85/29/1194758529.db2.gz AXBKWTNYJACDOA-ZDUSSCGKSA-N 1 0 391.428 0.202 20 5 GCBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000423583344 1194771042 /nfs/dbraw/zinc/77/10/42/1194771042.db2.gz YYXKHTIYLBXJAC-LBPRGKRZSA-N 1 0 376.413 0.770 20 5 GCBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423584337 1194771059 /nfs/dbraw/zinc/77/10/59/1194771059.db2.gz DHTZYBFARKQJMO-CQSZACIVSA-N 1 0 390.444 0.096 20 5 GCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423627203 1194778671 /nfs/dbraw/zinc/77/86/71/1194778671.db2.gz HBPAXZGFTKHWSI-KBPBESRZSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423679986 1194785152 /nfs/dbraw/zinc/78/51/52/1194785152.db2.gz DUEWROIVHWMAAK-ZIAGYGMSSA-N 1 0 390.444 0.367 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423686883 1194785916 /nfs/dbraw/zinc/78/59/16/1194785916.db2.gz URQHQLZWHZROIQ-WMLDXEAASA-N 1 0 389.456 0.972 20 5 GCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423715918 1194787844 /nfs/dbraw/zinc/78/78/44/1194787844.db2.gz HYYQRPLYJCUKDS-CQSZACIVSA-N 1 0 390.444 0.239 20 5 GCBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423713268 1194787935 /nfs/dbraw/zinc/78/79/35/1194787935.db2.gz FBCCXVAZICNBDR-AWEZNQCLSA-N 1 0 378.433 0.555 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424019151 1194799342 /nfs/dbraw/zinc/79/93/42/1194799342.db2.gz RDPWRYHSAMQBCJ-VXGBXAGGSA-N 1 0 399.473 0.488 20 5 GCBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000424072024 1194800972 /nfs/dbraw/zinc/80/09/72/1194800972.db2.gz LEFBDHKJNDXBHH-FOGDFJRCSA-N 1 0 384.458 0.996 20 5 GCBDRO Cn1cnnc1Sc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000504854115 1194808612 /nfs/dbraw/zinc/80/86/12/1194808612.db2.gz WWKMELWLDVRLSM-MRXNPFEDSA-N 1 0 394.457 0.917 20 5 GCBDRO COc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424391457 1194809126 /nfs/dbraw/zinc/80/91/26/1194809126.db2.gz NBUBFEDSDKTBDB-QWHCGFSZSA-N 1 0 381.414 0.452 20 5 GCBDRO COC(=O)COc1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424376598 1194809976 /nfs/dbraw/zinc/80/99/76/1194809976.db2.gz LAIGFIIKPYHZLQ-LSDHHAIUSA-N 1 0 389.412 0.807 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000424538091 1194820443 /nfs/dbraw/zinc/82/04/43/1194820443.db2.gz CACIQUXOMFOCOI-TUKIKUTGSA-N 1 0 386.412 0.459 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434416499 1194844029 /nfs/dbraw/zinc/84/40/29/1194844029.db2.gz PCLOYWFPXQUROT-XJKSGUPXSA-N 1 0 378.429 0.676 20 5 GCBDRO O=C(NCCC[NH+]1CCCC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000514013983 1194844945 /nfs/dbraw/zinc/84/49/45/1194844945.db2.gz TYJPPUVULJUCFZ-UHFFFAOYSA-N 1 0 399.473 0.658 20 5 GCBDRO C[NH+]1CCC(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000505441983 1194854086 /nfs/dbraw/zinc/85/40/86/1194854086.db2.gz KUHQXMVJCOULLT-UHFFFAOYSA-N 1 0 384.458 0.721 20 5 GCBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000434719220 1194863614 /nfs/dbraw/zinc/86/36/14/1194863614.db2.gz PYVMLPVMGDKFGK-CRAIPNDOSA-N 1 0 393.440 0.686 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000425320584 1194910730 /nfs/dbraw/zinc/91/07/30/1194910730.db2.gz RCQVFFCLFUIEAL-ZDUSSCGKSA-N 1 0 394.428 0.512 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1=O ZINC000425315709 1194911440 /nfs/dbraw/zinc/91/14/40/1194911440.db2.gz KSJUHRPRJGKSBM-CYBMUJFWSA-N 1 0 394.428 0.512 20 5 GCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000515165844 1194951500 /nfs/dbraw/zinc/95/15/00/1194951500.db2.gz KRNQQBZVHVXAME-CQSZACIVSA-N 1 0 399.469 0.881 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435753392 1194963947 /nfs/dbraw/zinc/96/39/47/1194963947.db2.gz REHDHNREEPPIAC-ZDUSSCGKSA-N 1 0 384.458 0.864 20 5 GCBDRO O=c1c2cnn(-c3ccncc3)c2ncn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000435883483 1194969815 /nfs/dbraw/zinc/96/98/15/1194969815.db2.gz LHJCYUAGLVYFHD-CYBMUJFWSA-N 1 0 382.340 0.143 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1=O ZINC000436747884 1195033122 /nfs/dbraw/zinc/03/31/22/1195033122.db2.gz PLBQSFMUNHMABV-GFCCVEGCSA-N 1 0 380.401 0.209 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)CCCC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000516863692 1195106374 /nfs/dbraw/zinc/10/63/74/1195106374.db2.gz DEBBDUUIMXMEEN-UHFFFAOYSA-N 1 0 384.458 0.776 20 5 GCBDRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CC(C)C1 ZINC000517244458 1195162420 /nfs/dbraw/zinc/16/24/20/1195162420.db2.gz HMLLTNNFXITSMZ-AWEZNQCLSA-N 1 0 396.469 0.768 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517403054 1195177177 /nfs/dbraw/zinc/17/71/77/1195177177.db2.gz PGQPGAVTGFTGPE-LBPRGKRZSA-N 1 0 382.442 0.616 20 5 GCBDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520484 1195300416 /nfs/dbraw/zinc/30/04/16/1195300416.db2.gz PXYFLZPYILESKF-HIFRSBDPSA-N 1 0 382.442 0.913 20 5 GCBDRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000518591666 1195305882 /nfs/dbraw/zinc/30/58/82/1195305882.db2.gz YFFWBXWZPFPLCV-UHFFFAOYSA-N 1 0 390.444 0.239 20 5 GCBDRO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000518803506 1195335766 /nfs/dbraw/zinc/33/57/66/1195335766.db2.gz FFFBHFHFPDZEFG-OAHLLOKOSA-N 1 0 384.458 0.720 20 5 GCBDRO [NH3+]CCCn1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000518962680 1195351371 /nfs/dbraw/zinc/35/13/71/1195351371.db2.gz BJSYLZZFEKXDQW-UHFFFAOYSA-N 1 0 387.400 0.133 20 5 GCBDRO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000440334944 1195408010 /nfs/dbraw/zinc/40/80/10/1195408010.db2.gz BZVZBIKJJMTNCB-OAHLLOKOSA-N 1 0 396.469 0.568 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440362377 1195411437 /nfs/dbraw/zinc/41/14/37/1195411437.db2.gz FIJUTMGEVJKUNX-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000427346642 1195529950 /nfs/dbraw/zinc/52/99/50/1195529950.db2.gz KBIUXMMLIFZZME-CYBMUJFWSA-N 1 0 384.458 0.769 20 5 GCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655949 1195560553 /nfs/dbraw/zinc/56/05/53/1195560553.db2.gz QSDWCLSDHKMBOO-SWLSCSKDSA-N 1 0 390.444 0.554 20 5 GCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655872 1195560678 /nfs/dbraw/zinc/56/06/78/1195560678.db2.gz QSDWCLSDHKMBOO-DOMZBBRYSA-N 1 0 390.444 0.554 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441602747 1195793389 /nfs/dbraw/zinc/79/33/89/1195793389.db2.gz XECWVRBAYMNUSX-DOMZBBRYSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@H]1CN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C[C@@H]1O ZINC000508367906 1195921238 /nfs/dbraw/zinc/92/12/38/1195921238.db2.gz CGGKYZYYXCJQKN-LRDDRELGSA-N 1 0 386.474 0.642 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000442608357 1195996917 /nfs/dbraw/zinc/99/69/17/1195996917.db2.gz VLXKEGFJEBURCK-ZDUSSCGKSA-N 1 0 384.458 0.851 20 5 GCBDRO CC(C)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000521745748 1196015368 /nfs/dbraw/zinc/01/53/68/1196015368.db2.gz VRMNWZCXJPXCQH-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO O=C1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000521875145 1196022872 /nfs/dbraw/zinc/02/28/72/1196022872.db2.gz QFDHXDSGCJMGMI-WBVHZDCISA-N 1 0 396.469 0.661 20 5 GCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000151615703 1196054992 /nfs/dbraw/zinc/05/49/92/1196054992.db2.gz SSBUGIUEALAMHU-INIZCTEOSA-N 1 0 375.429 0.697 20 5 GCBDRO CC(C)(O)C[NH+]1CCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840002959 1196071735 /nfs/dbraw/zinc/07/17/35/1196071735.db2.gz JXJSAHAHNIIFPQ-QGZVFWFLSA-N 1 0 378.429 0.878 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067483123 1196081446 /nfs/dbraw/zinc/08/14/46/1196081446.db2.gz HAFYWIKTIOGEKE-AWEZNQCLSA-N 1 0 387.444 0.931 20 5 GCBDRO CC[N@H+](CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000522426666 1196106621 /nfs/dbraw/zinc/10/66/21/1196106621.db2.gz PAQTVAZGUSIDAP-UHFFFAOYSA-N 1 0 384.458 0.864 20 5 GCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN(CCN4CCOCC4)C3)C2)c1 ZINC000895686023 1196107973 /nfs/dbraw/zinc/10/79/73/1196107973.db2.gz QAMIEONJIKCOOL-KLAILNCOSA-N 1 0 378.477 0.881 20 5 GCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280908606 1196265393 /nfs/dbraw/zinc/26/53/93/1196265393.db2.gz IHUNWFCDIKEGCD-OLZOCXBDSA-N 1 0 384.458 0.672 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000281006934 1196270234 /nfs/dbraw/zinc/27/02/34/1196270234.db2.gz DWGHKQRYNUKVKS-UHFFFAOYSA-N 1 0 392.456 0.695 20 5 GCBDRO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000281103553 1196277491 /nfs/dbraw/zinc/27/74/91/1196277491.db2.gz MTFMFTSADJXIBX-IBGZPJMESA-N 1 0 389.456 0.701 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281498919 1196300778 /nfs/dbraw/zinc/30/07/78/1196300778.db2.gz ONZMMPWNUPPIPT-CHWSQXEVSA-N 1 0 394.428 0.389 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000281639486 1196317180 /nfs/dbraw/zinc/31/71/80/1196317180.db2.gz QOBDTTDKYBXENH-OLZOCXBDSA-N 1 0 394.428 0.247 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281762513 1196329591 /nfs/dbraw/zinc/32/95/91/1196329591.db2.gz LNGFYWHQXSMWNR-AWEZNQCLSA-N 1 0 391.472 0.855 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000281914481 1196347181 /nfs/dbraw/zinc/34/71/81/1196347181.db2.gz IZGNTOPXDFUCMD-LBPRGKRZSA-N 1 0 399.473 0.632 20 5 GCBDRO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440504150 1196511117 /nfs/dbraw/zinc/51/11/17/1196511117.db2.gz WIOWJXATMPPFMV-YOEHRIQHSA-N 1 0 383.449 0.548 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523708807 1196552659 /nfs/dbraw/zinc/55/26/59/1196552659.db2.gz ZCZXQVZLIOQAHW-GFCCVEGCSA-N 1 0 397.457 0.409 20 5 GCBDRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c1OC ZINC000525056372 1196646807 /nfs/dbraw/zinc/64/68/07/1196646807.db2.gz SRCLAJJQWCJUFP-GFCCVEGCSA-N 1 0 394.428 0.929 20 5 GCBDRO COCC[NH+](CCOC)C1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001271847434 1196649081 /nfs/dbraw/zinc/64/90/81/1196649081.db2.gz IFMXGOXQRPEUBE-UHFFFAOYSA-N 1 0 383.449 0.686 20 5 GCBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000525292326 1196665221 /nfs/dbraw/zinc/66/52/21/1196665221.db2.gz VXXTWTMZFWPNHG-GFCCVEGCSA-N 1 0 399.473 0.502 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000447240996 1196701503 /nfs/dbraw/zinc/70/15/03/1196701503.db2.gz VUWPRPAEFAPAAP-NSHDSACASA-N 1 0 388.421 0.742 20 5 GCBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509657291 1196736287 /nfs/dbraw/zinc/73/62/87/1196736287.db2.gz LRHAUWYAFJUENP-QWHCGFSZSA-N 1 0 384.458 0.766 20 5 GCBDRO COc1nccc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000449322641 1196869260 /nfs/dbraw/zinc/86/92/60/1196869260.db2.gz YNGOBOJSPIFDSI-UHFFFAOYSA-N 1 0 381.414 0.762 20 5 GCBDRO C[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450787353 1196954098 /nfs/dbraw/zinc/95/40/98/1196954098.db2.gz FPWIUPSOLNQHNY-GASCZTMLSA-N 1 0 392.456 0.959 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450792583 1196954405 /nfs/dbraw/zinc/95/44/05/1196954405.db2.gz ODQVOIOMVYONLF-OKILXGFUSA-N 1 0 392.412 0.773 20 5 GCBDRO CC[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C(=O)NC ZINC000450938254 1196961885 /nfs/dbraw/zinc/96/18/85/1196961885.db2.gz IMDQKHDKCKFXHU-LBPRGKRZSA-N 1 0 387.462 0.371 20 5 GCBDRO NC(=O)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOc2ccccc21 ZINC000451710707 1197011222 /nfs/dbraw/zinc/01/12/22/1197011222.db2.gz LROKWSWMFNNNPN-GDBMZVCRSA-N 1 0 389.412 0.853 20 5 GCBDRO CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530958103 1197031130 /nfs/dbraw/zinc/03/11/30/1197031130.db2.gz XPMHRUFYUMZACI-ZDUSSCGKSA-N 1 0 381.385 0.131 20 5 GCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452346702 1197052579 /nfs/dbraw/zinc/05/25/79/1197052579.db2.gz HCQXGKLJWWQAGT-MRXNPFEDSA-N 1 0 378.429 0.678 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCC[N@H+]1CCCO ZINC000452349886 1197053224 /nfs/dbraw/zinc/05/32/24/1197053224.db2.gz NLXQAZXBWRYNQP-CQSZACIVSA-N 1 0 392.412 0.283 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452383101 1197055718 /nfs/dbraw/zinc/05/57/18/1197055718.db2.gz OFFMNHPYASVXRM-UONOGXRCSA-N 1 0 382.465 0.790 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452802597 1197083304 /nfs/dbraw/zinc/08/33/04/1197083304.db2.gz VOLCIQYXYXEJCF-BBRMVZONSA-N 1 0 378.429 0.676 20 5 GCBDRO COc1cc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000531578263 1197085736 /nfs/dbraw/zinc/08/57/36/1197085736.db2.gz SSPCPJQYCRJXER-UHFFFAOYSA-N 1 0 386.474 0.909 20 5 GCBDRO CN(CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000453036253 1197095318 /nfs/dbraw/zinc/09/53/18/1197095318.db2.gz NSJROPIPAIMBKT-SWLSCSKDSA-N 1 0 382.442 0.378 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000453805015 1197138418 /nfs/dbraw/zinc/13/84/18/1197138418.db2.gz JCJCVGIFGNSSBC-CQSZACIVSA-N 1 0 394.428 0.895 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000520446381 1197139068 /nfs/dbraw/zinc/13/90/68/1197139068.db2.gz JLTXTWJIJPNICU-HNNXBMFYSA-N 1 0 392.456 0.947 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453808223 1197139679 /nfs/dbraw/zinc/13/96/79/1197139679.db2.gz QXNCRSMYXHWGNJ-ZDUSSCGKSA-N 1 0 380.401 0.505 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000453808220 1197139804 /nfs/dbraw/zinc/13/98/04/1197139804.db2.gz QXNCRSMYXHWGNJ-CYBMUJFWSA-N 1 0 380.401 0.505 20 5 GCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262821551 1197168524 /nfs/dbraw/zinc/16/85/24/1197168524.db2.gz XDDFCDGGZPRPJZ-LLVKDONJSA-N 1 0 388.421 0.742 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429727575 1197332512 /nfs/dbraw/zinc/33/25/12/1197332512.db2.gz VJBWGISGYJMSMG-MGPQQGTHSA-N 1 0 387.458 0.785 20 5 GCBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536610237 1197378258 /nfs/dbraw/zinc/37/82/58/1197378258.db2.gz KBOWRGLEAOQAHQ-QWHCGFSZSA-N 1 0 384.458 0.766 20 5 GCBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536610235 1197378279 /nfs/dbraw/zinc/37/82/79/1197378279.db2.gz KBOWRGLEAOQAHQ-CHWSQXEVSA-N 1 0 384.458 0.766 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429738934 1197404022 /nfs/dbraw/zinc/40/40/22/1197404022.db2.gz PVWCLGZAOONOKS-UONOGXRCSA-N 1 0 396.469 0.945 20 5 GCBDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429741710 1197404534 /nfs/dbraw/zinc/40/45/34/1197404534.db2.gz XFVLHGQYJMZVOB-QWHCGFSZSA-N 1 0 382.442 0.555 20 5 GCBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429739476 1197404584 /nfs/dbraw/zinc/40/45/84/1197404584.db2.gz RQBGZVPEJAHZOD-HNNXBMFYSA-N 1 0 382.442 0.570 20 5 GCBDRO CC1(C)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+]1CCO ZINC000614894465 1197485130 /nfs/dbraw/zinc/48/51/30/1197485130.db2.gz FLHXBYNESJCGMK-UHFFFAOYSA-N 1 0 390.396 0.106 20 5 GCBDRO CC1(C)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614895478 1197485209 /nfs/dbraw/zinc/48/52/09/1197485209.db2.gz VBLSYJQIDRBNKR-UHFFFAOYSA-N 1 0 393.444 0.309 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261789671 1197514751 /nfs/dbraw/zinc/51/47/51/1197514751.db2.gz IABCDZNVUAMSGZ-KBPBESRZSA-N 1 0 378.433 0.207 20 5 GCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428615934 1197554389 /nfs/dbraw/zinc/55/43/89/1197554389.db2.gz JPUVSJLOXFBBJN-AWEZNQCLSA-N 1 0 376.413 0.644 20 5 GCBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428623006 1197556237 /nfs/dbraw/zinc/55/62/37/1197556237.db2.gz RTSCBYHBURAAJZ-CQSZACIVSA-N 1 0 376.413 0.644 20 5 GCBDRO CC(C)(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000428630802 1197558618 /nfs/dbraw/zinc/55/86/18/1197558618.db2.gz LTRGQJVDXQXCAW-ZDUSSCGKSA-N 1 0 378.433 0.197 20 5 GCBDRO CCCc1n[nH]c(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428631120 1197558906 /nfs/dbraw/zinc/55/89/06/1197558906.db2.gz QEKFSVKSJXDFHM-GFCCVEGCSA-N 1 0 378.433 0.554 20 5 GCBDRO CC(C)(C[NH3+])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000429768834 1197576510 /nfs/dbraw/zinc/57/65/10/1197576510.db2.gz QSAYILBPMOYBEV-UHFFFAOYSA-N 1 0 384.458 0.632 20 5 GCBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000542724515 1199018375 /nfs/dbraw/zinc/01/83/75/1199018375.db2.gz QBRIZXMWDGZRRU-MRXNPFEDSA-N 1 0 392.437 0.559 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000417280673 1199242726 /nfs/dbraw/zinc/24/27/26/1199242726.db2.gz LGRMNUXDOFYHNS-LBPRGKRZSA-N 1 0 385.446 0.172 20 5 GCBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000265806388 1199312095 /nfs/dbraw/zinc/31/20/95/1199312095.db2.gz LIHMGANJFVWFGQ-UHFFFAOYSA-N 1 0 388.446 0.201 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000465991296 1199315020 /nfs/dbraw/zinc/31/50/20/1199315020.db2.gz ZANZIOLHEKXBRU-QWHCGFSZSA-N 1 0 399.473 0.655 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000419880591 1199350204 /nfs/dbraw/zinc/35/02/04/1199350204.db2.gz SOKAXHKKHGVVCK-KGLIPLIRSA-N 1 0 375.429 0.630 20 5 GCBDRO [NH3+]CC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000124797555 1199855535 /nfs/dbraw/zinc/85/55/35/1199855535.db2.gz BINRIVMJJGMGAT-UHFFFAOYSA-N 1 0 389.334 0.337 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000428954170 1199856875 /nfs/dbraw/zinc/85/68/75/1199856875.db2.gz QQTFKLWPNCNUAC-LBPRGKRZSA-N 1 0 392.412 0.222 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330787896 1199861355 /nfs/dbraw/zinc/86/13/55/1199861355.db2.gz XXCUHCQZAQAAGX-OAHLLOKOSA-N 1 0 382.442 0.522 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000428984854 1199872812 /nfs/dbraw/zinc/87/28/12/1199872812.db2.gz YPZXTSCPYIJXBA-ZDUSSCGKSA-N 1 0 387.400 0.103 20 5 GCBDRO COc1cc(CCNC(=O)NCC2(O)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000265893982 1199881899 /nfs/dbraw/zinc/88/18/99/1199881899.db2.gz WCXGKHFNGQSQCX-UHFFFAOYSA-N 1 0 396.444 0.910 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000429130841 1199939582 /nfs/dbraw/zinc/93/95/82/1199939582.db2.gz ATRLPSUVSCHDFR-CHWSQXEVSA-N 1 0 384.458 0.849 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(NC(=[NH2+])N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001168746114 1199960417 /nfs/dbraw/zinc/96/04/17/1199960417.db2.gz CJLCNDDWWVSOLL-UHFFFAOYSA-N 1 0 393.400 0.618 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000429160063 1199974475 /nfs/dbraw/zinc/97/44/75/1199974475.db2.gz GEJXYVZGUSJTHJ-DOMZBBRYSA-N 1 0 384.458 0.849 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]C1 ZINC000429214250 1200149465 /nfs/dbraw/zinc/14/94/65/1200149465.db2.gz GPWHEOXAXCHMDK-CYBMUJFWSA-N 1 0 384.458 0.769 20 5 GCBDRO CNc1nccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000594261204 1200735919 /nfs/dbraw/zinc/73/59/19/1200735919.db2.gz UJINAQXNYPODDS-UHFFFAOYSA-N 1 0 381.433 1.377 20 5 GCBDRO CNc1nccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000569376627 1200739674 /nfs/dbraw/zinc/73/96/74/1200739674.db2.gz BSHJLCIPCVKBJG-OAHLLOKOSA-N 1 0 385.424 1.181 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000542056630 1200960983 /nfs/dbraw/zinc/96/09/83/1200960983.db2.gz AWBYMKKSOIRFAZ-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000543656687 1200963578 /nfs/dbraw/zinc/96/35/78/1200963578.db2.gz ALBPLWFOLZTQEU-CQSZACIVSA-N 1 0 392.437 0.559 20 5 GCBDRO CC[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088471 1201214871 /nfs/dbraw/zinc/21/48/71/1201214871.db2.gz YCRPGUOATGSBLL-ZDUSSCGKSA-N 1 0 384.458 0.816 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000728060466 1201391854 /nfs/dbraw/zinc/39/18/54/1201391854.db2.gz QXYBECFJYGCSHJ-LLVKDONJSA-N 1 0 388.421 0.600 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000728077484 1201397638 /nfs/dbraw/zinc/39/76/38/1201397638.db2.gz JPCJGHIQBCUQPG-LBPRGKRZSA-N 1 0 382.392 0.816 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000728077480 1201397662 /nfs/dbraw/zinc/39/76/62/1201397662.db2.gz JPCJGHIQBCUQPG-GFCCVEGCSA-N 1 0 382.392 0.816 20 5 GCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000730788914 1201464364 /nfs/dbraw/zinc/46/43/64/1201464364.db2.gz CFQUCSSMVDAJLF-AWEZNQCLSA-N 1 0 378.429 0.882 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000732149867 1201524981 /nfs/dbraw/zinc/52/49/81/1201524981.db2.gz SFDYHMRYTYJAPS-CYBMUJFWSA-N 1 0 380.401 0.157 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000733162607 1201579452 /nfs/dbraw/zinc/57/94/52/1201579452.db2.gz PPXHYBUWECARPT-AWEZNQCLSA-N 1 0 378.429 0.928 20 5 GCBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 ZINC000733895514 1201630455 /nfs/dbraw/zinc/63/04/55/1201630455.db2.gz GUTIITXFJUXRHH-UHFFFAOYSA-N 1 0 384.458 0.669 20 5 GCBDRO C[N@@H+]1CCCN(CCCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000733979394 1201636129 /nfs/dbraw/zinc/63/61/29/1201636129.db2.gz QTQCXWZEHPIRMQ-UHFFFAOYSA-N 1 0 378.429 0.930 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000735855399 1201704009 /nfs/dbraw/zinc/70/40/09/1201704009.db2.gz BUOHNRVLFVFWQL-MCIONIFRSA-N 1 0 380.449 0.807 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000736193466 1201711756 /nfs/dbraw/zinc/71/17/56/1201711756.db2.gz ZSZCZFJDWIDATB-UHFFFAOYSA-N 1 0 395.412 0.758 20 5 GCBDRO C[N@@H+]1CCC[C@@H](N2CCN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)C1 ZINC000738209431 1201735531 /nfs/dbraw/zinc/73/55/31/1201735531.db2.gz BFLJOFGPWPESPG-OAHLLOKOSA-N 1 0 387.440 0.860 20 5 GCBDRO Cc1ncn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168786559 1201924048 /nfs/dbraw/zinc/92/40/48/1201924048.db2.gz PFSJUBBKSCNDOH-UHFFFAOYSA-N 1 0 379.446 0.907 20 5 GCBDRO [NH3+]Cc1cccc(-c2nnn(-c3ncnc(N4CCOCC4)c3[N+](=O)[O-])n2)c1 ZINC001168878487 1201928340 /nfs/dbraw/zinc/92/83/40/1201928340.db2.gz CQZRTIZAIAHCLV-UHFFFAOYSA-N 1 0 383.372 0.323 20 5 GCBDRO CNC(=O)[C@]12C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001169019161 1201931094 /nfs/dbraw/zinc/93/10/94/1201931094.db2.gz FBSNVLCVUCWJQS-YIOZNXECSA-N 1 0 388.472 0.939 20 5 GCBDRO 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O=C(C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)NC1CC1 ZINC001173690382 1205726431 /nfs/dbraw/zinc/72/64/31/1205726431.db2.gz PPCVYDAUGYXFEY-UHFFFAOYSA-N 1 0 382.442 0.616 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C2CN(C3COC3)C2)CC1 ZINC001173696029 1205726545 /nfs/dbraw/zinc/72/65/45/1205726545.db2.gz SXGGEFQIRBKDDQ-UHFFFAOYSA-N 1 0 396.469 0.421 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CCOC[C@H](O)C2)CC1 ZINC001173695546 1205726608 /nfs/dbraw/zinc/72/66/08/1205726608.db2.gz GFSBYPDBXIREEY-CQSZACIVSA-N 1 0 385.442 0.441 20 5 GCBDRO O=C1CC[N@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 ZINC001173695504 1205726660 /nfs/dbraw/zinc/72/66/60/1205726660.db2.gz DRKFLRFXUAAQBB-UHFFFAOYSA-N 1 0 382.442 0.570 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001173695322 1205726773 /nfs/dbraw/zinc/72/67/73/1205726773.db2.gz CHJXBFXTFVYYIY-WFASDCNBSA-N 1 0 385.442 0.033 20 5 GCBDRO CC(=O)N[C@@H]1CC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173699496 1205727029 /nfs/dbraw/zinc/72/70/29/1205727029.db2.gz OGIFGLUAJUHPPG-CQSZACIVSA-N 1 0 396.469 0.958 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC001175714384 1205740417 /nfs/dbraw/zinc/74/04/17/1205740417.db2.gz HRYZHQVCAZYGRA-OAHLLOKOSA-N 1 0 383.401 0.988 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC001175716356 1205740500 /nfs/dbraw/zinc/74/05/00/1205740500.db2.gz UCJWRJYMHUEVIQ-OAHLLOKOSA-N 1 0 383.401 0.988 20 5 GCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001175934597 1205742486 /nfs/dbraw/zinc/74/24/86/1205742486.db2.gz XSBKZIGJJBQKLW-CQSZACIVSA-N 1 0 377.445 0.703 20 5 GCBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001175934200 1205742704 /nfs/dbraw/zinc/74/27/04/1205742704.db2.gz WPNXHQDQWSTNGD-AWEZNQCLSA-N 1 0 394.476 0.968 20 5 GCBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001177532573 1205771171 /nfs/dbraw/zinc/77/11/71/1205771171.db2.gz PPBGTTHNMIFASV-CYBMUJFWSA-N 1 0 384.458 0.673 20 5 GCBDRO COc1cc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c([N+](=O)[O-])cc1O ZINC001177804821 1205777061 /nfs/dbraw/zinc/77/70/61/1205777061.db2.gz SZQMCBVBJFIRKK-OAHLLOKOSA-N 1 0 380.445 0.805 20 5 GCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001181440779 1205844831 /nfs/dbraw/zinc/84/48/31/1205844831.db2.gz DOLGJQHYDCXYHC-CWRNSKLLSA-N 1 0 375.429 0.850 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001187824131 1205969401 /nfs/dbraw/zinc/96/94/01/1205969401.db2.gz OMJDOGDCXXDXGR-LSDHHAIUSA-N 1 0 398.485 0.881 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164864629 720890957 /nfs/dbraw/zinc/89/09/57/720890957.db2.gz WEFKGXMJQRBZOM-CJNGLKHVSA-N 1 0 394.428 0.950 20 5 GCBDRO COc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-] ZINC001164750724 720952601 /nfs/dbraw/zinc/95/26/01/720952601.db2.gz MXHSLOVVVSZTAW-UHFFFAOYSA-N 1 0 390.400 0.841 20 5 GCBDRO COc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c([N+](=O)[O-])c1 ZINC001164752150 720953429 /nfs/dbraw/zinc/95/34/29/720953429.db2.gz VKPXCUZJKXSATM-UHFFFAOYSA-N 1 0 390.400 0.841 20 5 GCBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)C1 ZINC001164872961 721277362 /nfs/dbraw/zinc/27/73/62/721277362.db2.gz JXAZPEXPCHXSKX-UHFFFAOYSA-N 1 0 392.460 0.579 20 5 GCBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825934752 947376689 /nfs/dbraw/zinc/37/66/89/947376689.db2.gz RNMSKOICWPTFMV-CYBMUJFWSA-N 1 0 387.404 0.678 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000599101060 530159480 /nfs/dbraw/zinc/15/94/80/530159480.db2.gz MCIHUALJRYTAQI-RKDXNWHRSA-N 1 0 385.368 0.959 20 5 GCBDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000538158995 530243881 /nfs/dbraw/zinc/24/38/81/530243881.db2.gz JYENTHSRNSAUGK-NSHDSACASA-N 1 0 379.460 0.286 20 5 GCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000478627998 530258427 /nfs/dbraw/zinc/25/84/27/530258427.db2.gz DBCJLVVDSLQCDI-SNVBAGLBSA-N 1 0 380.220 0.706 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000581432458 530325400 /nfs/dbraw/zinc/32/54/00/530325400.db2.gz XVZANBQJUIUMLF-SNVBAGLBSA-N 1 0 382.364 0.877 20 5 GCBDRO CC(C)CSc1ccc(S(=O)(=O)NCC(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000573371101 530326605 /nfs/dbraw/zinc/32/66/05/530326605.db2.gz VPINPAFDYGHWDR-UHFFFAOYSA-N 1 0 390.487 0.696 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CCO1 ZINC000564950658 530351073 /nfs/dbraw/zinc/35/10/73/530351073.db2.gz JPFVKALHUYDVOU-NSHDSACASA-N 1 0 391.165 0.999 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000583262611 530352422 /nfs/dbraw/zinc/35/24/22/530352422.db2.gz ASXWIZBKVJSHIN-JTQLQIEISA-N 1 0 393.263 0.539 20 5 GCBDRO CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)S(=O)(=O)c1cccs1 ZINC000566114946 530372455 /nfs/dbraw/zinc/37/24/55/530372455.db2.gz NLMMDGLNDYUYCQ-LBPRGKRZSA-N 1 0 389.459 0.124 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000581432457 530758936 /nfs/dbraw/zinc/75/89/36/530758936.db2.gz XVZANBQJUIUMLF-JTQLQIEISA-N 1 0 382.364 0.877 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000161483388 530806468 /nfs/dbraw/zinc/80/64/68/530806468.db2.gz PNONOHVODNCWHZ-GFCCVEGCSA-N 1 0 396.263 0.948 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000161518262 530821931 /nfs/dbraw/zinc/82/19/31/530821931.db2.gz CGWMFNFVWOWAGD-GFCCVEGCSA-N 1 0 396.263 0.948 20 5 GCBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420485279 530870259 /nfs/dbraw/zinc/87/02/59/530870259.db2.gz ZMQWOVBMNUFRLR-VIFPVBQESA-N 1 0 380.220 0.624 20 5 GCBDRO CC(C)OC[C@@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420974535 530875355 /nfs/dbraw/zinc/87/53/55/530875355.db2.gz OSVMXBRUVZZSGJ-AWEZNQCLSA-N 1 0 375.447 0.591 20 5 GCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000274426044 530904463 /nfs/dbraw/zinc/90/44/63/530904463.db2.gz RGEVQXRQQBEKEZ-UHFFFAOYSA-N 1 0 396.263 0.950 20 5 GCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000372227454 530891546 /nfs/dbraw/zinc/89/15/46/530891546.db2.gz MIIMXCZHHPNYHO-SECBINFHSA-N 1 0 380.220 0.706 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269775801 530925837 /nfs/dbraw/zinc/92/58/37/530925837.db2.gz RPDYTNSQBFSCMD-LBPRGKRZSA-N 1 0 396.263 0.948 20 5 GCBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000495792215 530938583 /nfs/dbraw/zinc/93/85/83/530938583.db2.gz ZKQAJSIXZIQAFH-UHFFFAOYSA-N 1 0 385.218 0.861 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000576108965 530979509 /nfs/dbraw/zinc/97/95/09/530979509.db2.gz HDZWLBFDMAWFKM-NSHDSACASA-N 1 0 380.373 0.362 20 5 GCBDRO C[NH+]1CCN(CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736863638 599261489 /nfs/dbraw/zinc/26/14/89/599261489.db2.gz MTVQATGHCZEZNF-UHFFFAOYSA-N 1 0 383.416 0.982 20 5 GCBDRO CCOC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736609373 598339044 /nfs/dbraw/zinc/33/90/44/598339044.db2.gz QEWVPPBOBAZBJI-ZDUSSCGKSA-N 1 0 377.405 0.294 20 5 GCBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736859958 598427485 /nfs/dbraw/zinc/42/74/85/598427485.db2.gz KQLVWYXPBSBBPN-CYBMUJFWSA-N 1 0 387.448 0.776 20 5 GCBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736145886 598501758 /nfs/dbraw/zinc/50/17/58/598501758.db2.gz DJPUTMJTRMRYEH-LLVKDONJSA-N 1 0 376.421 0.699 20 5 GCBDRO C[C@H](O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820479740 599522938 /nfs/dbraw/zinc/52/29/38/599522938.db2.gz BPLPDRGEYVDRFV-NSHDSACASA-N 1 0 384.400 0.826 20 5 GCBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821625979 606710154 /nfs/dbraw/zinc/71/01/54/606710154.db2.gz ZRINAYFXIDSTJM-CYBMUJFWSA-N 1 0 387.448 0.776 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624048 607035646 /nfs/dbraw/zinc/03/56/46/607035646.db2.gz YFVKOLRFFQZRDM-OAHLLOKOSA-N 1 0 386.416 0.518 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000826390279 607838581 /nfs/dbraw/zinc/83/85/81/607838581.db2.gz VVBVUZRJWKWBLY-CQSZACIVSA-N 1 0 386.416 0.693 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826389625 608436479 /nfs/dbraw/zinc/43/64/79/608436479.db2.gz CQKAPXVLHSATGO-CYBMUJFWSA-N 1 0 387.404 0.088 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000826389518 608436562 /nfs/dbraw/zinc/43/65/62/608436562.db2.gz AELLZGXWUSXQOH-GFCCVEGCSA-N 1 0 387.404 0.088 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000161460583 638549718 /nfs/dbraw/zinc/54/97/18/638549718.db2.gz NKZDHEGRISGULA-GFCCVEGCSA-N 1 0 396.263 0.948 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000262761116 639880319 /nfs/dbraw/zinc/88/03/19/639880319.db2.gz RORASAGCVXOFJP-JTQLQIEISA-N 1 0 390.849 0.724 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000762554937 640609464 /nfs/dbraw/zinc/60/94/64/640609464.db2.gz MQGNDAZKRBYFSP-GFCCVEGCSA-N 1 0 394.247 0.702 20 5 GCBDRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768825718 640761638 /nfs/dbraw/zinc/76/16/38/640761638.db2.gz CLRUAEZYBBXNFE-UHFFFAOYSA-N 1 0 390.487 0.735 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768839102 640761993 /nfs/dbraw/zinc/76/19/93/640761993.db2.gz NNYHWUAXWKBABB-JTQLQIEISA-N 1 0 376.460 0.522 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNC(=[NH2+])N2CCSCC2)c([N+](=O)[O-])c1 ZINC000849053839 642623777 /nfs/dbraw/zinc/62/37/77/642623777.db2.gz LYCYEWNZTNSLCC-UHFFFAOYSA-N 1 0 387.487 0.983 20 5 GCBDRO CN(CC(=O)N[C@H](CO)C[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854463764 642829975 /nfs/dbraw/zinc/82/99/75/642829975.db2.gz GAKWKEAWMFYUJG-NSHDSACASA-N 1 0 389.250 0.832 20 5 GCBDRO COC(=O)Nc1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000858633127 642963750 /nfs/dbraw/zinc/96/37/50/642963750.db2.gz MMJCAKIPRRMARM-UHFFFAOYSA-N 1 0 376.391 0.369 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000463071959 677372191 /nfs/dbraw/zinc/37/21/91/677372191.db2.gz UJNRADQVOUDECC-UHFFFAOYSA-N 1 0 377.444 0.040 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424026338 1192265094 /nfs/dbraw/zinc/26/50/94/1192265094.db2.gz KHROOMXSXPWWHU-INIZCTEOSA-N 1 0 382.442 0.618 20 5 GCBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000568981411 1192353341 /nfs/dbraw/zinc/35/33/41/1192353341.db2.gz UDOJJULXLYDKFQ-GXTWGEPZSA-N 1 0 376.417 0.261 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)CCO1 ZINC000163068899 1192412240 /nfs/dbraw/zinc/41/22/40/1192412240.db2.gz RPFHXANUZWWQJV-XHDPSFHLSA-N 1 0 378.385 0.858 20 5 GCBDRO Cc1c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000265121110 1192460339 /nfs/dbraw/zinc/46/03/39/1192460339.db2.gz NULHFYWYLUBTTQ-CYBMUJFWSA-N 1 0 387.444 0.850 20 5 GCBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000279133906 1192471794 /nfs/dbraw/zinc/47/17/94/1192471794.db2.gz WPDHEULTSVFRFJ-KRWDZBQOSA-N 1 0 391.384 0.606 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000571125526 1192480458 /nfs/dbraw/zinc/48/04/58/1192480458.db2.gz KGKYMHNNUCMFKA-CABCVRRESA-N 1 0 381.458 0.877 20 5 GCBDRO COc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000432544481 1192549094 /nfs/dbraw/zinc/54/90/94/1192549094.db2.gz XOIXAQGRDYOTER-UHFFFAOYSA-N 1 0 380.445 0.723 20 5 GCBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418824137 1192656344 /nfs/dbraw/zinc/65/63/44/1192656344.db2.gz ZITLMEHFGNMIDP-OLZOCXBDSA-N 1 0 380.832 0.975 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(N[C@H](CCC[NH3+])C(=O)OC)ccc1[N+](=O)[O-] ZINC001167902543 1192661932 /nfs/dbraw/zinc/66/19/32/1192661932.db2.gz ZIWMJOCDQUPWIL-GFCCVEGCSA-N 1 0 397.384 0.717 20 5 GCBDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000584834972 1192662075 /nfs/dbraw/zinc/66/20/75/1192662075.db2.gz KXAMHBUKYBHEMH-LBTNJELSSA-N 1 0 389.412 0.678 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000418957494 1192699835 /nfs/dbraw/zinc/69/98/35/1192699835.db2.gz ZVQNHYMFBBXYQE-MJBXVCDLSA-N 1 0 376.413 0.805 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000419023359 1192724362 /nfs/dbraw/zinc/72/43/62/1192724362.db2.gz LXHBBYAEQGSOSB-NSHDSACASA-N 1 0 380.401 0.091 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000419027767 1192729228 /nfs/dbraw/zinc/72/92/28/1192729228.db2.gz QFYUTJABHCMBNY-GFCCVEGCSA-N 1 0 382.417 0.370 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419150598 1192810408 /nfs/dbraw/zinc/81/04/08/1192810408.db2.gz MNXLBXDBFHLTGR-QWHCGFSZSA-N 1 0 391.428 0.086 20 5 GCBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573598612 1192908414 /nfs/dbraw/zinc/90/84/14/1192908414.db2.gz AKNCHTBZKKQTLK-WMZOPIPTSA-N 1 0 387.440 0.976 20 5 GCBDRO COc1ccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000274556365 1184097743 /nfs/dbraw/zinc/09/77/43/1184097743.db2.gz IHHMUMIPXMCJFJ-CYBMUJFWSA-N 1 0 386.474 0.908 20 5 GCBDRO O=[N+]([O-])c1cnn(CCNc2cc(NCCn3cc([N+](=O)[O-])cn3)ncn2)c1 ZINC000274645849 1184141857 /nfs/dbraw/zinc/14/18/57/1184141857.db2.gz FCMBUZKWONZLBK-UHFFFAOYSA-N 1 0 388.348 0.910 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000430225280 1184303239 /nfs/dbraw/zinc/30/32/39/1184303239.db2.gz JMLHHAFTLUHFQA-OAHLLOKOSA-N 1 0 392.456 0.968 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000579835577 1184309055 /nfs/dbraw/zinc/30/90/55/1184309055.db2.gz GUMYWLSIPBEFIJ-FVQBIDKESA-N 1 0 375.429 0.980 20 5 GCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275356825 1184626756 /nfs/dbraw/zinc/62/67/56/1184626756.db2.gz WYNUFKRTIOHBIG-ZDUSSCGKSA-N 1 0 399.473 0.466 20 5 GCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000275464044 1184679165 /nfs/dbraw/zinc/67/91/65/1184679165.db2.gz QDRUYNYGEYIQEB-ZDUSSCGKSA-N 1 0 378.429 0.628 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000579912856 1184721959 /nfs/dbraw/zinc/72/19/59/1184721959.db2.gz DUJIEFFTCSEOQL-ZWKOTPCHSA-N 1 0 375.429 0.815 20 5 GCBDRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000579103332 1184916892 /nfs/dbraw/zinc/91/68/92/1184916892.db2.gz IVUKLIKCQNWWLN-OLZOCXBDSA-N 1 0 377.401 0.677 20 5 GCBDRO C[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275834010 1185169382 /nfs/dbraw/zinc/16/93/82/1185169382.db2.gz OVFOAQCHZUMQFO-NSHDSACASA-N 1 0 397.461 0.736 20 5 GCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000119048841 1185203888 /nfs/dbraw/zinc/20/38/88/1185203888.db2.gz ZWABFMGUESDONR-UHFFFAOYSA-N 1 0 394.428 0.519 20 5 GCBDRO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261639896 1185219865 /nfs/dbraw/zinc/21/98/65/1185219865.db2.gz DGMSGFMJLPZWQV-OLZOCXBDSA-N 1 0 384.458 0.720 20 5 GCBDRO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000261639897 1185220204 /nfs/dbraw/zinc/22/02/04/1185220204.db2.gz DGMSGFMJLPZWQV-QWHCGFSZSA-N 1 0 384.458 0.720 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000261654459 1185224929 /nfs/dbraw/zinc/22/49/29/1185224929.db2.gz FSCPWSCKYPEEKR-CYBMUJFWSA-N 1 0 382.442 0.399 20 5 GCBDRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000261670892 1185228015 /nfs/dbraw/zinc/22/80/15/1185228015.db2.gz BWUOLJGFUJXVNC-KBPBESRZSA-N 1 0 396.469 0.864 20 5 GCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261777732 1185256393 /nfs/dbraw/zinc/25/63/93/1185256393.db2.gz HEBVFQPFRWNXQG-ZFWWWQNUSA-N 1 0 378.433 0.288 20 5 GCBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC[NH2+]CC1 ZINC000261801455 1185261770 /nfs/dbraw/zinc/26/17/70/1185261770.db2.gz VTAOAEVVMYEATB-UHFFFAOYSA-N 1 0 385.442 0.744 20 5 GCBDRO [NH3+][C@H](CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261883767 1185281039 /nfs/dbraw/zinc/28/10/39/1185281039.db2.gz AVGKCHRHBUFZIT-CVEARBPZSA-N 1 0 396.469 0.992 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000261898362 1185281916 /nfs/dbraw/zinc/28/19/16/1185281916.db2.gz DISBGXPNTJZCFX-ZDUSSCGKSA-N 1 0 396.469 0.916 20 5 GCBDRO Cc1c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000261977406 1185297929 /nfs/dbraw/zinc/29/79/29/1185297929.db2.gz CEOSYDLHXJOLIH-INIZCTEOSA-N 1 0 385.428 0.604 20 5 GCBDRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000261990936 1185298486 /nfs/dbraw/zinc/29/84/86/1185298486.db2.gz DXDFQYUYQIJLPC-ZDUSSCGKSA-N 1 0 382.442 0.118 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261994664 1185303357 /nfs/dbraw/zinc/30/33/57/1185303357.db2.gz YUPLPZUZHCDVJG-CQSZACIVSA-N 1 0 382.442 0.379 20 5 GCBDRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000262004513 1185303773 /nfs/dbraw/zinc/30/37/73/1185303773.db2.gz IAZWYXHKLWRHIX-ZIAGYGMSSA-N 1 0 396.469 0.816 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262236112 1185543125 /nfs/dbraw/zinc/54/31/25/1185543125.db2.gz HJXNOISYEMBVKV-NSHDSACASA-N 1 0 388.421 0.411 20 5 GCBDRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1C[NH2+]C1 ZINC000262274013 1185726922 /nfs/dbraw/zinc/72/69/22/1185726922.db2.gz WFKYDNJYNLASAR-GFCCVEGCSA-N 1 0 382.442 0.283 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617983 1185787482 /nfs/dbraw/zinc/78/74/82/1185787482.db2.gz QJSMRLXGLSYTSD-CHWSQXEVSA-N 1 0 393.444 0.717 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430617985 1185787688 /nfs/dbraw/zinc/78/76/88/1185787688.db2.gz QJSMRLXGLSYTSD-QWHCGFSZSA-N 1 0 393.444 0.717 20 5 GCBDRO [NH3+]CCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510438025 1185794933 /nfs/dbraw/zinc/79/49/33/1185794933.db2.gz MBGDAPWCRDUISJ-HNNXBMFYSA-N 1 0 384.458 0.993 20 5 GCBDRO [NH3+]CCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510438026 1185795151 /nfs/dbraw/zinc/79/51/51/1185795151.db2.gz MBGDAPWCRDUISJ-OAHLLOKOSA-N 1 0 384.458 0.993 20 5 GCBDRO O=C(CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000430624244 1185808427 /nfs/dbraw/zinc/80/84/27/1185808427.db2.gz OJGYNUAXWSMSFV-AWEZNQCLSA-N 1 0 375.429 0.677 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430625676 1185809667 /nfs/dbraw/zinc/80/96/67/1185809667.db2.gz KWIIJRAGLCOPIF-OAHLLOKOSA-N 1 0 389.456 0.986 20 5 GCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430640428 1185844187 /nfs/dbraw/zinc/84/41/87/1185844187.db2.gz KDLROHFBJXUXHC-OAHLLOKOSA-N 1 0 389.456 0.986 20 5 GCBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000276567868 1185904909 /nfs/dbraw/zinc/90/49/09/1185904909.db2.gz AGMWNWGUIOYTPV-AWEZNQCLSA-N 1 0 390.418 0.711 20 5 GCBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(CO)CCOCC1 ZINC000276735466 1186003312 /nfs/dbraw/zinc/00/33/12/1186003312.db2.gz FBOQWDGMVNCPEU-UHFFFAOYSA-N 1 0 392.456 0.717 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276773178 1186041278 /nfs/dbraw/zinc/04/12/78/1186041278.db2.gz YPKNKADCBCZFPC-UONOGXRCSA-N 1 0 378.429 0.547 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000276979947 1186192988 /nfs/dbraw/zinc/19/29/88/1186192988.db2.gz ZFJHIONHALEBOI-LLVKDONJSA-N 1 0 378.385 0.696 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563086975 1186223029 /nfs/dbraw/zinc/22/30/29/1186223029.db2.gz CYJNBNGRVJOZDS-CQSZACIVSA-N 1 0 376.413 0.415 20 5 GCBDRO C[C@@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])c1ncnn1C ZINC000277006864 1186227689 /nfs/dbraw/zinc/22/76/89/1186227689.db2.gz XKKIUEDXXCGBHJ-LLVKDONJSA-N 1 0 397.461 0.736 20 5 GCBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000610922931 1186260241 /nfs/dbraw/zinc/26/02/41/1186260241.db2.gz AUCYDUSCGHQSHF-CYBMUJFWSA-N 1 0 380.449 0.578 20 5 GCBDRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1O ZINC000582012217 1186286000 /nfs/dbraw/zinc/28/60/00/1186286000.db2.gz AARVBHCCFMOKNS-WOPDTQHZSA-N 1 0 382.442 0.394 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000262535351 1186304714 /nfs/dbraw/zinc/30/47/14/1186304714.db2.gz PMRNGEOIYBTNBT-LBPRGKRZSA-N 1 0 384.458 0.767 20 5 GCBDRO CC[NH+]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000582072341 1186397414 /nfs/dbraw/zinc/39/74/14/1186397414.db2.gz UISOPVKRCIXSPJ-STQMWFEESA-N 1 0 384.458 0.814 20 5 GCBDRO Cc1c(NC(=O)[C@@H](C)N2CCN(C(=O)C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000127547159 1186514517 /nfs/dbraw/zinc/51/45/17/1186514517.db2.gz DTZLKBDUDRWLFJ-CQSZACIVSA-N 1 0 377.445 0.936 20 5 GCBDRO COCC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC[NH2+]CC1 ZINC000479087810 1186556070 /nfs/dbraw/zinc/55/60/70/1186556070.db2.gz BXLFXMFGKMCSTH-UHFFFAOYSA-N 1 0 396.469 0.957 20 5 GCBDRO Cn1cc([C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277686848 1186563569 /nfs/dbraw/zinc/56/35/69/1186563569.db2.gz GVQWXSJXHWIGMC-ZVZYQTTQSA-N 1 0 376.413 0.776 20 5 GCBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000127879687 1186566681 /nfs/dbraw/zinc/56/66/81/1186566681.db2.gz OGYNPZASLPRRKM-HZPDHXFCSA-N 1 0 391.472 0.774 20 5 GCBDRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000582660295 1186601502 /nfs/dbraw/zinc/60/15/02/1186601502.db2.gz FHKJOHMGVRVLTK-SJLPKXTDSA-N 1 0 387.440 0.976 20 5 GCBDRO O=C(Cn1cnc2c(c1=O)CC[NH2+]CC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000583497952 1186869880 /nfs/dbraw/zinc/86/98/80/1186869880.db2.gz PZSUHXSWTPFRHY-UHFFFAOYSA-N 1 0 387.352 0.207 20 5 GCBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000278388888 1186925384 /nfs/dbraw/zinc/92/53/84/1186925384.db2.gz VBIFQMCUSOAQNO-YXJHDRRASA-N 1 0 384.429 0.680 20 5 GCBDRO COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c([N+](=O)[O-])c1 ZINC000583750972 1186931673 /nfs/dbraw/zinc/93/16/73/1186931673.db2.gz VXVWLKKINPPIBU-MRXNPFEDSA-N 1 0 377.357 0.216 20 5 GCBDRO COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c([N+](=O)[O-])c1 ZINC000583750971 1186931752 /nfs/dbraw/zinc/93/17/52/1186931752.db2.gz VXVWLKKINPPIBU-INIZCTEOSA-N 1 0 377.357 0.216 20 5 GCBDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000052694556 1186963910 /nfs/dbraw/zinc/96/39/10/1186963910.db2.gz KDNSJUKOYAYPOV-HIFRSBDPSA-N 1 0 387.458 0.596 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278760462 1187052538 /nfs/dbraw/zinc/05/25/38/1187052538.db2.gz TVTFVULBLNYKDL-CQSZACIVSA-N 1 0 389.416 0.610 20 5 GCBDRO CCN1C(=O)[C@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000364825879 1187466214 /nfs/dbraw/zinc/46/62/14/1187466214.db2.gz DDWXYBMBLPCEIB-DZGCQCFKSA-N 1 0 378.385 0.303 20 5 GCBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000411378519 1187476417 /nfs/dbraw/zinc/47/64/17/1187476417.db2.gz NYLWVCZYNZFIFP-LLVKDONJSA-N 1 0 386.430 0.685 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000411386109 1187479901 /nfs/dbraw/zinc/47/99/01/1187479901.db2.gz YCNNIYALLSUGOI-LBPRGKRZSA-N 1 0 386.430 0.685 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413818333 1187527790 /nfs/dbraw/zinc/52/77/90/1187527790.db2.gz NHMLSWXZSCMRDU-OAHLLOKOSA-N 1 0 393.444 0.357 20 5 GCBDRO CC(C)(C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000236696396 1187530294 /nfs/dbraw/zinc/53/02/94/1187530294.db2.gz HHMSPVOIIMTOOU-ZFWWWQNUSA-N 1 0 392.460 0.633 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000612578790 1187531794 /nfs/dbraw/zinc/53/17/94/1187531794.db2.gz GRXAAKHCQJVJCB-UHFFFAOYSA-N 1 0 385.446 0.256 20 5 GCBDRO CC(C)(CN1CCOCC1)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000412007103 1187630729 /nfs/dbraw/zinc/63/07/29/1187630729.db2.gz WPPRQDPBMGPMFT-UHFFFAOYSA-N 1 0 380.401 0.962 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000580197578 1187675296 /nfs/dbraw/zinc/67/52/96/1187675296.db2.gz WHKVAWCXOJBLBE-VBNZEHGJSA-N 1 0 396.469 0.849 20 5 GCBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)CNc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000580236928 1187676417 /nfs/dbraw/zinc/67/64/17/1187676417.db2.gz SZDHNXSMLPRTDM-INIZCTEOSA-N 1 0 375.429 0.818 20 5 GCBDRO CC(C)OC(=O)C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccccc1[N+](=O)[O-] ZINC000581618844 1187716425 /nfs/dbraw/zinc/71/64/25/1187716425.db2.gz QVXVXITWTHFRBY-CYBMUJFWSA-N 1 0 390.400 0.958 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000581725337 1187717865 /nfs/dbraw/zinc/71/78/65/1187717865.db2.gz IJDSAWTXFYXLOK-NWDGAFQWSA-N 1 0 382.442 0.756 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000376262826 1187732824 /nfs/dbraw/zinc/73/28/24/1187732824.db2.gz BACDBJNOGXCUFF-CABCVRRESA-N 1 0 376.413 0.612 20 5 GCBDRO Cc1cc(N2CCC([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc(C)n1 ZINC000582601358 1187758418 /nfs/dbraw/zinc/75/84/18/1187758418.db2.gz JWNHIFLBZULFKD-MRXNPFEDSA-N 1 0 375.433 0.818 20 5 GCBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376444388 1187843727 /nfs/dbraw/zinc/84/37/27/1187843727.db2.gz YGCIIGUWLSSTID-DGCLKSJQSA-N 1 0 382.442 0.941 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000181042819 1187906028 /nfs/dbraw/zinc/90/60/28/1187906028.db2.gz MJYIZYWNWJWKKI-CYBMUJFWSA-N 1 0 377.445 0.902 20 5 GCBDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000189743599 1187958106 /nfs/dbraw/zinc/95/81/06/1187958106.db2.gz FWDSRPWLFHWODS-UHFFFAOYSA-N 1 0 385.450 0.145 20 5 GCBDRO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000415306831 1188028479 /nfs/dbraw/zinc/02/84/79/1188028479.db2.gz YMFPAFIJXQAHJA-UHFFFAOYSA-N 1 0 398.423 0.997 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415372096 1188065229 /nfs/dbraw/zinc/06/52/29/1188065229.db2.gz QRGYJWFWPJBJRW-CYBMUJFWSA-N 1 0 391.428 0.409 20 5 GCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000415531804 1188099534 /nfs/dbraw/zinc/09/95/34/1188099534.db2.gz VIWLXBIAMLJHNW-QWRGUYRKSA-N 1 0 378.385 0.890 20 5 GCBDRO CCOc1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000415597428 1188117877 /nfs/dbraw/zinc/11/78/77/1188117877.db2.gz CCFWEIDEZZPKDE-NSHDSACASA-N 1 0 396.400 0.517 20 5 GCBDRO CCOc1cc(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000415597422 1188117887 /nfs/dbraw/zinc/11/78/87/1188117887.db2.gz CCFWEIDEZZPKDE-LLVKDONJSA-N 1 0 396.400 0.517 20 5 GCBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC000415696736 1188142632 /nfs/dbraw/zinc/14/26/32/1188142632.db2.gz VCKYLMGXZRFPBZ-KRWDZBQOSA-N 1 0 378.385 0.892 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415717501 1188149241 /nfs/dbraw/zinc/14/92/41/1188149241.db2.gz YHCCSVKLFUYBIX-OAHLLOKOSA-N 1 0 375.429 0.602 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415757667 1188158119 /nfs/dbraw/zinc/15/81/19/1188158119.db2.gz CIOIIAPNJHDXGK-VXGBXAGGSA-N 1 0 390.396 0.905 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415757663 1188158201 /nfs/dbraw/zinc/15/82/01/1188158201.db2.gz CIOIIAPNJHDXGK-RYUDHWBXSA-N 1 0 390.396 0.905 20 5 GCBDRO CC1(C)CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[NH2+]1 ZINC000415821313 1189370663 /nfs/dbraw/zinc/37/06/63/1189370663.db2.gz GNAKXXYNHLCDNH-UHFFFAOYSA-N 1 0 378.385 0.905 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c([N+](=O)[O-])c1 ZINC000415818535 1189371496 /nfs/dbraw/zinc/37/14/96/1189371496.db2.gz UUVNBHAUTFKQOW-YGRLFVJLSA-N 1 0 376.369 0.449 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103121203 1189411029 /nfs/dbraw/zinc/41/10/29/1189411029.db2.gz IYDKUOZJYFOAFB-UHFFFAOYSA-N 1 0 378.433 0.256 20 5 GCBDRO NC(=O)c1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000103150809 1189412414 /nfs/dbraw/zinc/41/24/14/1189412414.db2.gz LIAMOYCTTOCWSI-UHFFFAOYSA-N 1 0 375.429 0.434 20 5 GCBDRO C[NH+](C)C1(CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000416289811 1189482068 /nfs/dbraw/zinc/48/20/68/1189482068.db2.gz KLUKJWYCMBXREY-UHFFFAOYSA-N 1 0 385.446 0.255 20 5 GCBDRO CN(Cc1cnn(C)c1)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000104826783 1189510247 /nfs/dbraw/zinc/51/02/47/1189510247.db2.gz UKLFJHSCTDISCF-UHFFFAOYSA-N 1 0 396.473 0.805 20 5 GCBDRO C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000412389241 1189564662 /nfs/dbraw/zinc/56/46/62/1189564662.db2.gz VTTNKUVTASEAML-SWLSCSKDSA-N 1 0 384.458 0.814 20 5 GCBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cnc2N)(N2CCOCC2)CC1 ZINC000412467367 1189628195 /nfs/dbraw/zinc/62/81/95/1189628195.db2.gz UGOFATVPZQUPLZ-UHFFFAOYSA-N 1 0 378.433 0.098 20 5 GCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417237608 1189634815 /nfs/dbraw/zinc/63/48/15/1189634815.db2.gz WYDPMIPMYMVLHH-INIZCTEOSA-N 1 0 389.456 0.991 20 5 GCBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417275578 1189637996 /nfs/dbraw/zinc/63/79/96/1189637996.db2.gz CWOPXWSHVRQGIS-FZMZJTMJSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@@]1(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000417276153 1189638134 /nfs/dbraw/zinc/63/81/34/1189638134.db2.gz DNILHZWBOSBVLI-MRXNPFEDSA-N 1 0 399.473 0.562 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417279559 1189638728 /nfs/dbraw/zinc/63/87/28/1189638728.db2.gz ISPZCDBAMPBXMG-SWLSCSKDSA-N 1 0 399.473 0.784 20 5 GCBDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417285217 1189639765 /nfs/dbraw/zinc/63/97/65/1189639765.db2.gz TZBBGHWHSUKQDS-CYBMUJFWSA-N 1 0 385.446 0.267 20 5 GCBDRO CCC([NH3+])(CC)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417287142 1189639824 /nfs/dbraw/zinc/63/98/24/1189639824.db2.gz WIFLBRCOWXHYII-UHFFFAOYSA-N 1 0 387.462 0.690 20 5 GCBDRO C[C@H](CCCC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417285759 1189639931 /nfs/dbraw/zinc/63/99/31/1189639931.db2.gz UUTWFNOLPHCGLM-GFCCVEGCSA-N 1 0 387.462 0.690 20 5 GCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289320 1189640847 /nfs/dbraw/zinc/64/08/47/1189640847.db2.gz ZVTBVNHOOXABDQ-RYUDHWBXSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417288195 1189641000 /nfs/dbraw/zinc/64/10/00/1189641000.db2.gz XZEPLRGGYTWFSR-DOMZBBRYSA-N 1 0 397.457 0.267 20 5 GCBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307064 1189644094 /nfs/dbraw/zinc/64/40/94/1189644094.db2.gz DKPOEHQGORNSAN-SMDDNHRTSA-N 1 0 385.446 0.170 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307028 1189644158 /nfs/dbraw/zinc/64/41/58/1189644158.db2.gz DHXIVNVNHVAIHL-SWLSCSKDSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000417320119 1189646550 /nfs/dbraw/zinc/64/65/50/1189646550.db2.gz IVQUQQMKGRXKJR-RYUDHWBXSA-N 1 0 385.446 0.265 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417321635 1189646842 /nfs/dbraw/zinc/64/68/42/1189646842.db2.gz LROXPYYYOQPNQY-ZDUSSCGKSA-N 1 0 399.473 0.644 20 5 GCBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417320118 1189646881 /nfs/dbraw/zinc/64/68/81/1189646881.db2.gz IVQUQQMKGRXKJR-NWDGAFQWSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417333786 1189648350 /nfs/dbraw/zinc/64/83/50/1189648350.db2.gz ZDGGDPLYVRFUIV-RISCZKNCSA-N 1 0 385.446 0.170 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417332776 1189648375 /nfs/dbraw/zinc/64/83/75/1189648375.db2.gz XTVYIFILQYFIEY-INIZCTEOSA-N 1 0 397.457 0.268 20 5 GCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000417335282 1189648890 /nfs/dbraw/zinc/64/88/90/1189648890.db2.gz GBDZTESUEBDSSZ-QWHCGFSZSA-N 1 0 399.473 0.560 20 5 GCBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417339564 1189649447 /nfs/dbraw/zinc/64/94/47/1189649447.db2.gz LGSSDOFLKHWYPA-UHFFFAOYSA-N 1 0 387.462 0.499 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000417336319 1189649455 /nfs/dbraw/zinc/64/94/55/1189649455.db2.gz HOAXSZIRFVMNJN-NEPJUHHUSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@]1(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000417343006 1189650688 /nfs/dbraw/zinc/65/06/88/1189650688.db2.gz PUOFYEAFGMPGSS-MRXNPFEDSA-N 1 0 399.473 0.562 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417347458 1189651697 /nfs/dbraw/zinc/65/16/97/1189651697.db2.gz XFFKJODELWFGOJ-VXGBXAGGSA-N 1 0 385.446 0.252 20 5 GCBDRO CCC([NH3+])(CC)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417345854 1189651719 /nfs/dbraw/zinc/65/17/19/1189651719.db2.gz UZYVABMBPNJEJN-UHFFFAOYSA-N 1 0 387.462 0.690 20 5 GCBDRO Cc1cc(OCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000431947137 1189661683 /nfs/dbraw/zinc/66/16/83/1189661683.db2.gz WOZUIVHEMDPIJQ-CQSZACIVSA-N 1 0 378.429 0.986 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584471123 1189690826 /nfs/dbraw/zinc/69/08/26/1189690826.db2.gz XXQJTCIKRVIPBJ-QWHCGFSZSA-N 1 0 382.442 0.377 20 5 GCBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417678286 1189696245 /nfs/dbraw/zinc/69/62/45/1189696245.db2.gz JLEYQGCTFBRTOX-CYBMUJFWSA-N 1 0 399.473 0.705 20 5 GCBDRO CCCC[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689872 1189696496 /nfs/dbraw/zinc/69/64/96/1189696496.db2.gz HAPAGNGFDQHDCT-LBPRGKRZSA-N 1 0 387.462 0.690 20 5 GCBDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689469 1189696661 /nfs/dbraw/zinc/69/66/61/1189696661.db2.gz GLZNJRWOPMKPIN-GFCCVEGCSA-N 1 0 387.462 0.546 20 5 GCBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685212 1189696956 /nfs/dbraw/zinc/69/69/56/1189696956.db2.gz YCUJOSNYKXWTJU-NWDGAFQWSA-N 1 0 385.446 0.170 20 5 GCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681577 1189697512 /nfs/dbraw/zinc/69/75/12/1189697512.db2.gz QGAPWLPEZWPHJQ-RYUDHWBXSA-N 1 0 385.446 0.442 20 5 GCBDRO COC[C@H](CCO)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290755369 1189703037 /nfs/dbraw/zinc/70/30/37/1189703037.db2.gz JFRHFNUFNPHYCM-LBPRGKRZSA-N 1 0 390.462 0.244 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000418022873 1189711995 /nfs/dbraw/zinc/71/19/95/1189711995.db2.gz RKWXMLIBCBKETG-CHWSQXEVSA-N 1 0 384.458 0.995 20 5 GCBDRO CC[NH2+]CCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418323440 1189760122 /nfs/dbraw/zinc/76/01/22/1189760122.db2.gz HRMLMSJTRAEYGC-UHFFFAOYSA-N 1 0 399.473 0.439 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418361168 1189768978 /nfs/dbraw/zinc/76/89/78/1189768978.db2.gz AJKNGOQUHOWORN-ZDUSSCGKSA-N 1 0 399.473 0.466 20 5 GCBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418412591 1189781393 /nfs/dbraw/zinc/78/13/93/1189781393.db2.gz RCSFDWCBHCIAQD-ZDUSSCGKSA-N 1 0 399.473 0.594 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418472233 1189795718 /nfs/dbraw/zinc/79/57/18/1189795718.db2.gz NJXSBYZIASPSTI-GFCCVEGCSA-N 1 0 399.473 0.514 20 5 GCBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418532007 1189818340 /nfs/dbraw/zinc/81/83/40/1189818340.db2.gz SMCJHFKVPGSRAM-GFCCVEGCSA-N 1 0 385.446 0.348 20 5 GCBDRO O=C1CN([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906915 1189820780 /nfs/dbraw/zinc/82/07/80/1189820780.db2.gz RMZGLNQQLDMKGD-UKRRQHHQSA-N 1 0 386.412 0.685 20 5 GCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC001648928206 1189917255 /nfs/dbraw/zinc/91/72/55/1189917255.db2.gz JLGYTURUWZWYGD-XJKSGUPXSA-N 1 0 396.469 0.816 20 5 GCBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000419358534 1193859821 /nfs/dbraw/zinc/85/98/21/1193859821.db2.gz VKGGJZBIHZKZHX-UHFFFAOYSA-N 1 0 377.445 0.055 20 5 GCBDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000419364388 1193867615 /nfs/dbraw/zinc/86/76/15/1193867615.db2.gz WJJZEBPWZFLVDH-OAHLLOKOSA-N 1 0 392.412 0.985 20 5 GCBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000576399390 1193872421 /nfs/dbraw/zinc/87/24/21/1193872421.db2.gz NJZXFEQEBYMBSU-GFCCVEGCSA-N 1 0 385.442 0.979 20 5 GCBDRO O=C(CCC1CC[NH2+]CC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000263303421 1193921640 /nfs/dbraw/zinc/92/16/40/1193921640.db2.gz XJEXVLQBYNGFPZ-UHFFFAOYSA-N 1 0 384.458 0.769 20 5 GCBDRO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261961233 1193933392 /nfs/dbraw/zinc/93/33/92/1193933392.db2.gz KFPPGTRXAZVFRB-CZUORRHYSA-N 1 0 396.469 0.803 20 5 GCBDRO [NH3+]CC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000262397174 1193947287 /nfs/dbraw/zinc/94/72/87/1193947287.db2.gz YJPQSSDIHJQXFT-UHFFFAOYSA-N 1 0 376.413 0.635 20 5 GCBDRO C[C@@H]1CCC[N@H+](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280673248 1194012498 /nfs/dbraw/zinc/01/24/98/1194012498.db2.gz BSQQSIAJGZBOFN-CYBMUJFWSA-N 1 0 384.458 0.721 20 5 GCBDRO C[C@H]1CCC[N@H+](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280673253 1194012733 /nfs/dbraw/zinc/01/27/33/1194012733.db2.gz BSQQSIAJGZBOFN-ZDUSSCGKSA-N 1 0 384.458 0.721 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280703152 1194015153 /nfs/dbraw/zinc/01/51/53/1194015153.db2.gz CPEVPHOUYCTANV-WBMJQRKESA-N 1 0 382.442 0.379 20 5 GCBDRO CC(C)[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000280757284 1194017945 /nfs/dbraw/zinc/01/79/45/1194017945.db2.gz LQCOOBCZMDEDBQ-UHFFFAOYSA-N 1 0 384.458 0.862 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000419457242 1194034076 /nfs/dbraw/zinc/03/40/76/1194034076.db2.gz VNIORKKUPYJGIG-CABCVRRESA-N 1 0 389.456 0.889 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000419457691 1194034095 /nfs/dbraw/zinc/03/40/95/1194034095.db2.gz XHNWELXAOTWSEQ-CYBMUJFWSA-N 1 0 379.417 0.008 20 5 GCBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000366388261 1194035328 /nfs/dbraw/zinc/03/53/28/1194035328.db2.gz FINZNEAANYLWQU-HNNXBMFYSA-N 1 0 379.465 0.601 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000419801153 1194105817 /nfs/dbraw/zinc/10/58/17/1194105817.db2.gz ARYBXVKQSWQAAC-UHFFFAOYSA-N 1 0 378.385 0.839 20 5 GCBDRO [NH3+]C1(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCC1 ZINC000419803121 1194106202 /nfs/dbraw/zinc/10/62/02/1194106202.db2.gz MSRUGWOFLWBKDE-UHFFFAOYSA-N 1 0 378.433 0.733 20 5 GCBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419786052 1194107969 /nfs/dbraw/zinc/10/79/69/1194107969.db2.gz QOQWMBLFXSOEJD-PHIMTYICSA-N 1 0 386.330 0.908 20 5 GCBDRO [NH3+]C1CCC(NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000419869813 1194127471 /nfs/dbraw/zinc/12/74/71/1194127471.db2.gz JYCBMTFGTWRRQZ-UHFFFAOYSA-N 1 0 375.429 0.630 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419873373 1194128866 /nfs/dbraw/zinc/12/88/66/1194128866.db2.gz RXEALCUZUOOZKF-UHFFFAOYSA-N 1 0 383.836 0.276 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419945115 1194146982 /nfs/dbraw/zinc/14/69/82/1194146982.db2.gz JIVQWYLOVOAMQB-ZDUSSCGKSA-N 1 0 378.429 0.936 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000419945929 1194147003 /nfs/dbraw/zinc/14/70/03/1194147003.db2.gz DKMYHENFYZENON-SECBINFHSA-N 1 0 391.350 0.853 20 5 GCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000419970667 1194150243 /nfs/dbraw/zinc/15/02/43/1194150243.db2.gz BZZUOQCTLIWFDE-NSHDSACASA-N 1 0 397.457 0.040 20 5 GCBDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419978533 1194151393 /nfs/dbraw/zinc/15/13/93/1194151393.db2.gz OGVMPYRJHPNVRX-OAHLLOKOSA-N 1 0 389.456 0.749 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420015023 1194161962 /nfs/dbraw/zinc/16/19/62/1194161962.db2.gz KSDIBIITZOWSTM-HUUCEWRRSA-N 1 0 389.456 0.877 20 5 GCBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420136401 1194184550 /nfs/dbraw/zinc/18/45/50/1194184550.db2.gz DBEOPJSWPBWOET-CYBMUJFWSA-N 1 0 378.433 0.272 20 5 GCBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420204386 1194204285 /nfs/dbraw/zinc/20/42/85/1194204285.db2.gz HYVWDQDRJCWJDP-MELADBBJSA-N 1 0 388.424 0.689 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420473061 1194230965 /nfs/dbraw/zinc/23/09/65/1194230965.db2.gz CPTZXWXVLXWSQE-CQSZACIVSA-N 1 0 380.430 0.979 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+](C)C1 ZINC000413898607 1194357386 /nfs/dbraw/zinc/35/73/86/1194357386.db2.gz BPYICLFRIQMQTF-GFCCVEGCSA-N 1 0 381.385 0.545 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000367077483 1194363770 /nfs/dbraw/zinc/36/37/70/1194363770.db2.gz JGUAJZMJECXGRO-CQSZACIVSA-N 1 0 387.462 0.042 20 5 GCBDRO C[NH+](C)C1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000422007617 1194377189 /nfs/dbraw/zinc/37/71/89/1194377189.db2.gz NSFNHTBKHCMACK-UHFFFAOYSA-N 1 0 384.458 0.862 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC2)CC1 ZINC000503105694 1194381888 /nfs/dbraw/zinc/38/18/88/1194381888.db2.gz PEPUXIUMFYUVPQ-UHFFFAOYSA-N 1 0 396.469 0.817 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422124647 1194390311 /nfs/dbraw/zinc/39/03/11/1194390311.db2.gz ZGBOWEJAHYNLKV-CQSZACIVSA-N 1 0 390.444 0.191 20 5 GCBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422272830 1194598107 /nfs/dbraw/zinc/59/81/07/1194598107.db2.gz TXONJNQNTCVKBX-ZDUSSCGKSA-N 1 0 378.433 0.095 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000422312979 1194610789 /nfs/dbraw/zinc/61/07/89/1194610789.db2.gz CGRUBJHDCJRFRS-KGLIPLIRSA-N 1 0 390.444 0.237 20 5 GCBDRO C[C@@H]1[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[N@@H+]1C ZINC000422425273 1194638113 /nfs/dbraw/zinc/63/81/13/1194638113.db2.gz MBNVJDGDZPUYLI-KGLIPLIRSA-N 1 0 390.444 0.237 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000503510458 1194680192 /nfs/dbraw/zinc/68/01/92/1194680192.db2.gz ZUBMCVTVIFWHAS-HNNXBMFYSA-N 1 0 398.485 0.644 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000422921891 1194708323 /nfs/dbraw/zinc/70/83/23/1194708323.db2.gz PJHVLYODAIYJNZ-MRXNPFEDSA-N 1 0 396.469 0.864 20 5 GCBDRO O=C(N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000422927009 1194709018 /nfs/dbraw/zinc/70/90/18/1194709018.db2.gz XWPHSLICKSJYDM-WBMJQRKESA-N 1 0 380.426 0.180 20 5 GCBDRO [NH3+][C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000422918950 1194710686 /nfs/dbraw/zinc/71/06/86/1194710686.db2.gz JCSRSEIVHQEYTL-OAHLLOKOSA-N 1 0 382.442 0.555 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)[NH2+]1 ZINC000422989411 1194713244 /nfs/dbraw/zinc/71/32/44/1194713244.db2.gz LMHPTKAMTLAKIU-ZIAGYGMSSA-N 1 0 375.429 0.452 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994355 1194713797 /nfs/dbraw/zinc/71/37/97/1194713797.db2.gz VDHDXXCLMSGBSV-HUUCEWRRSA-N 1 0 387.440 0.311 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422992618 1194713826 /nfs/dbraw/zinc/71/38/26/1194713826.db2.gz RPEYEGOHPZBGDI-HNNXBMFYSA-N 1 0 389.456 0.701 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422984780 1194715401 /nfs/dbraw/zinc/71/54/01/1194715401.db2.gz ZDZZNAMZLHCFCJ-HOCLYGCPSA-N 1 0 384.458 0.230 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)[NH2+]1 ZINC000423147590 1194731172 /nfs/dbraw/zinc/73/11/72/1194731172.db2.gz DANXBBYZELHOEW-ZIAGYGMSSA-N 1 0 375.429 0.452 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423152264 1194731532 /nfs/dbraw/zinc/73/15/32/1194731532.db2.gz LKQOADCVMMCYFI-KGLIPLIRSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H]1C[NH3+] ZINC000423150906 1194731685 /nfs/dbraw/zinc/73/16/85/1194731685.db2.gz JEOQYUZESODGTH-HUUCEWRRSA-N 1 0 389.456 0.687 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423160530 1194733944 /nfs/dbraw/zinc/73/39/44/1194733944.db2.gz ZNEZUIRNGBUCEZ-IBGZPJMESA-N 1 0 387.440 0.455 20 5 GCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000423395590 1194753282 /nfs/dbraw/zinc/75/32/82/1194753282.db2.gz RBICNVMBOHSTJA-ZDUSSCGKSA-N 1 0 376.413 0.785 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000423582960 1194770379 /nfs/dbraw/zinc/77/03/79/1194770379.db2.gz BMGGIQVKNWVCFW-CYBMUJFWSA-N 1 0 390.444 0.224 20 5 GCBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000423604349 1194772517 /nfs/dbraw/zinc/77/25/17/1194772517.db2.gz IBWQKIRTENJSLC-CYBMUJFWSA-N 1 0 376.413 0.785 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@H](C)C[NH2+]1 ZINC000423624220 1194778436 /nfs/dbraw/zinc/77/84/36/1194778436.db2.gz CSXVHARSENYKFM-ZIAGYGMSSA-N 1 0 375.429 0.452 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000423697951 1194783437 /nfs/dbraw/zinc/78/34/37/1194783437.db2.gz LWCIJYFDPOJLKO-HOCLYGCPSA-N 1 0 376.413 0.487 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423702491 1194790583 /nfs/dbraw/zinc/79/05/83/1194790583.db2.gz YPKOBPDJRVBSPN-TZMCWYRMSA-N 1 0 378.433 0.683 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000423958068 1194797470 /nfs/dbraw/zinc/79/74/70/1194797470.db2.gz MFJNXTVEVSONDA-OAHLLOKOSA-N 1 0 384.458 0.897 20 5 GCBDRO C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424013890 1194799028 /nfs/dbraw/zinc/79/90/28/1194799028.db2.gz KYJHJPVNNHVRRW-STQMWFEESA-N 1 0 384.458 0.707 20 5 GCBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000424072031 1194800868 /nfs/dbraw/zinc/80/08/68/1194800868.db2.gz LEFBDHKJNDXBHH-UMNHJUIQSA-N 1 0 384.458 0.996 20 5 GCBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000424072030 1194800958 /nfs/dbraw/zinc/80/09/58/1194800958.db2.gz LEFBDHKJNDXBHH-SCVCMEIPSA-N 1 0 384.458 0.996 20 5 GCBDRO COc1cc(OCC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424224561 1194805880 /nfs/dbraw/zinc/80/58/80/1194805880.db2.gz KGSYYLXFFSRXAP-UONOGXRCSA-N 1 0 375.385 0.669 20 5 GCBDRO C[C@H]1CC2(CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424247747 1194806619 /nfs/dbraw/zinc/80/66/19/1194806619.db2.gz WWCGWXXYMUYZHF-ZDUSSCGKSA-N 1 0 396.469 0.864 20 5 GCBDRO C[C@@H]1CC2(CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424247746 1194806792 /nfs/dbraw/zinc/80/67/92/1194806792.db2.gz WWCGWXXYMUYZHF-CYBMUJFWSA-N 1 0 396.469 0.864 20 5 GCBDRO Cn1cc([C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424388428 1194810260 /nfs/dbraw/zinc/81/02/60/1194810260.db2.gz HAZAGMTYKPBRES-LSDHHAIUSA-N 1 0 379.442 0.627 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434416498 1194844119 /nfs/dbraw/zinc/84/41/19/1194844119.db2.gz PCLOYWFPXQUROT-CZUORRHYSA-N 1 0 378.429 0.676 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434454205 1194846690 /nfs/dbraw/zinc/84/66/90/1194846690.db2.gz YVZWWHOBMLTXGV-CQSZACIVSA-N 1 0 379.413 0.872 20 5 GCBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000434719229 1194863535 /nfs/dbraw/zinc/86/35/35/1194863535.db2.gz PYVMLPVMGDKFGK-YJBOKZPZSA-N 1 0 393.440 0.686 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435233089 1194904160 /nfs/dbraw/zinc/90/41/60/1194904160.db2.gz RZMCVXLOERBNKK-GFCCVEGCSA-N 1 0 397.457 0.397 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1=O ZINC000425308558 1194904679 /nfs/dbraw/zinc/90/46/79/1194904679.db2.gz CIYZXMFUXXMAEO-ZDUSSCGKSA-N 1 0 394.428 0.512 20 5 GCBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)C1=O ZINC000425308557 1194904967 /nfs/dbraw/zinc/90/49/67/1194904967.db2.gz LOLBADNCQSVOLJ-CYBMUJFWSA-N 1 0 390.396 0.748 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1=O ZINC000425317114 1194909538 /nfs/dbraw/zinc/90/95/38/1194909538.db2.gz MMSMFXHDPOCDFJ-AWEZNQCLSA-N 1 0 382.392 0.643 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435750435 1194960986 /nfs/dbraw/zinc/96/09/86/1194960986.db2.gz BVPSZLHPDOZHJC-ZDUSSCGKSA-N 1 0 384.458 0.864 20 5 GCBDRO CCn1cc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000435809699 1194966641 /nfs/dbraw/zinc/96/66/41/1194966641.db2.gz QLRIHCPZMNWCCQ-CYBMUJFWSA-N 1 0 388.494 0.362 20 5 GCBDRO CN(C(=O)CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000436061321 1194983106 /nfs/dbraw/zinc/98/31/06/1194983106.db2.gz UCOOZSQGRSAEED-INIZCTEOSA-N 1 0 377.445 0.877 20 5 GCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000436069629 1194984052 /nfs/dbraw/zinc/98/40/52/1194984052.db2.gz YTXCDJAGCJKJHM-MRXNPFEDSA-N 1 0 389.456 0.803 20 5 GCBDRO COC[C@]1(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000516644997 1195079128 /nfs/dbraw/zinc/07/91/28/1195079128.db2.gz WIBIMNILSIEKLJ-MRXNPFEDSA-N 1 0 382.442 0.671 20 5 GCBDRO C[NH+](C)CC(C)(C)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000516812277 1195100010 /nfs/dbraw/zinc/10/00/10/1195100010.db2.gz VRWNJWOUFDZPFQ-UHFFFAOYSA-N 1 0 386.474 0.967 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000516862370 1195106246 /nfs/dbraw/zinc/10/62/46/1195106246.db2.gz XXTYKJGRTVCYNI-OAHLLOKOSA-N 1 0 395.437 0.903 20 5 GCBDRO O=C1NC(=O)C2(CCC([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000517558459 1195190590 /nfs/dbraw/zinc/19/05/90/1195190590.db2.gz VMVSEIZCRVGYRI-VMBJYNEYSA-N 1 0 378.385 0.445 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[N@@H+]1CCCOCC1 ZINC000438672612 1195235721 /nfs/dbraw/zinc/23/57/21/1195235721.db2.gz JJHGIVAWYSQFFY-UHFFFAOYSA-N 1 0 378.385 0.159 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000518002510 1195237950 /nfs/dbraw/zinc/23/79/50/1195237950.db2.gz ZXIFPYWZXJEAAO-UHFFFAOYSA-N 1 0 399.473 0.646 20 5 GCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000518077032 1195245967 /nfs/dbraw/zinc/24/59/67/1195245967.db2.gz JIPZUXDQXYILSU-GFCCVEGCSA-N 1 0 378.385 0.157 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429637431 1195260131 /nfs/dbraw/zinc/26/01/31/1195260131.db2.gz CGOQCNQTHFCYMF-OLZOCXBDSA-N 1 0 382.442 0.616 20 5 GCBDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000518358600 1195284901 /nfs/dbraw/zinc/28/49/01/1195284901.db2.gz YBVJTSMFELTIMR-ZDUSSCGKSA-N 1 0 382.442 0.379 20 5 GCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000518814861 1195336664 /nfs/dbraw/zinc/33/66/64/1195336664.db2.gz XUNGDLYCDADZTM-UHFFFAOYSA-N 1 0 399.473 0.597 20 5 GCBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000427340832 1195529313 /nfs/dbraw/zinc/52/93/13/1195529313.db2.gz YCKGJIHVHMFDLG-CYBMUJFWSA-N 1 0 382.442 0.427 20 5 GCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655959 1195560621 /nfs/dbraw/zinc/56/06/21/1195560621.db2.gz QSDWCLSDHKMBOO-WFASDCNBSA-N 1 0 390.444 0.554 20 5 GCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000574462309 1195583520 /nfs/dbraw/zinc/58/35/20/1195583520.db2.gz FKUFRSKWWFKWFL-FZKQIMNGSA-N 1 0 392.412 0.365 20 5 GCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506237 1195777511 /nfs/dbraw/zinc/77/75/11/1195777511.db2.gz OVZDXSMOBVGTGG-CVEARBPZSA-N 1 0 390.444 0.685 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000520560789 1195787436 /nfs/dbraw/zinc/78/74/36/1195787436.db2.gz MVNNRBPBCSCZJN-AWEZNQCLSA-N 1 0 392.460 0.893 20 5 GCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000521506649 1195999278 /nfs/dbraw/zinc/99/92/78/1195999278.db2.gz IGJAKRTXOXLDAC-AWEZNQCLSA-N 1 0 380.449 0.585 20 5 GCBDRO O=C(CC[NH2+]C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000521644174 1196008699 /nfs/dbraw/zinc/00/86/99/1196008699.db2.gz ZKKMLCIMSMXACA-UHFFFAOYSA-N 1 0 382.442 0.570 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000521690708 1196010982 /nfs/dbraw/zinc/01/09/82/1196010982.db2.gz UEFJOEFILKYREF-GFCCVEGCSA-N 1 0 386.430 0.222 20 5 GCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000521734129 1196012960 /nfs/dbraw/zinc/01/29/60/1196012960.db2.gz HTDLDSJWTRWBEJ-ZDUSSCGKSA-N 1 0 399.473 0.514 20 5 GCBDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000522139341 1196045953 /nfs/dbraw/zinc/04/59/53/1196045953.db2.gz JLOPDUWAXYBDGK-UHFFFAOYSA-N 1 0 387.400 0.603 20 5 GCBDRO C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895247520 1196067644 /nfs/dbraw/zinc/06/76/44/1196067644.db2.gz VIBCPUHHZAXNOX-BLLLJJGKSA-N 1 0 385.490 0.891 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000237339976 1196112593 /nfs/dbraw/zinc/11/25/93/1196112593.db2.gz UJSKXSLBSYURMO-CYBMUJFWSA-N 1 0 377.445 0.849 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000474784089 1196149519 /nfs/dbraw/zinc/14/95/19/1196149519.db2.gz OCNNGPVHPSJQBQ-UKRRQHHQSA-N 1 0 395.508 0.969 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000474784087 1196149780 /nfs/dbraw/zinc/14/97/80/1196149780.db2.gz OCNNGPVHPSJQBQ-DZGCQCFKSA-N 1 0 395.508 0.969 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000281030408 1196272160 /nfs/dbraw/zinc/27/21/60/1196272160.db2.gz HVDJMSQMWIRDQI-UHFFFAOYSA-N 1 0 378.429 0.386 20 5 GCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000281064321 1196274175 /nfs/dbraw/zinc/27/41/75/1196274175.db2.gz YYTIBVVKQCQQGP-ZDUSSCGKSA-N 1 0 384.458 0.816 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000281064858 1196274534 /nfs/dbraw/zinc/27/45/34/1196274534.db2.gz LXSGTVKGJRJWGZ-UHFFFAOYSA-N 1 0 378.429 0.766 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000281167740 1196280142 /nfs/dbraw/zinc/28/01/42/1196280142.db2.gz XJNVOOCLZWNXKP-UHFFFAOYSA-N 1 0 394.428 0.223 20 5 GCBDRO O=C(NCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000281239202 1196285534 /nfs/dbraw/zinc/28/55/34/1196285534.db2.gz FYSNVKAZNQMKSE-LBPRGKRZSA-N 1 0 379.339 0.543 20 5 GCBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281422500 1196294464 /nfs/dbraw/zinc/29/44/64/1196294464.db2.gz BDNKRGWPSRIUCC-UONOGXRCSA-N 1 0 378.429 0.628 20 5 GCBDRO C[NH+](C)CC1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000281781873 1196331136 /nfs/dbraw/zinc/33/11/36/1196331136.db2.gz RPUPPJIMGCPBFX-UHFFFAOYSA-N 1 0 399.473 0.645 20 5 GCBDRO COC(=O)COc1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000475116857 1196381361 /nfs/dbraw/zinc/38/13/61/1196381361.db2.gz GVRBSYKMQKGGRP-UHFFFAOYSA-N 1 0 387.414 0.400 20 5 GCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487474115 1196427227 /nfs/dbraw/zinc/42/72/27/1196427227.db2.gz GXIGHWNTPBPQBC-UHFFFAOYSA-N 1 0 376.413 0.740 20 5 GCBDRO COC(=O)Cn1cc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000440492476 1196509013 /nfs/dbraw/zinc/50/90/13/1196509013.db2.gz UEOXEMQBWIECFC-LBPRGKRZSA-N 1 0 375.389 0.483 20 5 GCBDRO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440504149 1196511137 /nfs/dbraw/zinc/51/11/37/1196511137.db2.gz WIOWJXATMPPFMV-WMLDXEAASA-N 1 0 383.449 0.548 20 5 GCBDRO C[C@H]1CN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523481814 1196528238 /nfs/dbraw/zinc/52/82/38/1196528238.db2.gz MDTJKOIOMDUXBJ-ZDUSSCGKSA-N 1 0 379.417 0.231 20 5 GCBDRO NC(=O)[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000523935222 1196567958 /nfs/dbraw/zinc/56/79/58/1196567958.db2.gz RYQWADVAXHEOIW-HNNXBMFYSA-N 1 0 378.410 0.689 20 5 GCBDRO CC(C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)N1CC[NH+](C)CC1 ZINC000525193805 1196657157 /nfs/dbraw/zinc/65/71/57/1196657157.db2.gz SZIXFGSETZQWPL-HNNXBMFYSA-N 1 0 385.490 0.926 20 5 GCBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429716492 1196693311 /nfs/dbraw/zinc/69/33/11/1196693311.db2.gz ALFCAPSGZQRZHW-CABCVRRESA-N 1 0 396.469 0.934 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])cn1 ZINC000525617812 1196695590 /nfs/dbraw/zinc/69/55/90/1196695590.db2.gz GNTDPHHTUDANLE-UHFFFAOYSA-N 1 0 389.416 0.520 20 5 GCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447245062 1196701918 /nfs/dbraw/zinc/70/19/18/1196701918.db2.gz DXYZNKKYUXUPNE-OAHLLOKOSA-N 1 0 384.458 0.744 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000447245458 1196701925 /nfs/dbraw/zinc/70/19/25/1196701925.db2.gz FSSRNDKJBCIYCH-CYBMUJFWSA-N 1 0 384.458 0.911 20 5 GCBDRO C[C@H]1CC[N@H+](CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804694 1196711076 /nfs/dbraw/zinc/71/10/76/1196711076.db2.gz KHKMYWHYRDUBFL-ZDUSSCGKSA-N 1 0 384.458 0.673 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448932600 1196841089 /nfs/dbraw/zinc/84/10/89/1196841089.db2.gz KGGGEQAQMSPLCV-HNNXBMFYSA-N 1 0 386.412 0.850 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000449715105 1196894531 /nfs/dbraw/zinc/89/45/31/1196894531.db2.gz IMQQMUCXFVWRAP-IOASZLSFSA-N 1 0 396.469 0.992 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000449719523 1196895201 /nfs/dbraw/zinc/89/52/01/1196895201.db2.gz LIIJRXINOJRMIN-LLVKDONJSA-N 1 0 376.291 0.716 20 5 GCBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000449749068 1196896429 /nfs/dbraw/zinc/89/64/29/1196896429.db2.gz OLAWZUARBOAHON-CYBMUJFWSA-N 1 0 385.446 0.301 20 5 GCBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452349882 1197053545 /nfs/dbraw/zinc/05/35/45/1197053545.db2.gz NLXQAZXBWRYNQP-AWEZNQCLSA-N 1 0 392.412 0.283 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452365164 1197056372 /nfs/dbraw/zinc/05/63/72/1197056372.db2.gz NLTKKNRPRNZYFS-AWEZNQCLSA-N 1 0 379.413 0.872 20 5 GCBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452785780 1197081492 /nfs/dbraw/zinc/08/14/92/1197081492.db2.gz SPUCIIRIVZFLLT-INIZCTEOSA-N 1 0 393.444 0.357 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)COC2CCOCC2)cc1 ZINC000520220742 1197091929 /nfs/dbraw/zinc/09/19/29/1197091929.db2.gz MMYHCIRDKFVNQG-AWEZNQCLSA-N 1 0 388.442 0.515 20 5 GCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000520229547 1197094824 /nfs/dbraw/zinc/09/48/24/1197094824.db2.gz VVFFRFMBCABSBG-HNNXBMFYSA-N 1 0 398.485 0.787 20 5 GCBDRO Cn1nnc2cc(C[NH2+]CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000532213404 1197126686 /nfs/dbraw/zinc/12/66/86/1197126686.db2.gz VLZRCPZMMDLPML-UHFFFAOYSA-N 1 0 390.425 0.945 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000428529672 1197192028 /nfs/dbraw/zinc/19/20/28/1197192028.db2.gz BJQVGXAPRGXXKI-LLVKDONJSA-N 1 0 385.446 0.242 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000171136587 1197312617 /nfs/dbraw/zinc/31/26/17/1197312617.db2.gz GAJSJQUUKAGYLG-UONOGXRCSA-N 1 0 377.445 0.465 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)c([N+](=O)[O-])n1 ZINC000532855600 1197416329 /nfs/dbraw/zinc/41/63/29/1197416329.db2.gz WBSQBEAMMRKRJO-ZDUSSCGKSA-N 1 0 389.478 0.933 20 5 GCBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000533040500 1197428558 /nfs/dbraw/zinc/42/85/58/1197428558.db2.gz BVGGMPNTRBKWFV-UHFFFAOYSA-N 1 0 382.417 0.488 20 5 GCBDRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000533070265 1197430305 /nfs/dbraw/zinc/43/03/05/1197430305.db2.gz QYKXYTJMYPKWDD-GFCCVEGCSA-N 1 0 384.414 0.646 20 5 GCBDRO CNc1nc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455414517 1197460994 /nfs/dbraw/zinc/46/09/94/1197460994.db2.gz FXCQSVLKXLMZFM-UHFFFAOYSA-N 1 0 376.417 0.412 20 5 GCBDRO CNc1nc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000455573981 1197470917 /nfs/dbraw/zinc/47/09/17/1197470917.db2.gz HENJPXXFECVZHB-UHFFFAOYSA-N 1 0 378.433 0.704 20 5 GCBDRO CCC[C@H](NC(=O)CNC(=O)C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212008011 1197473367 /nfs/dbraw/zinc/47/33/67/1197473367.db2.gz PHFLHDWSVAPXTE-VIFPVBQESA-N 1 0 395.351 0.211 20 5 GCBDRO CC1(C)CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000614894886 1197484895 /nfs/dbraw/zinc/48/48/95/1197484895.db2.gz LLIOXFGXADUEBH-UHFFFAOYSA-N 1 0 396.469 0.701 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428606437 1197551844 /nfs/dbraw/zinc/55/18/44/1197551844.db2.gz XCSLJUHYLSMJMT-FUNVUKJBSA-N 1 0 382.442 0.662 20 5 GCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000273386835 1198966465 /nfs/dbraw/zinc/96/64/65/1198966465.db2.gz ULTATKZUIIUNQE-AWEZNQCLSA-N 1 0 387.458 0.690 20 5 GCBDRO CC[NH+]1CCN(CCC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273405812 1198983517 /nfs/dbraw/zinc/98/35/17/1198983517.db2.gz OHXIJHMZJGHCPB-UHFFFAOYSA-N 1 0 398.485 0.512 20 5 GCBDRO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000265723526 1199020943 /nfs/dbraw/zinc/02/09/43/1199020943.db2.gz NCDCLNHMUHULQO-ZIAGYGMSSA-N 1 0 378.429 0.798 20 5 GCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000273488848 1199021399 /nfs/dbraw/zinc/02/13/99/1199021399.db2.gz NQCCZCYGCZWSAR-GFCCVEGCSA-N 1 0 399.473 0.645 20 5 GCBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000273488853 1199022275 /nfs/dbraw/zinc/02/22/75/1199022275.db2.gz NQCCZCYGCZWSAR-LBPRGKRZSA-N 1 0 399.473 0.645 20 5 GCBDRO C[C@]1(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000417276151 1199241983 /nfs/dbraw/zinc/24/19/83/1199241983.db2.gz DNILHZWBOSBVLI-INIZCTEOSA-N 1 0 399.473 0.562 20 5 GCBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000543183611 1199565314 /nfs/dbraw/zinc/56/53/14/1199565314.db2.gz NWNOETNGNZJJPU-YOEHRIQHSA-N 1 0 381.429 0.808 20 5 GCBDRO COC[C@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000265841311 1199606520 /nfs/dbraw/zinc/60/65/20/1199606520.db2.gz SIPCRGIFXYVABW-ZDUSSCGKSA-N 1 0 386.474 0.907 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000466526846 1199766282 /nfs/dbraw/zinc/76/62/82/1199766282.db2.gz DUONGUOLZLVMOJ-UHFFFAOYSA-N 1 0 394.428 0.466 20 5 GCBDRO C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000428979838 1199870114 /nfs/dbraw/zinc/87/01/14/1199870114.db2.gz SWUSQJSLEGSSFK-NEPJUHHUSA-N 1 0 399.473 0.549 20 5 GCBDRO C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000428988750 1199875330 /nfs/dbraw/zinc/87/53/30/1199875330.db2.gz CFYPSADDTAVGKL-STQMWFEESA-N 1 0 384.458 0.768 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000509129957 1199935351 /nfs/dbraw/zinc/93/53/51/1199935351.db2.gz OOFKEXAHTJDSNA-CQSZACIVSA-N 1 0 381.481 0.581 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc2[N+](=O)[O-])CC1 ZINC000429148233 1199953408 /nfs/dbraw/zinc/95/34/08/1199953408.db2.gz GXPWVENZIPPPFO-OAHLLOKOSA-N 1 0 377.445 0.976 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000133394980 1200076055 /nfs/dbraw/zinc/07/60/55/1200076055.db2.gz SFTUCNYIMLSJSX-UHFFFAOYSA-N 1 0 378.477 0.976 20 5 GCBDRO Cn1cc(C(=O)NCC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000173777503 1200373312 /nfs/dbraw/zinc/37/33/12/1200373312.db2.gz PYGFIVRMPCEFHH-INIZCTEOSA-N 1 0 391.432 0.028 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041640320 1200388686 /nfs/dbraw/zinc/38/86/86/1200388686.db2.gz HRJGORMHHHOJMB-CQSZACIVSA-N 1 0 377.445 0.984 20 5 GCBDRO C[NH+](C)CCn1ccc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369693349 1200640794 /nfs/dbraw/zinc/64/07/94/1200640794.db2.gz NHMRREMNFKMXGP-UHFFFAOYSA-N 1 0 376.421 1.418 20 5 GCBDRO CNc1nccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000584539399 1200741321 /nfs/dbraw/zinc/74/13/21/1200741321.db2.gz QVJNPQZSBYJFOZ-HUUCEWRRSA-N 1 0 385.424 1.397 20 5 GCBDRO COC(=O)c1cc(C)nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000561184374 1200825728 /nfs/dbraw/zinc/82/57/28/1200825728.db2.gz LCUBKYJFOKZCRI-GFCCVEGCSA-N 1 0 379.417 1.084 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000731621066 1201491099 /nfs/dbraw/zinc/49/10/99/1201491099.db2.gz CNEKIDCIEKCIPP-ZIAGYGMSSA-N 1 0 393.396 0.774 20 5 GCBDRO COCC[N@@H+]1CC[C@H](NC(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)C1 ZINC000731640226 1201494059 /nfs/dbraw/zinc/49/40/59/1201494059.db2.gz XGWJWENUXNIMKI-ZDUSSCGKSA-N 1 0 381.385 0.632 20 5 GCBDRO CCOCCN1CCN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CC1 ZINC000732121938 1201521762 /nfs/dbraw/zinc/52/17/62/1201521762.db2.gz SAOUIZXMERTIAP-UHFFFAOYSA-N 1 0 395.412 0.975 20 5 GCBDRO COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168977152 1201929398 /nfs/dbraw/zinc/92/93/98/1201929398.db2.gz IHLQMLITZLLFDA-HEHGZKQESA-N 1 0 381.429 0.888 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(-n2nc(CC[NH3+])nc2C)ccc1[N+](=O)[O-] ZINC001168990610 1201930393 /nfs/dbraw/zinc/93/03/93/1201930393.db2.gz DEQBEVUOMZDWMH-UHFFFAOYSA-N 1 0 377.357 0.415 20 5 GCBDRO 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 1201931336 /nfs/dbraw/zinc/93/13/36/1201931336.db2.gz PBWYYUFKQIEZND-ZKXLYKBJSA-N 1 0 381.473 0.875 20 5 GCBDRO 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 1201931350 /nfs/dbraw/zinc/93/13/50/1201931350.db2.gz NVJOSJJBVCSXFR-VGAPYMQISA-N 1 0 391.472 0.932 20 5 GCBDRO CC(C)(C)OC(=O)NC1(CO)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000788003453 1205410949 /nfs/dbraw/zinc/41/09/49/1205410949.db2.gz GGKJRTHGSANYEI-CQSZACIVSA-N 1 0 399.448 0.504 20 5 GCBDRO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+](C)C1CC1 ZINC000804430442 1205515560 /nfs/dbraw/zinc/51/55/60/1205515560.db2.gz PMADSYJNKKZEOL-AWEZNQCLSA-N 1 0 389.456 0.842 20 5 GCBDRO NC(=O)c1ccc(SCC(=O)N[C@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000808224524 1205603116 /nfs/dbraw/zinc/60/31/16/1205603116.db2.gz TWTFHBXTPGIHFH-LBPRGKRZSA-N 1 0 382.442 0.359 20 5 GCBDRO CCO[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC001133348808 1205665741 /nfs/dbraw/zinc/66/57/41/1205665741.db2.gz LIEYWLKDEJUNNQ-ZDUSSCGKSA-N 1 0 380.401 0.403 20 5 GCBDRO C[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(=O)NCC(N)=O ZINC001173013601 1205718306 /nfs/dbraw/zinc/71/83/06/1205718306.db2.gz YFSDEJHJGCOPID-VIFPVBQESA-N 1 0 385.371 0.421 20 5 GCBDRO CN1C[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC001173693236 1205726313 /nfs/dbraw/zinc/72/63/13/1205726313.db2.gz HFQNIYALVKVEKY-CYBMUJFWSA-N 1 0 396.469 0.816 20 5 GCBDRO [NH3+]CCN1CCN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173691263 1205726405 /nfs/dbraw/zinc/72/64/05/1205726405.db2.gz KKHQMSXKCAEOHC-UHFFFAOYSA-N 1 0 397.501 0.324 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001173695318 1205726554 /nfs/dbraw/zinc/72/65/54/1205726554.db2.gz CHJXBFXTFVYYIY-DOMZBBRYSA-N 1 0 385.442 0.033 20 5 GCBDRO O=C1NC[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC001173696245 1205726688 /nfs/dbraw/zinc/72/66/88/1205726688.db2.gz VLJGUELQPIIXHA-GFCCVEGCSA-N 1 0 384.414 0.446 20 5 GCBDRO CC(=O)N1CCN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173695675 1205726753 /nfs/dbraw/zinc/72/67/53/1205726753.db2.gz IXUBIJKZAHOCRI-UHFFFAOYSA-N 1 0 396.469 0.912 20 5 GCBDRO NC(=O)c1ccc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001175757823 1205741038 /nfs/dbraw/zinc/74/10/38/1205741038.db2.gz IBZNSUFMCWSCQF-UHFFFAOYSA-N 1 0 389.456 1.000 20 5 GCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001177879841 1205779632 /nfs/dbraw/zinc/77/96/32/1205779632.db2.gz RSBPZBATQXXRNJ-DZGCQCFKSA-N 1 0 396.469 0.958 20 5 GCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008631 1205799451 /nfs/dbraw/zinc/79/94/51/1205799451.db2.gz OTYYJVXTEISUJL-DGCLKSJQSA-N 1 0 378.385 0.382 20 5 GCBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CCC3(CS(=O)(=O)C3)CC2)cc1 ZINC001183696102 1205897667 /nfs/dbraw/zinc/89/76/67/1205897667.db2.gz JJNZHTWWTSJGGN-HZPDHXFCSA-N 1 0 384.454 0.936 20 5 GCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738127 720697634 /nfs/dbraw/zinc/69/76/34/720697634.db2.gz ILLFSYLOYDYGOP-CHWSQXEVSA-N 1 0 387.400 0.834 20 5 GCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738137 720698075 /nfs/dbraw/zinc/69/80/75/720698075.db2.gz ILLFSYLOYDYGOP-STQMWFEESA-N 1 0 387.400 0.834 20 5 GCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164752109 720951721 /nfs/dbraw/zinc/95/17/21/720951721.db2.gz UWZXTXKWVYEYSI-UHFFFAOYSA-N 1 0 378.364 0.971 20 5 GCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164752333 720958556 /nfs/dbraw/zinc/95/85/56/720958556.db2.gz WJMIBOSWCQEUSQ-UHFFFAOYSA-N 1 0 375.389 0.414 20 5 GCBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001164872783 721262365 /nfs/dbraw/zinc/26/23/65/721262365.db2.gz FYBNKEBZFNJLPN-UHFFFAOYSA-N 1 0 393.444 0.235 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000124994409 530189749 /nfs/dbraw/zinc/18/97/49/530189749.db2.gz JIRGCAUGRZGLCY-SNVBAGLBSA-N 1 0 382.364 0.877 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000261932085 530194777 /nfs/dbraw/zinc/19/47/77/530194777.db2.gz ZZVQFIARZDLWPP-GFCCVEGCSA-N 1 0 382.364 0.709 20 5 GCBDRO CNS(=O)(=O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289467102 530264470 /nfs/dbraw/zinc/26/44/70/530264470.db2.gz IRQSSXDUNDOHEK-UHFFFAOYSA-N 1 0 399.210 0.838 20 5 GCBDRO CS(=O)(=O)NCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290042884 530298657 /nfs/dbraw/zinc/29/86/57/530298657.db2.gz WPLAVVAITYMWQZ-UHFFFAOYSA-N 1 0 399.210 0.838 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000517024413 530314560 /nfs/dbraw/zinc/31/45/60/530314560.db2.gz SUUIIBBTUAZGQV-LLVKDONJSA-N 1 0 391.165 0.918 20 5 GCBDRO CCn1cc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000589296201 530344503 /nfs/dbraw/zinc/34/45/03/530344503.db2.gz PDMYVCKTCKULSU-UHFFFAOYSA-N 1 0 377.492 0.917 20 5 GCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000184342689 530499421 /nfs/dbraw/zinc/49/94/21/530499421.db2.gz AXKAMIXUEVPDFM-UHFFFAOYSA-N 1 0 396.263 0.950 20 5 GCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000569592010 530500503 /nfs/dbraw/zinc/50/05/03/530500503.db2.gz QJBIQMHCSWDTNO-NEPJUHHUSA-N 1 0 383.202 0.741 20 5 GCBDRO Cc1c(Br)c(=O)n(CC(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000542220104 530527608 /nfs/dbraw/zinc/52/76/08/530527608.db2.gz OXHNBRALAUCMBA-UHFFFAOYSA-N 1 0 375.223 0.895 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545865072 530686190 /nfs/dbraw/zinc/68/61/90/530686190.db2.gz BLHCVHSDCLESDO-GFCCVEGCSA-N 1 0 394.247 0.702 20 5 GCBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCN2CC[NH2+]CC2)c1 ZINC000440363008 530687120 /nfs/dbraw/zinc/68/71/20/530687120.db2.gz HLUJMFVIZICRHM-UHFFFAOYSA-N 1 0 393.263 0.541 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161415160 530778237 /nfs/dbraw/zinc/77/82/37/530778237.db2.gz FLIPYRZFRXQFMZ-GFCCVEGCSA-N 1 0 396.263 0.948 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000418029851 530853059 /nfs/dbraw/zinc/85/30/59/530853059.db2.gz ZYBIGLXQMWDVRC-NSHDSACASA-N 1 0 380.373 0.650 20 5 GCBDRO CCn1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000532853310 530899103 /nfs/dbraw/zinc/89/91/03/530899103.db2.gz SLFFCRDKOUKILD-LBPRGKRZSA-N 1 0 375.451 0.182 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271170848 530892179 /nfs/dbraw/zinc/89/21/79/530892179.db2.gz VEWQEVJTOMEUQW-UHFFFAOYSA-N 1 0 376.460 0.270 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)s1 ZINC000443258224 530893853 /nfs/dbraw/zinc/89/38/53/530893853.db2.gz UJBSGTUKACWZPT-UHFFFAOYSA-N 1 0 392.503 0.325 20 5 GCBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000495563084 530937988 /nfs/dbraw/zinc/93/79/88/530937988.db2.gz OIRWBNFKKZBZJN-UHFFFAOYSA-N 1 0 385.218 0.861 20 5 GCBDRO CCn1cc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c([N+](=O)[O-])n1 ZINC000611107403 530945245 /nfs/dbraw/zinc/94/52/45/530945245.db2.gz PFZGAMFDNJBHED-UHFFFAOYSA-N 1 0 375.451 0.325 20 5 GCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000262748499 531059603 /nfs/dbraw/zinc/05/96/03/531059603.db2.gz MKBVYKQZEYPINI-JTQLQIEISA-N 1 0 390.849 0.724 20 5 GCBDRO O=C(C[C@H]1CSCC[NH2+]1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262823114 531071986 /nfs/dbraw/zinc/07/19/86/531071986.db2.gz SWOKMOWVYHRIPM-NSHDSACASA-N 1 0 388.471 0.084 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000737114067 598530620 /nfs/dbraw/zinc/53/06/20/598530620.db2.gz CECSOQSJSRECRA-SNVBAGLBSA-N 1 0 385.388 0.812 20 5 GCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821575610 606706920 /nfs/dbraw/zinc/70/69/20/606706920.db2.gz IXDLYVKMPMLNNX-GFCCVEGCSA-N 1 0 389.420 0.525 20 5 GCBDRO C[N@@H+]1CCO[C@H]2CN(c3cc(-c4nn[nH]n4)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000821628312 606727191 /nfs/dbraw/zinc/72/71/91/606727191.db2.gz FXRLWRRRCSMRLI-CABCVRRESA-N 1 0 382.384 0.842 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000841217462 638710773 /nfs/dbraw/zinc/71/07/73/638710773.db2.gz OOHZJIJQKQYAAM-VIFPVBQESA-N 1 0 387.190 0.482 20 5 GCBDRO C[NH+](C)CCNC(=S)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000018945920 638716704 /nfs/dbraw/zinc/71/67/04/638716704.db2.gz SZKQMXLJLQWYHD-UHFFFAOYSA-N 1 0 389.503 0.436 20 5 GCBDRO C[NH+]1CCC(NC(=S)NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000920306737 639919400 /nfs/dbraw/zinc/91/94/00/639919400.db2.gz ANHJJVRMNQAWMN-UHFFFAOYSA-N 1 0 388.475 0.127 20 5 GCBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C[NH+](C)C ZINC000751963711 640397762 /nfs/dbraw/zinc/39/77/62/640397762.db2.gz QIVFRLLRKGSFBH-CQSZACIVSA-N 1 0 376.435 0.501 20 5 GCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)c1 ZINC000819033937 641926766 /nfs/dbraw/zinc/92/67/66/641926766.db2.gz KFMHXGDSSIRFQL-AWEZNQCLSA-N 1 0 375.472 0.596 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1Br ZINC000842483702 642337857 /nfs/dbraw/zinc/33/78/57/642337857.db2.gz QJBAZJWBQSHROU-QMMMGPOBSA-N 1 0 380.220 0.624 20 5 GCBDRO CN(CC(=O)N[C@@H](CO)C[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854463761 642830071 /nfs/dbraw/zinc/83/00/71/642830071.db2.gz GAKWKEAWMFYUJG-LLVKDONJSA-N 1 0 389.250 0.832 20 5 GCBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000858626235 642962983 /nfs/dbraw/zinc/96/29/83/642962983.db2.gz WMIAWVQXOPOTSJ-UHFFFAOYSA-N 1 0 376.391 0.287 20 5 GCBDRO C[NH+](C)C1(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000511918502 1192207546 /nfs/dbraw/zinc/20/75/46/1192207546.db2.gz FOBCTVVQNITIBU-UHFFFAOYSA-N 1 0 393.444 0.621 20 5 GCBDRO CC[NH+](CC)CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000481646598 1192313117 /nfs/dbraw/zinc/31/31/17/1192313117.db2.gz PGYZPQZXYHRLIC-GFCCVEGCSA-N 1 0 387.462 0.299 20 5 GCBDRO C[C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000265044241 1192351907 /nfs/dbraw/zinc/35/19/07/1192351907.db2.gz AGXQHLBXULODAE-OAHLLOKOSA-N 1 0 391.472 0.714 20 5 GCBDRO CC[NH2+][C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418602696 1192409897 /nfs/dbraw/zinc/40/98/97/1192409897.db2.gz NTIDNGJEVNCAEW-CYBMUJFWSA-N 1 0 399.473 0.609 20 5 GCBDRO CN1CC[NH+](CCCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000125952809 1192410891 /nfs/dbraw/zinc/41/08/91/1192410891.db2.gz SGVZPOFQECLHAK-UHFFFAOYSA-N 1 0 387.444 0.933 20 5 GCBDRO [NH3+]Cc1cn([C@H]2CCCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)nn1 ZINC000570718275 1192413897 /nfs/dbraw/zinc/41/38/97/1192413897.db2.gz WTFUDBSXYBWHJL-HNNXBMFYSA-N 1 0 397.399 0.703 20 5 GCBDRO 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C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000579470188 1185098790 /nfs/dbraw/zinc/09/87/90/1185098790.db2.gz YGCDGULVVUJZBV-CHWSQXEVSA-N 1 0 399.473 0.737 20 5 GCBDRO C[NH2+][C@@H](C)Cc1noc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000261616129 1185214174 /nfs/dbraw/zinc/21/41/74/1185214174.db2.gz BIUJVVSRJRFFLW-VIFPVBQESA-N 1 0 384.418 0.430 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261645912 1185221948 /nfs/dbraw/zinc/22/19/48/1185221948.db2.gz FCMGYDDLHHIALG-XJKCOSOUSA-N 1 0 396.469 0.944 20 5 GCBDRO CCC[NH2+]CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261677030 1185228798 /nfs/dbraw/zinc/22/87/98/1185228798.db2.gz QBOVGTOXBSQFNT-HNNXBMFYSA-N 1 0 384.458 0.864 20 5 GCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261777723 1185256195 /nfs/dbraw/zinc/25/61/95/1185256195.db2.gz HEBVFQPFRWNXQG-DZGCQCFKSA-N 1 0 378.433 0.288 20 5 GCBDRO 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OOXCNJJPCKOWOM-CYBMUJFWSA-N 1 0 385.442 0.994 20 5 GCBDRO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000582660293 1186601674 /nfs/dbraw/zinc/60/16/74/1186601674.db2.gz FHKJOHMGVRVLTK-AEFFLSMTSA-N 1 0 387.440 0.976 20 5 GCBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000582715679 1186623344 /nfs/dbraw/zinc/62/33/44/1186623344.db2.gz KJDQIOHRTXKKFV-AWEZNQCLSA-N 1 0 390.444 0.144 20 5 GCBDRO C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000582725416 1186626825 /nfs/dbraw/zinc/62/68/25/1186626825.db2.gz UZQGYBSKFRDHDE-DOMZBBRYSA-N 1 0 384.458 0.992 20 5 GCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000611835970 1186656123 /nfs/dbraw/zinc/65/61/23/1186656123.db2.gz DKIJHAURCHHDCW-OAHLLOKOSA-N 1 0 378.429 0.860 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1CC[NH2+]CC1 ZINC000583073853 1186764954 /nfs/dbraw/zinc/76/49/54/1186764954.db2.gz DNFRLICFMBCLQA-UHFFFAOYSA-N 1 0 385.446 0.172 20 5 GCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000458397827 1186778418 /nfs/dbraw/zinc/77/84/18/1186778418.db2.gz FFRDTTRXWKQEFG-OCCSQVGLSA-N 1 0 397.457 0.219 20 5 GCBDRO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583426931 1186851269 /nfs/dbraw/zinc/85/12/69/1186851269.db2.gz YHZPHTLZNXLJTM-UHFFFAOYSA-N 1 0 392.460 0.439 20 5 GCBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000278268268 1186863597 /nfs/dbraw/zinc/86/35/97/1186863597.db2.gz IVMWNBFGZGJFCA-BZUAXINKSA-N 1 0 384.429 0.680 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888991016 1186902420 /nfs/dbraw/zinc/90/24/20/1186902420.db2.gz MMXAXXIOULGFJZ-AWEZNQCLSA-N 1 0 381.481 0.533 20 5 GCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000583632331 1186903716 /nfs/dbraw/zinc/90/37/16/1186903716.db2.gz VNIBYRPCCIVCGO-KDOFPFPSSA-N 1 0 375.429 0.770 20 5 GCBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000178953236 1186918230 /nfs/dbraw/zinc/91/82/30/1186918230.db2.gz YPDCQSXFHUIXGQ-HNNXBMFYSA-N 1 0 384.502 0.940 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000583688008 1186919175 /nfs/dbraw/zinc/91/91/75/1186919175.db2.gz AVUYDYAFUXJJTA-UHFFFAOYSA-N 1 0 389.456 0.993 20 5 GCBDRO O=C(NCc1nnc(C2CC[NH2+]CC2)[nH]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584107936 1186999402 /nfs/dbraw/zinc/99/94/02/1186999402.db2.gz BVCWTKRVBCXJQV-UHFFFAOYSA-N 1 0 387.400 0.113 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052867951 1187014113 /nfs/dbraw/zinc/01/41/13/1187014113.db2.gz VOQWHBBVBUXNRP-UHFFFAOYSA-N 1 0 398.485 0.989 20 5 GCBDRO O=c1n(CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc2n1CCCC2 ZINC000584405542 1187052870 /nfs/dbraw/zinc/05/28/70/1187052870.db2.gz NMOCIQXHYYJHOU-AWEZNQCLSA-N 1 0 391.428 0.709 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000584411438 1187055193 /nfs/dbraw/zinc/05/51/93/1187055193.db2.gz OPPBDYVEALDOJX-CHWSQXEVSA-N 1 0 384.458 0.897 20 5 GCBDRO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000375778492 1187149082 /nfs/dbraw/zinc/14/90/82/1187149082.db2.gz STSKTVROZCXHCA-ZBFHGGJFSA-N 1 0 384.458 0.538 20 5 GCBDRO COCCNC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612058442 1187246879 /nfs/dbraw/zinc/24/68/79/1187246879.db2.gz GQKYTNSBBGKLQF-OAHLLOKOSA-N 1 0 381.429 0.809 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(=O)N1CCN(C)CC1 ZINC000065792193 1187301934 /nfs/dbraw/zinc/30/19/34/1187301934.db2.gz UHHLMBLOJPNGHA-UHFFFAOYSA-N 1 0 384.458 0.600 20 5 GCBDRO CC(=O)N1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236625390 1187504914 /nfs/dbraw/zinc/50/49/14/1187504914.db2.gz MVWCGIDSCBAXEL-HNNXBMFYSA-N 1 0 375.429 0.827 20 5 GCBDRO COc1ccc(CC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC000570079728 1187515492 /nfs/dbraw/zinc/51/54/92/1187515492.db2.gz SGUBZENDKFYULI-CQSZACIVSA-N 1 0 378.429 0.992 20 5 GCBDRO NS(=O)(=O)c1cccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000612654799 1187550326 /nfs/dbraw/zinc/55/03/26/1187550326.db2.gz XQUDQGHYFIDWLR-ZDUSSCGKSA-N 1 0 384.458 0.933 20 5 GCBDRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000579937203 1187651556 /nfs/dbraw/zinc/65/15/56/1187651556.db2.gz LBVOMIKBDJFQOG-UHFFFAOYSA-N 1 0 377.445 0.748 20 5 GCBDRO O=Cc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000376215079 1187686280 /nfs/dbraw/zinc/68/62/80/1187686280.db2.gz CUHDLLTZCRCMMF-ZBFHGGJFSA-N 1 0 377.397 0.844 20 5 GCBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000580768892 1187699298 /nfs/dbraw/zinc/69/92/98/1187699298.db2.gz BTASBSQFZOCZCM-CYBMUJFWSA-N 1 0 381.410 0.772 20 5 GCBDRO CN(CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000581277908 1187711507 /nfs/dbraw/zinc/71/15/07/1187711507.db2.gz KNNLPQQTVIVHGZ-KRWDZBQOSA-N 1 0 389.456 0.842 20 5 GCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000472535399 1187724955 /nfs/dbraw/zinc/72/49/55/1187724955.db2.gz AKAUKLSXLLGCGX-UHFFFAOYSA-N 1 0 393.419 0.912 20 5 GCBDRO C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000582197236 1187735096 /nfs/dbraw/zinc/73/50/96/1187735096.db2.gz VUGJVYZPYXCPNA-JTQLQIEISA-N 1 0 399.835 0.161 20 5 GCBDRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472544850 1187753493 /nfs/dbraw/zinc/75/34/93/1187753493.db2.gz FJACMZLEONLXCU-UHFFFAOYSA-N 1 0 381.408 0.815 20 5 GCBDRO CN1CCN(C(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)[C@H](C[NH3+])C1 ZINC000162348660 1187845318 /nfs/dbraw/zinc/84/53/18/1187845318.db2.gz BZFXRWMQNJELIA-CYBMUJFWSA-N 1 0 377.401 0.384 20 5 GCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000583082590 1187848812 /nfs/dbraw/zinc/84/88/12/1187848812.db2.gz HRHQTJDBGRHERR-NVXWUHKLSA-N 1 0 387.440 0.884 20 5 GCBDRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000472603728 1187873942 /nfs/dbraw/zinc/87/39/42/1187873942.db2.gz XWIUVTJDWMPLDJ-LBPRGKRZSA-N 1 0 381.408 0.672 20 5 GCBDRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1C ZINC000414388146 1187884545 /nfs/dbraw/zinc/88/45/45/1187884545.db2.gz BNVOGEFMDFKLFH-UHFFFAOYSA-N 1 0 382.446 0.462 20 5 GCBDRO CN1CCC([NH+]2CCC(NC(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000150903897 1187915750 /nfs/dbraw/zinc/91/57/50/1187915750.db2.gz PYVGTPFUCIFDGQ-UHFFFAOYSA-N 1 0 379.465 0.649 20 5 GCBDRO Cn1cc(C[NH2+]CC2CN(S(C)(=O)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189707794 1187956684 /nfs/dbraw/zinc/95/66/84/1187956684.db2.gz FPGZRRMXBFLBGE-UHFFFAOYSA-N 1 0 379.442 0.976 20 5 GCBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000415371368 1188064158 /nfs/dbraw/zinc/06/41/58/1188064158.db2.gz GBEOGYROZYFFED-GFCCVEGCSA-N 1 0 378.385 0.839 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[C@@H]1[NH3+] ZINC000415439945 1188081207 /nfs/dbraw/zinc/08/12/07/1188081207.db2.gz DTUOXMSUSLXIMB-QWRGUYRKSA-N 1 0 378.385 0.890 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415453511 1188084053 /nfs/dbraw/zinc/08/40/53/1188084053.db2.gz LONSVJRTKKOEGM-BXKDBHETSA-N 1 0 378.385 0.824 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415515715 1188096425 /nfs/dbraw/zinc/09/64/25/1188096425.db2.gz DPEGJMQWYMUKNZ-ONGXEEELSA-N 1 0 378.385 0.824 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@@H](C)C[NH2+]1 ZINC000415554133 1188105910 /nfs/dbraw/zinc/10/59/10/1188105910.db2.gz AAQJLUOVGNLMMJ-QWRGUYRKSA-N 1 0 378.385 0.903 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415895321 1189400059 /nfs/dbraw/zinc/40/00/59/1189400059.db2.gz PJSQJVZXYNQFJC-NWDGAFQWSA-N 1 0 390.396 0.763 20 5 GCBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000103122421 1189410516 /nfs/dbraw/zinc/41/05/16/1189410516.db2.gz RCEXCWBPXQLWIZ-UHFFFAOYSA-N 1 0 386.412 0.851 20 5 GCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103121354 1189410874 /nfs/dbraw/zinc/41/08/74/1189410874.db2.gz FBXMDCUGEMPTFH-UHFFFAOYSA-N 1 0 375.429 0.773 20 5 GCBDRO CN(C(=O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000103150780 1189412688 /nfs/dbraw/zinc/41/26/88/1189412688.db2.gz FYIOQOXVKNRTBI-UHFFFAOYSA-N 1 0 389.456 0.798 20 5 GCBDRO CN(C(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000378430112 1189503789 /nfs/dbraw/zinc/50/37/89/1189503789.db2.gz MSQSYSVUCGMOPE-UHFFFAOYSA-N 1 0 392.456 0.717 20 5 GCBDRO C[NH+]1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000416597221 1189559988 /nfs/dbraw/zinc/55/99/88/1189559988.db2.gz ZQFVUPXVXSNHRY-UHFFFAOYSA-N 1 0 398.485 0.670 20 5 GCBDRO [NH3+]CCN(CCO)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416881773 1189591398 /nfs/dbraw/zinc/59/13/98/1189591398.db2.gz HQRCTKDIBILVHJ-UHFFFAOYSA-N 1 0 379.339 0.988 20 5 GCBDRO C[NH+]1CCC(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000412467613 1189627871 /nfs/dbraw/zinc/62/78/71/1189627871.db2.gz USZYYVCEKSGRNW-UHFFFAOYSA-N 1 0 379.417 0.222 20 5 GCBDRO COc1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000417199786 1189630785 /nfs/dbraw/zinc/63/07/85/1189630785.db2.gz YXHQGNBINULFPY-ZDUSSCGKSA-N 1 0 379.417 0.600 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417264838 1189638812 /nfs/dbraw/zinc/63/88/12/1189638812.db2.gz AFVZXJRFKARASJ-DOMZBBRYSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417285715 1189639804 /nfs/dbraw/zinc/63/98/04/1189639804.db2.gz URJASPWTBAIIRR-CYBMUJFWSA-N 1 0 399.473 0.705 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]C1 ZINC000417289283 1189640724 /nfs/dbraw/zinc/64/07/24/1189640724.db2.gz ZPMMVLBADOTNQE-LBPRGKRZSA-N 1 0 385.446 0.172 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417288196 1189640853 /nfs/dbraw/zinc/64/08/53/1189640853.db2.gz XZEPLRGGYTWFSR-IUODEOHRSA-N 1 0 397.457 0.267 20 5 GCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289318 1189640878 /nfs/dbraw/zinc/64/08/78/1189640878.db2.gz ZVTBVNHOOXABDQ-NEPJUHHUSA-N 1 0 385.446 0.252 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000417302385 1189641270 /nfs/dbraw/zinc/64/12/70/1189641270.db2.gz BFXOAHGXXSPDHV-OAHLLOKOSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307063 1189644022 /nfs/dbraw/zinc/64/40/22/1189644022.db2.gz DKPOEHQGORNSAN-RISCZKNCSA-N 1 0 385.446 0.170 20 5 GCBDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417306984 1189644025 /nfs/dbraw/zinc/64/40/25/1189644025.db2.gz BFWQJFDDVTYDRD-AWEZNQCLSA-N 1 0 399.473 0.657 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@H]1CC[NH2+]C1 ZINC000417309719 1189644698 /nfs/dbraw/zinc/64/46/98/1189644698.db2.gz FKDCXJJKJUMMFM-GFCCVEGCSA-N 1 0 385.446 0.172 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417328803 1189645639 /nfs/dbraw/zinc/64/56/39/1189645639.db2.gz SQEYQQZNWBWPHP-CHWSQXEVSA-N 1 0 399.473 0.690 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417328805 1189646011 /nfs/dbraw/zinc/64/60/11/1189646011.db2.gz SQEYQQZNWBWPHP-OLZOCXBDSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417320978 1189646889 /nfs/dbraw/zinc/64/68/89/1189646889.db2.gz KYMUYIGXFMHWPO-OCCSQVGLSA-N 1 0 399.473 0.642 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417319600 1189646915 /nfs/dbraw/zinc/64/69/15/1189646915.db2.gz HZAVPRCREFNMAG-RYUDHWBXSA-N 1 0 385.446 0.313 20 5 GCBDRO C[C@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000417320120 1189646916 /nfs/dbraw/zinc/64/69/16/1189646916.db2.gz IVQUQQMKGRXKJR-VXGBXAGGSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417333787 1189648749 /nfs/dbraw/zinc/64/87/49/1189648749.db2.gz ZDGGDPLYVRFUIV-SMDDNHRTSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337877 1189649337 /nfs/dbraw/zinc/64/93/37/1189649337.db2.gz JMEUAANXQQXJPD-NWDGAFQWSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000417675409 1189695306 /nfs/dbraw/zinc/69/53/06/1189695306.db2.gz BWPKEVVYSXWROS-QWHCGFSZSA-N 1 0 399.473 0.499 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417678252 1189696007 /nfs/dbraw/zinc/69/60/07/1189696007.db2.gz JGTSLNPMFDVEFL-STQMWFEESA-N 1 0 397.457 0.124 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417683545 1189696135 /nfs/dbraw/zinc/69/61/35/1189696135.db2.gz UXGIVOQAWCRMRR-MRXNPFEDSA-N 1 0 397.457 0.268 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417678250 1189696250 /nfs/dbraw/zinc/69/62/50/1189696250.db2.gz JGTSLNPMFDVEFL-OLZOCXBDSA-N 1 0 397.457 0.124 20 5 GCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689470 1189696701 /nfs/dbraw/zinc/69/67/01/1189696701.db2.gz GLZNJRWOPMKPIN-LBPRGKRZSA-N 1 0 387.462 0.546 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417688785 1189696856 /nfs/dbraw/zinc/69/68/56/1189696856.db2.gz FBOMDLWDLJAFAN-OLZOCXBDSA-N 1 0 399.473 0.784 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690111 1189696868 /nfs/dbraw/zinc/69/68/68/1189696868.db2.gz HEYLPRXTBKDLKO-QWHCGFSZSA-N 1 0 399.473 0.642 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000053514468 1189732754 /nfs/dbraw/zinc/73/27/54/1189732754.db2.gz AKASCFHIKZWDPO-UHFFFAOYSA-N 1 0 399.473 0.646 20 5 GCBDRO C[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000418281008 1189745743 /nfs/dbraw/zinc/74/57/43/1189745743.db2.gz UAOXGUXFFUSYNK-UHFFFAOYSA-N 1 0 399.473 0.529 20 5 GCBDRO CC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418326595 1189759550 /nfs/dbraw/zinc/75/95/50/1189759550.db2.gz ONDIKNCWOGNQEP-UHFFFAOYSA-N 1 0 385.446 0.220 20 5 GCBDRO COCC[NH2+]CCNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418515829 1189812596 /nfs/dbraw/zinc/81/25/96/1189812596.db2.gz YTGUVKVDVWQEBP-UHFFFAOYSA-N 1 0 379.417 0.298 20 5 GCBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418531078 1189818198 /nfs/dbraw/zinc/81/81/98/1189818198.db2.gz RJQDPOBRCQDIMR-GFCCVEGCSA-N 1 0 399.473 0.567 20 5 GCBDRO NC(=O)CC1CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000124867336 1189918929 /nfs/dbraw/zinc/91/89/29/1189918929.db2.gz LUEOEHBXOMDGGB-UHFFFAOYSA-N 1 0 389.456 0.831 20 5 GCBDRO CC[NH+]1CCN(CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000109113202 1190053593 /nfs/dbraw/zinc/05/35/93/1190053593.db2.gz PVJLLLBIJRJITP-UHFFFAOYSA-N 1 0 377.445 0.468 20 5 GCBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000433144674 1193765102 /nfs/dbraw/zinc/76/51/02/1193765102.db2.gz DDFZCILTOCAIMZ-HNNXBMFYSA-N 1 0 384.458 0.659 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000576346146 1193860473 /nfs/dbraw/zinc/86/04/73/1193860473.db2.gz IKPOPKHOBMVPOL-BETUJISGSA-N 1 0 382.442 0.473 20 5 GCBDRO NC(=O)c1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000279973860 1193917678 /nfs/dbraw/zinc/91/76/78/1193917678.db2.gz DEAVLXADOYOAEB-UHFFFAOYSA-N 1 0 376.413 0.765 20 5 GCBDRO CS(=O)(=O)C1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]CC1 ZINC000261963661 1193933205 /nfs/dbraw/zinc/93/32/05/1193933205.db2.gz AHMPEOLFLXSEDI-UHFFFAOYSA-N 1 0 396.469 0.410 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262030508 1193936803 /nfs/dbraw/zinc/93/68/03/1193936803.db2.gz DZCJVKJDVCNSCD-CYBMUJFWSA-N 1 0 386.412 0.708 20 5 GCBDRO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000576754368 1193944996 /nfs/dbraw/zinc/94/49/96/1193944996.db2.gz OIXHYZVQQRISCX-RYUDHWBXSA-N 1 0 399.473 0.059 20 5 GCBDRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513647257 1193969249 /nfs/dbraw/zinc/96/92/49/1193969249.db2.gz FYJLPURCBJEVAK-UHFFFAOYSA-N 1 0 385.442 0.575 20 5 GCBDRO O=C(NCCN1CC=CCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280482529 1194000131 /nfs/dbraw/zinc/00/01/31/1194000131.db2.gz DREXEDMUMJQZRZ-UHFFFAOYSA-N 1 0 382.442 0.930 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000419455284 1194033239 /nfs/dbraw/zinc/03/32/39/1194033239.db2.gz ONSXRSYUQCOMPP-CQSZACIVSA-N 1 0 393.444 0.398 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419455659 1194033351 /nfs/dbraw/zinc/03/33/51/1194033351.db2.gz PVYVRRQEMLMAGT-DZGCQCFKSA-N 1 0 377.445 0.936 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419457779 1194033743 /nfs/dbraw/zinc/03/37/43/1194033743.db2.gz AFXRGWMNABRHIR-ZFWWWQNUSA-N 1 0 378.433 0.288 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419453037 1194038329 /nfs/dbraw/zinc/03/83/29/1194038329.db2.gz IDKHYFPMVTXLHO-KGLIPLIRSA-N 1 0 377.445 0.936 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419453039 1194038491 /nfs/dbraw/zinc/03/84/91/1194038491.db2.gz IDKHYFPMVTXLHO-ZIAGYGMSSA-N 1 0 377.445 0.936 20 5 GCBDRO O=C(NCC[NH+]1CCC1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000501063149 1194046030 /nfs/dbraw/zinc/04/60/30/1194046030.db2.gz GGBDZDOHUZKEED-OAHLLOKOSA-N 1 0 382.442 0.570 20 5 GCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000366447803 1194080687 /nfs/dbraw/zinc/08/06/87/1194080687.db2.gz ALELVILPWRIAQG-LJISPDSOSA-N 1 0 380.426 0.082 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000419780117 1194104772 /nfs/dbraw/zinc/10/47/72/1194104772.db2.gz NVQAAZVSEXIPRF-GFCCVEGCSA-N 1 0 390.318 0.416 20 5 GCBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419793282 1194105067 /nfs/dbraw/zinc/10/50/67/1194105067.db2.gz YWOJDYMIPPSPLA-GFCCVEGCSA-N 1 0 390.318 0.334 20 5 GCBDRO [NH3+]CCNC(=O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000419819886 1194109868 /nfs/dbraw/zinc/10/98/68/1194109868.db2.gz QVFTYGVTRXOENQ-UHFFFAOYSA-N 1 0 389.334 0.337 20 5 GCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000419850444 1194115594 /nfs/dbraw/zinc/11/55/94/1194115594.db2.gz GGKVISHDCOQDCG-CQSZACIVSA-N 1 0 377.445 0.492 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000419834501 1194117246 /nfs/dbraw/zinc/11/72/46/1194117246.db2.gz SJVFCQHSGVKZDI-UHFFFAOYSA-N 1 0 393.444 0.497 20 5 GCBDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419856627 1194122480 /nfs/dbraw/zinc/12/24/80/1194122480.db2.gz JGOOKNZFOVFZQQ-AWEZNQCLSA-N 1 0 375.429 0.359 20 5 GCBDRO C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CCC[NH2+]C1 ZINC000419879638 1194131402 /nfs/dbraw/zinc/13/14/02/1194131402.db2.gz GRSSRKVHGLMFFK-KBPBESRZSA-N 1 0 390.444 0.143 20 5 GCBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419921415 1194139320 /nfs/dbraw/zinc/13/93/20/1194139320.db2.gz XZCZRKLMDCYSRR-CQSZACIVSA-N 1 0 375.429 0.359 20 5 GCBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419930221 1194140260 /nfs/dbraw/zinc/14/02/60/1194140260.db2.gz AMDBDPDEPHSKHX-CQSZACIVSA-N 1 0 375.429 0.502 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000419965452 1194148622 /nfs/dbraw/zinc/14/86/22/1194148622.db2.gz JTUJGVZFFUUBNL-OAHLLOKOSA-N 1 0 392.460 0.979 20 5 GCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420020122 1194157807 /nfs/dbraw/zinc/15/78/07/1194157807.db2.gz RREXBLJSIQZFJI-QMMMGPOBSA-N 1 0 377.323 0.605 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000420030098 1194160435 /nfs/dbraw/zinc/16/04/35/1194160435.db2.gz PEXXAXXGLHVZDA-LBPRGKRZSA-N 1 0 379.417 0.106 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000420073980 1194172636 /nfs/dbraw/zinc/17/26/36/1194172636.db2.gz PQCPNMQDFRYHFC-MRXNPFEDSA-N 1 0 376.413 0.818 20 5 GCBDRO C[C@]1(CNC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000420093144 1194182815 /nfs/dbraw/zinc/18/28/15/1194182815.db2.gz GPHGUTGFHXNEAU-IBGZPJMESA-N 1 0 389.456 0.749 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000420122229 1194187821 /nfs/dbraw/zinc/18/78/21/1194187821.db2.gz LGNRRWQBRWHBDM-KGLIPLIRSA-N 1 0 375.429 0.500 20 5 GCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420139382 1194188205 /nfs/dbraw/zinc/18/82/05/1194188205.db2.gz HUPRXAFWNCNCSX-VIFPVBQESA-N 1 0 391.350 0.866 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000420142129 1194192875 /nfs/dbraw/zinc/19/28/75/1194192875.db2.gz ZSUQSUJVLDGWMH-KBPBESRZSA-N 1 0 375.429 0.500 20 5 GCBDRO C[NH+]1CCC(CNc2c(C(N)=O)cccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000420657542 1194252461 /nfs/dbraw/zinc/25/24/61/1194252461.db2.gz WVPOOIOKOJWIRT-UHFFFAOYSA-N 1 0 377.445 0.902 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366946864 1194336727 /nfs/dbraw/zinc/33/67/27/1194336727.db2.gz UIWNZFXXUUDVEA-UONOGXRCSA-N 1 0 392.412 0.911 20 5 GCBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502815926 1194359341 /nfs/dbraw/zinc/35/93/41/1194359341.db2.gz XKIZSBCXTMPRII-CYBMUJFWSA-N 1 0 399.473 0.609 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413916650 1194360364 /nfs/dbraw/zinc/36/03/64/1194360364.db2.gz JBRFGXUQZLTIPM-OCCSQVGLSA-N 1 0 392.412 0.276 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000413922749 1194362906 /nfs/dbraw/zinc/36/29/06/1194362906.db2.gz QBRLSRUAPVHZEX-CQSZACIVSA-N 1 0 392.412 0.278 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000280764913 1194372178 /nfs/dbraw/zinc/37/21/78/1194372178.db2.gz BHENKRZMLLDCKI-LBPRGKRZSA-N 1 0 382.442 0.474 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000422030739 1194378291 /nfs/dbraw/zinc/37/82/91/1194378291.db2.gz ZZPPRZXLAWLQFA-GFCCVEGCSA-N 1 0 399.473 0.597 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000422312981 1194610869 /nfs/dbraw/zinc/61/08/69/1194610869.db2.gz CGRUBJHDCJRFRS-ZIAGYGMSSA-N 1 0 390.444 0.237 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000422312978 1194611041 /nfs/dbraw/zinc/61/10/41/1194611041.db2.gz CGRUBJHDCJRFRS-KBPBESRZSA-N 1 0 390.444 0.237 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000422921890 1194708434 /nfs/dbraw/zinc/70/84/34/1194708434.db2.gz PJHVLYODAIYJNZ-INIZCTEOSA-N 1 0 396.469 0.864 20 5 GCBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000422925433 1194708453 /nfs/dbraw/zinc/70/84/53/1194708453.db2.gz VEMORFPMPCGVAO-CZUORRHYSA-N 1 0 396.469 0.816 20 5 GCBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000422932831 1194709269 /nfs/dbraw/zinc/70/92/69/1194709269.db2.gz GXFYUWJOYPWMPT-MRXNPFEDSA-N 1 0 396.469 0.774 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422938353 1194709934 /nfs/dbraw/zinc/70/99/34/1194709934.db2.gz PLBNRGYVYLGIOK-HOTGVXAUSA-N 1 0 384.458 0.230 20 5 GCBDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000422941289 1194710401 /nfs/dbraw/zinc/71/04/01/1194710401.db2.gz UXULEYNAQWKUSY-FZMZJTMJSA-N 1 0 384.458 0.915 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000422988576 1194713169 /nfs/dbraw/zinc/71/31/69/1194713169.db2.gz JHQAUWNHPRUPKX-HUUCEWRRSA-N 1 0 387.440 0.311 20 5 GCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422988693 1194713333 /nfs/dbraw/zinc/71/33/33/1194713333.db2.gz JUCUOWOZBVFFMY-HNNXBMFYSA-N 1 0 389.456 0.831 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422990291 1194713646 /nfs/dbraw/zinc/71/36/46/1194713646.db2.gz NEBGFLKWPXUNSV-HUUCEWRRSA-N 1 0 389.456 0.829 20 5 GCBDRO CC1(C)CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000422991581 1194713773 /nfs/dbraw/zinc/71/37/73/1194713773.db2.gz PVEPHFMRQMGQQU-UHFFFAOYSA-N 1 0 375.429 0.454 20 5 GCBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422990299 1194713778 /nfs/dbraw/zinc/71/37/78/1194713778.db2.gz NGGYUBINDIJSBY-UHFFFAOYSA-N 1 0 377.445 0.687 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCO1 ZINC000423097131 1194727372 /nfs/dbraw/zinc/72/73/72/1194727372.db2.gz ISEOKLBXJLTJEW-HNNXBMFYSA-N 1 0 376.413 0.662 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[C@@H]1[NH3+] ZINC000423147555 1194731168 /nfs/dbraw/zinc/73/11/68/1194731168.db2.gz CVOFVRHUBMXXBN-CJNGLKHVSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423152265 1194731653 /nfs/dbraw/zinc/73/16/53/1194731653.db2.gz LKQOADCVMMCYFI-UONOGXRCSA-N 1 0 375.429 0.439 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423153330 1194731993 /nfs/dbraw/zinc/73/19/93/1194731993.db2.gz NDQAZMGEYOKDTL-WMLDXEAASA-N 1 0 387.440 0.454 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423160541 1194734134 /nfs/dbraw/zinc/73/41/34/1194734134.db2.gz ZOWWXFZEVGCBGO-LSDHHAIUSA-N 1 0 387.440 0.311 20 5 GCBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000423582961 1194770496 /nfs/dbraw/zinc/77/04/96/1194770496.db2.gz BMGGIQVKNWVCFW-ZDUSSCGKSA-N 1 0 390.444 0.224 20 5 GCBDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H]1C[NH3+] ZINC000423597083 1194775239 /nfs/dbraw/zinc/77/52/39/1194775239.db2.gz SRDMNHKQUNOKNV-ZIAGYGMSSA-N 1 0 390.444 0.082 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423627212 1194778573 /nfs/dbraw/zinc/77/85/73/1194778573.db2.gz HBPAXZGFTKHWSI-ZIAGYGMSSA-N 1 0 375.429 0.439 20 5 GCBDRO CCCN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423668412 1194782489 /nfs/dbraw/zinc/78/24/89/1194782489.db2.gz VSWGJEGMTBRQAS-QGZVFWFLSA-N 1 0 389.456 0.844 20 5 GCBDRO CN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC[NH2+]CC1 ZINC000423693067 1194783211 /nfs/dbraw/zinc/78/32/11/1194783211.db2.gz RIVYTWZSZDZNON-UHFFFAOYSA-N 1 0 375.429 0.454 20 5 GCBDRO CN(C(=O)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000423690913 1194786448 /nfs/dbraw/zinc/78/64/48/1194786448.db2.gz ZGBLRZHFWIYDRP-KBMXLJTQSA-N 1 0 376.413 0.092 20 5 GCBDRO CN(CC(=O)N[C@@H](C[NH3+])C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423971019 1194797805 /nfs/dbraw/zinc/79/78/05/1194797805.db2.gz XWZODBCMEYAOKF-HNNXBMFYSA-N 1 0 384.458 0.849 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000423998463 1194797896 /nfs/dbraw/zinc/79/78/96/1194797896.db2.gz ZPRIJJMVJWOEJY-HOCLYGCPSA-N 1 0 376.413 0.612 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424230208 1194806448 /nfs/dbraw/zinc/80/64/48/1194806448.db2.gz ZLSTYWIZDGKTSL-MJBXVCDLSA-N 1 0 390.448 0.514 20 5 GCBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424462905 1194813238 /nfs/dbraw/zinc/81/32/38/1194813238.db2.gz NDNZVHNMKKLZMD-VXGBXAGGSA-N 1 0 385.446 0.442 20 5 GCBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424453630 1194815060 /nfs/dbraw/zinc/81/50/60/1194815060.db2.gz LRBDWCACTHQDQV-ZIAGYGMSSA-N 1 0 385.446 0.442 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000424538088 1194820423 /nfs/dbraw/zinc/82/04/23/1194820423.db2.gz CACIQUXOMFOCOI-BYCMXARLSA-N 1 0 386.412 0.459 20 5 GCBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000434729128 1194864371 /nfs/dbraw/zinc/86/43/71/1194864371.db2.gz XFZUYQXJWDSBHJ-SJLPKXTDSA-N 1 0 393.440 0.686 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1=O ZINC000425317115 1194909652 /nfs/dbraw/zinc/90/96/52/1194909652.db2.gz MMSMFXHDPOCDFJ-CQSZACIVSA-N 1 0 382.392 0.643 20 5 GCBDRO CNc1c(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)cccc1[N+](=O)[O-] ZINC000425315725 1194911503 /nfs/dbraw/zinc/91/15/03/1194911503.db2.gz KTFHSYXWZCHSKF-CYBMUJFWSA-N 1 0 393.444 0.545 20 5 GCBDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000515347688 1194969629 /nfs/dbraw/zinc/96/96/29/1194969629.db2.gz IERYDXYRHPXNIC-CQSZACIVSA-N 1 0 383.430 0.192 20 5 GCBDRO CN(C(=O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000436061322 1194983012 /nfs/dbraw/zinc/98/30/12/1194983012.db2.gz UCOOZSQGRSAEED-MRXNPFEDSA-N 1 0 377.445 0.877 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425515145 1194996255 /nfs/dbraw/zinc/99/62/55/1194996255.db2.gz WPNCDSAZBUPPPB-LEWSCRJBSA-N 1 0 382.323 0.955 20 5 GCBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000516771683 1195093495 /nfs/dbraw/zinc/09/34/95/1195093495.db2.gz RJBYDNDMAVJQAH-XHBSWPGZSA-N 1 0 384.458 0.766 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000516817157 1195100543 /nfs/dbraw/zinc/10/05/43/1195100543.db2.gz OPBSKZTWYRDUEZ-UHFFFAOYSA-N 1 0 384.458 0.865 20 5 GCBDRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000517024935 1195125972 /nfs/dbraw/zinc/12/59/72/1195125972.db2.gz FQFVFRMNXLDNBN-ZIAGYGMSSA-N 1 0 389.412 0.772 20 5 GCBDRO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CC(C)C1 ZINC000517244459 1195162514 /nfs/dbraw/zinc/16/25/14/1195162514.db2.gz HMLLTNNFXITSMZ-CQSZACIVSA-N 1 0 396.469 0.768 20 5 GCBDRO Cn1cnnc1Sc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000517922002 1195229994 /nfs/dbraw/zinc/22/99/94/1195229994.db2.gz BIXPZVLZDHBDTP-GFCCVEGCSA-N 1 0 391.457 0.508 20 5 GCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000438920536 1195269385 /nfs/dbraw/zinc/26/93/85/1195269385.db2.gz NIPSNVSNOGYQMX-IBGZPJMESA-N 1 0 386.408 0.510 20 5 GCBDRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]C1 ZINC000518348297 1195280944 /nfs/dbraw/zinc/28/09/44/1195280944.db2.gz KUKJZXKYHWRMQZ-GOSISDBHSA-N 1 0 390.444 0.144 20 5 GCBDRO CCOc1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000518766069 1195328155 /nfs/dbraw/zinc/32/81/55/1195328155.db2.gz QKRPOZOIXOAWBL-UHFFFAOYSA-N 1 0 394.428 0.848 20 5 GCBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000518914907 1195346591 /nfs/dbraw/zinc/34/65/91/1195346591.db2.gz PGIOZQFWIGDBNO-HNNXBMFYSA-N 1 0 377.445 0.725 20 5 GCBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894546609 1195443850 /nfs/dbraw/zinc/44/38/50/1195443850.db2.gz HIPKFBJLQJYWIA-UHFFFAOYSA-N 1 0 375.429 0.903 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000426957866 1195495140 /nfs/dbraw/zinc/49/51/40/1195495140.db2.gz ZKGHAOJTHIALFH-GOSISDBHSA-N 1 0 388.428 0.728 20 5 GCBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000427293054 1195524523 /nfs/dbraw/zinc/52/45/23/1195524523.db2.gz XEFUWJZMFRJYBH-OKILXGFUSA-N 1 0 380.449 0.924 20 5 GCBDRO CN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000519764636 1195568237 /nfs/dbraw/zinc/56/82/37/1195568237.db2.gz BFGUQKXRIJVWAN-SGTLLEGYSA-N 1 0 389.412 0.997 20 5 GCBDRO O=C(NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000519765078 1195568297 /nfs/dbraw/zinc/56/82/97/1195568297.db2.gz JZPINLBWKRPMRZ-UHFFFAOYSA-N 1 0 379.398 0.178 20 5 GCBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000441298511 1195619821 /nfs/dbraw/zinc/61/98/21/1195619821.db2.gz AIIQSMMOSUKWPD-LBPRGKRZSA-N 1 0 388.446 0.487 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520764760 1195849470 /nfs/dbraw/zinc/84/94/70/1195849470.db2.gz DHKULKUKWSOSIQ-CQSZACIVSA-N 1 0 387.400 0.245 20 5 GCBDRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000441847223 1195925297 /nfs/dbraw/zinc/92/52/97/1195925297.db2.gz VDYNYVRVKNLUER-UHFFFAOYSA-N 1 0 396.400 0.389 20 5 GCBDRO 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COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000265807859 1199321738 /nfs/dbraw/zinc/32/17/38/1199321738.db2.gz KVQRNMKDOQYYBU-UHFFFAOYSA-N 1 0 380.401 0.505 20 5 GCBDRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC000114160130 1199374008 /nfs/dbraw/zinc/37/40/08/1199374008.db2.gz NSHSFDFIZYOJLO-OAHLLOKOSA-N 1 0 389.456 0.654 20 5 GCBDRO CNC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000301821187 1199396539 /nfs/dbraw/zinc/39/65/39/1199396539.db2.gz LWWLONAARGMGGD-OAHLLOKOSA-N 1 0 375.429 0.873 20 5 GCBDRO CN1CCN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])CC1=O ZINC000265836319 1199565702 /nfs/dbraw/zinc/56/57/02/1199565702.db2.gz MFCZLZJTLYEBTA-UHFFFAOYSA-N 1 0 399.473 0.103 20 5 GCBDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000265848343 1199659950 /nfs/dbraw/zinc/65/99/50/1199659950.db2.gz IUPWYQWQHVMPIK-OAHLLOKOSA-N 1 0 378.429 0.626 20 5 GCBDRO O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+]CC1 ZINC000082084844 1199708234 /nfs/dbraw/zinc/70/82/34/1199708234.db2.gz HORKSSTYRWIJNX-UHFFFAOYSA-N 1 0 375.410 0.880 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000124916460 1199860918 /nfs/dbraw/zinc/86/09/18/1199860918.db2.gz CPLZDLFIZGRTPC-CQSZACIVSA-N 1 0 377.445 0.467 20 5 GCBDRO CCCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000429100602 1199919179 /nfs/dbraw/zinc/91/91/79/1199919179.db2.gz PSXWRPRRYOXMGQ-CQSZACIVSA-N 1 0 384.458 0.864 20 5 GCBDRO CN(C(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131332112 1199924240 /nfs/dbraw/zinc/92/42/40/1199924240.db2.gz NPSBIAFFSAHOBF-KRWDZBQOSA-N 1 0 389.456 0.972 20 5 GCBDRO C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000429152624 1199956208 /nfs/dbraw/zinc/95/62/08/1199956208.db2.gz AVUDCLMPCNZCSZ-WFASDCNBSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000429168639 1199989092 /nfs/dbraw/zinc/98/90/92/1199989092.db2.gz DLXPHSGQLKOWPC-IAQYHMDHSA-N 1 0 399.473 0.630 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000429181159 1200054457 /nfs/dbraw/zinc/05/44/57/1200054457.db2.gz LNACRKOOXIKVHF-IUODEOHRSA-N 1 0 384.458 0.801 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000429186600 1200061029 /nfs/dbraw/zinc/06/10/29/1200061029.db2.gz HBFUHZMXQFCSIG-DAXOMENPSA-N 1 0 396.469 0.944 20 5 GCBDRO COc1ccc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000282492076 1200075274 /nfs/dbraw/zinc/07/52/74/1200075274.db2.gz JUIYKGPBGAJZKC-UHFFFAOYSA-N 1 0 386.474 0.908 20 5 GCBDRO Cc1nn(CCC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000171100622 1200184288 /nfs/dbraw/zinc/18/42/88/1200184288.db2.gz UPFKXANADOBLDZ-UHFFFAOYSA-N 1 0 394.476 0.715 20 5 GCBDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429231391 1200255626 /nfs/dbraw/zinc/25/56/26/1200255626.db2.gz GCORVSZEECOYSR-WFASDCNBSA-N 1 0 384.458 0.720 20 5 GCBDRO CCN(CC)C(=O)CN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173517455 1200346228 /nfs/dbraw/zinc/34/62/28/1200346228.db2.gz YIXDXHNELHGQGI-INIZCTEOSA-N 1 0 382.465 0.028 20 5 GCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041640318 1200388741 /nfs/dbraw/zinc/38/87/41/1200388741.db2.gz HRJGORMHHHOJMB-AWEZNQCLSA-N 1 0 377.445 0.984 20 5 GCBDRO CNc1nccc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000581199338 1200739348 /nfs/dbraw/zinc/73/93/48/1200739348.db2.gz HLUKZHFNRCSITL-UHFFFAOYSA-N 1 0 378.433 0.754 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429298003 1200746572 /nfs/dbraw/zinc/74/65/72/1200746572.db2.gz WHFBIYRKBRJOHT-WFASDCNBSA-N 1 0 384.458 0.897 20 5 GCBDRO C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000429399330 1200976601 /nfs/dbraw/zinc/97/66/01/1200976601.db2.gz BTLRTNUSPYCVEH-DVOMOZLQSA-N 1 0 396.469 0.957 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c([N+](=O)[O-])n1 ZINC000611105407 1201216711 /nfs/dbraw/zinc/21/67/11/1201216711.db2.gz KACRTBCVTJYSNY-ZDUSSCGKSA-N 1 0 386.478 0.212 20 5 GCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 ZINC000730788915 1201464664 /nfs/dbraw/zinc/46/46/64/1201464664.db2.gz CFQUCSSMVDAJLF-CQSZACIVSA-N 1 0 378.429 0.882 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000732149868 1201524396 /nfs/dbraw/zinc/52/43/96/1201524396.db2.gz SFDYHMRYTYJAPS-ZDUSSCGKSA-N 1 0 380.401 0.157 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000735855398 1201703870 /nfs/dbraw/zinc/70/38/70/1201703870.db2.gz BUOHNRVLFVFWQL-IHRRRGAJSA-N 1 0 380.449 0.807 20 5 GCBDRO C[N@@H+]1CCC[C@@H](N2CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)C1 ZINC000738214175 1201735372 /nfs/dbraw/zinc/73/53/72/1201735372.db2.gz OJXYZBJZVGAGMD-CQSZACIVSA-N 1 0 387.440 0.860 20 5 GCBDRO O=C1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000582122039 1201916492 /nfs/dbraw/zinc/91/64/92/1201916492.db2.gz WXEKANUHKITEDT-ZBFHGGJFSA-N 1 0 382.442 0.520 20 5 GCBDRO Cn1ccnc1C(=O)N[C@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@@H]21 ZINC001169030135 1201930557 /nfs/dbraw/zinc/93/05/57/1201930557.db2.gz WVFGPSNDXSGJQT-LYYZXLFJSA-N 1 0 377.445 0.827 20 5 GCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001169031422 1201930672 /nfs/dbraw/zinc/93/06/72/1201930672.db2.gz VHMJGWLGZODNOJ-UHFFFAOYSA-N 1 0 385.442 0.527 20 5 GCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001169030357 1201930769 /nfs/dbraw/zinc/93/07/69/1201930769.db2.gz YZJZKKTWLOIYHK-RYRKJORJSA-N 1 0 377.445 0.830 20 5 GCBDRO 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 ZINC001169019562 1201930944 /nfs/dbraw/zinc/93/09/44/1201930944.db2.gz GIRFVTDZPZIWSB-KSWRQPAISA-N 1 0 387.502 0.945 20 5 GCBDRO CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169017504 1201931055 /nfs/dbraw/zinc/93/10/55/1201931055.db2.gz AAMLRYOHRFKIEE-OAGGEKHMSA-N 1 0 379.461 0.865 20 5 GCBDRO 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 ZINC001169020679 1201931082 /nfs/dbraw/zinc/93/10/82/1201931082.db2.gz LQQCEMFSGSMJGE-UQOMUDLDSA-N 1 0 395.485 0.684 20 5 GCBDRO Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)S(C)(=O)=O)cn1 ZINC001169019237 1201931189 /nfs/dbraw/zinc/93/11/89/1201931189.db2.gz GVCPTBNNPYZAEO-DRPJVOAASA-N 1 0 385.490 0.400 20 5 GCBDRO 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 ZINC001169026762 1201931438 /nfs/dbraw/zinc/93/14/38/1201931438.db2.gz NVJOSJJBVCSXFR-YECZKDOJSA-N 1 0 391.472 0.932 20 5 GCBDRO COc1cccc(C[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC001169261118 1201941038 /nfs/dbraw/zinc/94/10/38/1201941038.db2.gz SHLKRUPNLZATBH-OAHLLOKOSA-N 1 0 386.408 0.808 20 5 GCBDRO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCCOC1 ZINC000770691497 1202109060 /nfs/dbraw/zinc/10/90/60/1202109060.db2.gz IPFOCAWUJOVHBH-KRWDZBQOSA-N 1 0 395.368 0.964 20 5 GCBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648571 1205426617 /nfs/dbraw/zinc/42/66/17/1205426617.db2.gz ZBPHUBDRVUODFF-UKRRQHHQSA-N 1 0 377.445 0.761 20 5 GCBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])O1 ZINC001170277944 1205490242 /nfs/dbraw/zinc/49/02/42/1205490242.db2.gz NBBNWCVFGPJFKM-HSMVNMDESA-N 1 0 382.421 0.358 20 5 GCBDRO C[NH+]1CCN(CCCS(=O)(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000867018585 1205492070 /nfs/dbraw/zinc/49/20/70/1205492070.db2.gz UHCSKPACHUSWPQ-UHFFFAOYSA-N 1 0 382.486 0.920 20 5 GCBDRO C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCCCC1 ZINC000793708159 1205504697 /nfs/dbraw/zinc/50/46/97/1205504697.db2.gz LFXAMMHLIYVZSM-AWEZNQCLSA-N 1 0 392.460 0.945 20 5 GCBDRO COC(=O)C(C(=O)OC)c1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001170572655 1205619370 /nfs/dbraw/zinc/61/93/70/1205619370.db2.gz HPRVRUJCBWRXMQ-IINYFYTJSA-N 1 0 381.385 0.813 20 5 GCBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001132761365 1205650641 /nfs/dbraw/zinc/65/06/41/1205650641.db2.gz OTIZICNMRUVXGS-GOSISDBHSA-N 1 0 391.428 0.750 20 5 GCBDRO C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001133923520 1205680361 /nfs/dbraw/zinc/68/03/61/1205680361.db2.gz OWHSSCOLDDRQLF-GOEBONIOSA-N 1 0 396.469 0.958 20 5 GCBDRO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001134144500 1205688193 /nfs/dbraw/zinc/68/81/93/1205688193.db2.gz PJGSYZAPRMUXSN-ZFWWWQNUSA-N 1 0 382.442 0.568 20 5 GCBDRO CCS(=O)(=O)N(C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001134197510 1205689074 /nfs/dbraw/zinc/68/90/74/1205689074.db2.gz JMOLQBJBCDEDCK-UHFFFAOYSA-N 1 0 399.473 0.567 20 5 GCBDRO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H]1CCc2ncnn21 ZINC001171510934 1205708219 /nfs/dbraw/zinc/70/82/19/1205708219.db2.gz NIFRCRWTHLDSFU-GFCCVEGCSA-N 1 0 380.430 0.584 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCS(=O)(=O)CC2)c1F ZINC001173185456 1205719025 /nfs/dbraw/zinc/71/90/25/1205719025.db2.gz ZJCQBIMVGFPUDF-GFCCVEGCSA-N 1 0 389.449 0.994 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCn2ccnn2)CC1 ZINC001173689208 1205726317 /nfs/dbraw/zinc/72/63/17/1205726317.db2.gz BMNZIRKFRQFIFX-UHFFFAOYSA-N 1 0 380.430 0.629 20 5 GCBDRO CN1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC001173692420 1205726365 /nfs/dbraw/zinc/72/63/65/1205726365.db2.gz ISRFXRVZQJYXOO-ZDUSSCGKSA-N 1 0 382.442 0.568 20 5 GCBDRO O=C1CC[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 ZINC001173692197 1205726395 /nfs/dbraw/zinc/72/63/95/1205726395.db2.gz GHPVOQQFKPNJQT-ZDUSSCGKSA-N 1 0 382.442 0.616 20 5 GCBDRO CN1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1=O ZINC001173691285 1205726434 /nfs/dbraw/zinc/72/64/34/1205726434.db2.gz LJGGZFIZYSOZLJ-CQSZACIVSA-N 1 0 396.469 0.958 20 5 GCBDRO CN1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC001173691996 1205726458 /nfs/dbraw/zinc/72/64/58/1205726458.db2.gz YTGGHEYSUZRZNL-AWEZNQCLSA-N 1 0 396.469 0.958 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C2(CCO)COC2)CC1 ZINC001173691376 1205726471 /nfs/dbraw/zinc/72/64/71/1205726471.db2.gz NVNGKXIOMYBOCH-UHFFFAOYSA-N 1 0 385.442 0.489 20 5 GCBDRO O=C1C[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC001173690901 1205726476 /nfs/dbraw/zinc/72/64/76/1205726476.db2.gz DJKXHVXTFPLOEX-LBPRGKRZSA-N 1 0 382.442 0.474 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@H]2[C@H](O)CCC[C@@H]2O)CC1 ZINC001173694703 1205726560 /nfs/dbraw/zinc/72/65/60/1205726560.db2.gz CAZUOYNQEQHJLK-QLPKVWCKSA-N 1 0 399.469 0.612 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@]2(CO)CCOC2)CC1 ZINC001173695366 1205726644 /nfs/dbraw/zinc/72/66/44/1205726644.db2.gz LLHFBYQGUPCZTH-INIZCTEOSA-N 1 0 385.442 0.489 20 5 GCBDRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(N)=O ZINC001173694678 1205726699 /nfs/dbraw/zinc/72/66/99/1205726699.db2.gz ZRVFZYCIEXIQRD-ZDUSSCGKSA-N 1 0 384.458 0.992 20 5 GCBDRO CC1(C)C(=O)NC[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695634 1205726764 /nfs/dbraw/zinc/72/67/64/1205726764.db2.gz OKUWYWDAFZZZKY-HNNXBMFYSA-N 1 0 396.469 0.862 20 5 GCBDRO CNC(=O)CC[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698992 1205726950 /nfs/dbraw/zinc/72/69/50/1205726950.db2.gz XOWYUNVXVGKXEB-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC001175714383 1205740424 /nfs/dbraw/zinc/74/04/24/1205740424.db2.gz HRYZHQVCAZYGRA-HNNXBMFYSA-N 1 0 383.401 0.988 20 5 GCBDRO O=Cc1ccc(OCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001180054463 1205817567 /nfs/dbraw/zinc/81/75/67/1205817567.db2.gz NUJJDUBNTWRHNV-HUUCEWRRSA-N 1 0 377.397 0.844 20 5 GCBDRO Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164876639 721290246 /nfs/dbraw/zinc/29/02/46/721290246.db2.gz KRDNWKBIKDCWNF-UHFFFAOYSA-N 1 0 392.460 0.700 20 5 GCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001165035347 721903553 /nfs/dbraw/zinc/90/35/53/721903553.db2.gz AUCFJLRXWAVBLS-CQSZACIVSA-N 1 0 377.449 0.095 20 5 GCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732858 530194100 /nfs/dbraw/zinc/19/41/00/530194100.db2.gz DWEABQWQDHFTLC-ONGXEEELSA-N 1 0 383.202 0.741 20 5 GCBDRO CCn1cc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000599101046 530159483 /nfs/dbraw/zinc/15/94/83/530159483.db2.gz MCIHUALJRYTAQI-BDAKNGLRSA-N 1 0 385.368 0.959 20 5 GCBDRO COC[C@]1(CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000262334321 530214686 /nfs/dbraw/zinc/21/46/86/530214686.db2.gz RZHWSTXFIWAVKM-CQSZACIVSA-N 1 0 377.394 0.789 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000614551114 530309944 /nfs/dbraw/zinc/30/99/44/530309944.db2.gz YRVNLKDTRYBEKV-RNCFNFMXSA-N 1 0 377.394 0.740 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000517024414 530314358 /nfs/dbraw/zinc/31/43/58/530314358.db2.gz SUUIIBBTUAZGQV-NSHDSACASA-N 1 0 391.165 0.918 20 5 GCBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563441504 530349427 /nfs/dbraw/zinc/34/94/27/530349427.db2.gz LTHOVLZULHSCGD-SKDRFNHKSA-N 1 0 388.833 0.489 20 5 GCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000563899345 530350286 /nfs/dbraw/zinc/35/02/86/530350286.db2.gz UHOZNIOVFCZGQG-AAEUAGOBSA-N 1 0 397.229 0.670 20 5 GCBDRO CN(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)S(=O)(=O)c1cccs1 ZINC000566114937 530372396 /nfs/dbraw/zinc/37/23/96/530372396.db2.gz NLMMDGLNDYUYCQ-GFCCVEGCSA-N 1 0 389.459 0.124 20 5 GCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184336089 530499342 /nfs/dbraw/zinc/49/93/42/530499342.db2.gz QPLNVFGSZDMSGJ-UHFFFAOYSA-N 1 0 396.263 0.950 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000440844123 530695904 /nfs/dbraw/zinc/69/59/04/530695904.db2.gz IBHKPRQXEYYBBQ-NXEZZACHSA-N 1 0 377.394 0.869 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000161483514 530806537 /nfs/dbraw/zinc/80/65/37/530806537.db2.gz PNONOHVODNCWHZ-LBPRGKRZSA-N 1 0 396.263 0.948 20 5 GCBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000420471117 530869405 /nfs/dbraw/zinc/86/94/05/530869405.db2.gz AKVSBHADELMRFV-SNVBAGLBSA-N 1 0 380.220 0.624 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000299217189 530898558 /nfs/dbraw/zinc/89/85/58/530898558.db2.gz UMTMNRWJRKUAKE-UHFFFAOYSA-N 1 0 390.849 0.643 20 5 GCBDRO NC(=O)c1csc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000532866032 530899119 /nfs/dbraw/zinc/89/91/19/530899119.db2.gz HODKWOGOVWDKLN-UHFFFAOYSA-N 1 0 384.439 0.823 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCO1 ZINC000274721002 530905467 /nfs/dbraw/zinc/90/54/67/530905467.db2.gz BFMPNWPNSQXWPN-SECBINFHSA-N 1 0 391.165 0.999 20 5 GCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000372221973 530891390 /nfs/dbraw/zinc/89/13/90/530891390.db2.gz LNKLNXWZWXTNNM-MRVPVSSYSA-N 1 0 380.220 0.706 20 5 GCBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443282453 530894693 /nfs/dbraw/zinc/89/46/93/530894693.db2.gz JCCYAJNEYGJFQF-UHFFFAOYSA-N 1 0 395.865 0.809 20 5 GCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000443301259 530896278 /nfs/dbraw/zinc/89/62/78/530896278.db2.gz ZZCMTTZTLIXINM-UHFFFAOYSA-N 1 0 375.447 0.464 20 5 GCBDRO Cc1sc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000467408460 530915694 /nfs/dbraw/zinc/91/56/94/530915694.db2.gz WTLANQXIRLNAAL-UHFFFAOYSA-N 1 0 376.460 0.359 20 5 GCBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000331782198 530919777 /nfs/dbraw/zinc/91/97/77/530919777.db2.gz DQXBBYDIHZSEAP-NWDGAFQWSA-N 1 0 392.231 0.719 20 5 GCBDRO CSCC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262157903 530962686 /nfs/dbraw/zinc/96/26/86/530962686.db2.gz UEXYFXWVRMCMIR-LBPRGKRZSA-N 1 0 376.460 0.070 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000576148973 530984521 /nfs/dbraw/zinc/98/45/21/530984521.db2.gz CJKSZELCJXYCMP-CYBMUJFWSA-N 1 0 388.833 0.869 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC[S@](C)=O)c([N+](=O)[O-])c1 ZINC000735075358 640010773 /nfs/dbraw/zinc/01/07/73/640010773.db2.gz SRODIRSIMOZKMI-QHCPKHFHSA-N 1 0 378.476 0.225 20 5 GCBDRO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@](C)(O)C[NH+](C)C ZINC000751963710 640397943 /nfs/dbraw/zinc/39/79/43/640397943.db2.gz QIVFRLLRKGSFBH-AWEZNQCLSA-N 1 0 376.435 0.501 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000762554944 640609402 /nfs/dbraw/zinc/60/94/02/640609402.db2.gz MQGNDAZKRBYFSP-LBPRGKRZSA-N 1 0 394.247 0.702 20 5 GCBDRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768835190 640761919 /nfs/dbraw/zinc/76/19/19/640761919.db2.gz NDYOOVFGFNOWOC-UHFFFAOYSA-N 1 0 388.471 0.585 20 5 GCBDRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000861521749 641154104 /nfs/dbraw/zinc/15/41/04/641154104.db2.gz JWFYRFJRRLBYGH-VIFPVBQESA-N 1 0 387.190 0.400 20 5 GCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1 ZINC000819032340 641926751 /nfs/dbraw/zinc/92/67/51/641926751.db2.gz BTCHNWKCPCVPSS-CQSZACIVSA-N 1 0 375.472 0.596 20 5 GCBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841231768 642292618 /nfs/dbraw/zinc/29/26/18/642292618.db2.gz SAXXBZNLTUWUGH-DTORHVGOSA-N 1 0 383.202 0.974 20 5 GCBDRO Cc1cc(Cl)c(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000842695180 642344138 /nfs/dbraw/zinc/34/41/38/642344138.db2.gz RIVWVEXMSHIWAP-UHFFFAOYSA-N 1 0 376.822 0.267 20 5 GCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000264879630 1192260415 /nfs/dbraw/zinc/26/04/15/1192260415.db2.gz SMIBRJXZZOMZEI-QGZVFWFLSA-N 1 0 376.461 0.672 20 5 GCBDRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000500438985 1192268161 /nfs/dbraw/zinc/26/81/61/1192268161.db2.gz FKKWXIYEXVSLAY-UHFFFAOYSA-N 1 0 389.456 0.844 20 5 GCBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563148868 1192361003 /nfs/dbraw/zinc/36/10/03/1192361003.db2.gz AVUUPNYTKHVQSZ-HNNXBMFYSA-N 1 0 379.442 0.749 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)CCO1 ZINC000163068798 1192412103 /nfs/dbraw/zinc/41/21/03/1192412103.db2.gz RPFHXANUZWWQJV-ABAIWWIYSA-N 1 0 378.385 0.858 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279006236 1192434109 /nfs/dbraw/zinc/43/41/09/1192434109.db2.gz DLDVAQSTEJLQDP-QGZVFWFLSA-N 1 0 375.385 0.906 20 5 GCBDRO Cc1c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000265121111 1192459761 /nfs/dbraw/zinc/45/97/61/1192459761.db2.gz NULHFYWYLUBTTQ-ZDUSSCGKSA-N 1 0 387.444 0.850 20 5 GCBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418732665 1192636331 /nfs/dbraw/zinc/63/63/31/1192636331.db2.gz QZQGFNSUCUQUIK-LBPRGKRZSA-N 1 0 385.446 0.348 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000584834181 1192659889 /nfs/dbraw/zinc/65/98/89/1192659889.db2.gz CMVGXNYXJYODJR-ZWKOTPCHSA-N 1 0 393.419 0.954 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cn1 ZINC000500588932 1192661534 /nfs/dbraw/zinc/66/15/34/1192661534.db2.gz HJEBPUKXKMOALJ-UHFFFAOYSA-N 1 0 375.389 0.304 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000418929597 1192694162 /nfs/dbraw/zinc/69/41/62/1192694162.db2.gz FQJFORNHDNVKLB-UHFFFAOYSA-N 1 0 376.413 0.822 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OC ZINC000419013315 1192718976 /nfs/dbraw/zinc/71/89/76/1192718976.db2.gz AXCRZISTWKKTGW-LBPRGKRZSA-N 1 0 380.401 0.124 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000419030839 1192732597 /nfs/dbraw/zinc/73/25/97/1192732597.db2.gz UGCNOHLKAFTTOE-YPMHNXCESA-N 1 0 394.428 0.466 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000419032548 1192733140 /nfs/dbraw/zinc/73/31/40/1192733140.db2.gz VWZDSDROVSORFH-NSHDSACASA-N 1 0 380.401 0.091 20 5 GCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274514174 1184083344 /nfs/dbraw/zinc/08/33/44/1184083344.db2.gz YJASUHGDAKRESG-HNNXBMFYSA-N 1 0 391.472 0.857 20 5 GCBDRO CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]1 ZINC000274609934 1184118995 /nfs/dbraw/zinc/11/89/95/1184118995.db2.gz NEDAZQAGKOLTPF-QGZVFWFLSA-N 1 0 396.469 0.960 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452271 1184164360 /nfs/dbraw/zinc/16/43/60/1184164360.db2.gz IHBDWXGWPQLNSM-DYVFJYSZSA-N 1 0 390.440 0.771 20 5 GCBDRO COc1ccc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000274673187 1184176994 /nfs/dbraw/zinc/17/69/94/1184176994.db2.gz RPKLGJIELFXZTC-CYBMUJFWSA-N 1 0 386.474 0.908 20 5 GCBDRO COc1cc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274702457 1184202554 /nfs/dbraw/zinc/20/25/54/1184202554.db2.gz YZDYDTZBZGPROD-ZDUSSCGKSA-N 1 0 386.474 0.908 20 5 GCBDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000510071749 1184221520 /nfs/dbraw/zinc/22/15/20/1184221520.db2.gz MUOARPOEIOEAST-INIZCTEOSA-N 1 0 388.428 0.197 20 5 GCBDRO CCn1cnnc1CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275080389 1184500044 /nfs/dbraw/zinc/50/00/44/1184500044.db2.gz XYEVNHGPQFNHSC-UHFFFAOYSA-N 1 0 397.461 0.658 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000275117125 1184523384 /nfs/dbraw/zinc/52/33/84/1184523384.db2.gz XNNGJPLBVCSXHU-UHFFFAOYSA-N 1 0 391.421 0.868 20 5 GCBDRO Cc1cc(NC(=O)C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000175522938 1184591212 /nfs/dbraw/zinc/59/12/12/1184591212.db2.gz KDYJOEXNPDRWPH-CQSZACIVSA-N 1 0 378.389 0.799 20 5 GCBDRO C[C@H](O)CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000430422461 1184711988 /nfs/dbraw/zinc/71/19/88/1184711988.db2.gz DNWSCZAXSADQFB-NEPJUHHUSA-N 1 0 396.469 0.699 20 5 GCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000579470190 1185099489 /nfs/dbraw/zinc/09/94/89/1185099489.db2.gz YGCDGULVVUJZBV-QWHCGFSZSA-N 1 0 399.473 0.737 20 5 GCBDRO C[NH2+][C@H](C)Cc1noc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000261616126 1185214632 /nfs/dbraw/zinc/21/46/32/1185214632.db2.gz BIUJVVSRJRFFLW-SECBINFHSA-N 1 0 384.418 0.430 20 5 GCBDRO CN(CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261638963 1185220018 /nfs/dbraw/zinc/22/00/18/1185220018.db2.gz AORCRZAYVQICHV-OKILXGFUSA-N 1 0 396.469 0.673 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261645905 1185222037 /nfs/dbraw/zinc/22/20/37/1185222037.db2.gz FCMGYDDLHHIALG-IOASZLSFSA-N 1 0 396.469 0.944 20 5 GCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261733740 1185246985 /nfs/dbraw/zinc/24/69/85/1185246985.db2.gz CYJXLVPLKQAEIS-ZDUSSCGKSA-N 1 0 376.335 0.926 20 5 GCBDRO CN(CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000261791494 1185259476 /nfs/dbraw/zinc/25/94/76/1185259476.db2.gz GNUYHSPGQIXRBH-CQSZACIVSA-N 1 0 389.378 0.983 20 5 GCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261977620 1185297797 /nfs/dbraw/zinc/29/77/97/1185297797.db2.gz LYJLFNUVWPLAQU-CYBMUJFWSA-N 1 0 375.351 0.959 20 5 GCBDRO O=C([C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000262022106 1185307504 /nfs/dbraw/zinc/30/75/04/1185307504.db2.gz ISSZICDAYFZJJT-CYBMUJFWSA-N 1 0 382.442 0.427 20 5 GCBDRO O=C([C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000262022109 1185308262 /nfs/dbraw/zinc/30/82/62/1185308262.db2.gz ISSZICDAYFZJJT-ZDUSSCGKSA-N 1 0 382.442 0.427 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000580706018 1185311044 /nfs/dbraw/zinc/31/10/44/1185311044.db2.gz PPSYKBWEKJFWRX-APHBMKBZSA-N 1 0 376.413 0.676 20 5 GCBDRO COc1cc(CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000262180012 1185392698 /nfs/dbraw/zinc/39/26/98/1185392698.db2.gz QXXATCUDFRTFIU-INIZCTEOSA-N 1 0 382.417 0.370 20 5 GCBDRO Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001707886305 1185403381 /nfs/dbraw/zinc/40/33/81/1185403381.db2.gz PIGXEAQIDDVPHR-QGZVFWFLSA-N 1 0 390.448 0.599 20 5 GCBDRO COc1ccc(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000276045467 1185518932 /nfs/dbraw/zinc/51/89/32/1185518932.db2.gz SVNBMWHSHODVOR-UHFFFAOYSA-N 1 0 393.444 0.638 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581184826 1185525973 /nfs/dbraw/zinc/52/59/73/1185525973.db2.gz XTPGKHWVSQOJGX-OAHLLOKOSA-N 1 0 390.444 0.191 20 5 GCBDRO C[C@@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])[C@@H]1CO ZINC000276086521 1185559145 /nfs/dbraw/zinc/55/91/45/1185559145.db2.gz VKSYHYBFILLECI-MLGOLLRUSA-N 1 0 386.474 0.642 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430617986 1185787607 /nfs/dbraw/zinc/78/76/07/1185787607.db2.gz QJSMRLXGLSYTSD-STQMWFEESA-N 1 0 393.444 0.717 20 5 GCBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000581676985 1185836216 /nfs/dbraw/zinc/83/62/16/1185836216.db2.gz NBERSTPAVVBFPS-CYBMUJFWSA-N 1 0 384.458 0.933 20 5 GCBDRO COC(=O)c1cnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000477745224 1186039377 /nfs/dbraw/zinc/03/93/77/1186039377.db2.gz SBRISZIJXNBLBT-UHFFFAOYSA-N 1 0 377.401 0.521 20 5 GCBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000510690791 1186055715 /nfs/dbraw/zinc/05/57/15/1186055715.db2.gz LVODEDMPMLYZJC-OAHLLOKOSA-N 1 0 388.446 0.391 20 5 GCBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000510690790 1186056034 /nfs/dbraw/zinc/05/60/34/1186056034.db2.gz LVODEDMPMLYZJC-HNNXBMFYSA-N 1 0 388.446 0.391 20 5 GCBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000458175515 1186210550 /nfs/dbraw/zinc/21/05/50/1186210550.db2.gz COHXUOGITZMZNW-ZDUSSCGKSA-N 1 0 384.458 0.721 20 5 GCBDRO C[N@@H+]1CCC[C@H](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000458175513 1186210909 /nfs/dbraw/zinc/21/09/09/1186210909.db2.gz COHXUOGITZMZNW-CYBMUJFWSA-N 1 0 384.458 0.721 20 5 GCBDRO COc1cc(OCC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000563101155 1186224882 /nfs/dbraw/zinc/22/48/82/1186224882.db2.gz AOFUSNFECZKGNW-UHFFFAOYSA-N 1 0 377.361 0.149 20 5 GCBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000563097219 1186226260 /nfs/dbraw/zinc/22/62/60/1186226260.db2.gz PMOBIBPWGTYANW-CYBMUJFWSA-N 1 0 388.428 0.888 20 5 GCBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000610922932 1186260420 /nfs/dbraw/zinc/26/04/20/1186260420.db2.gz AUCYDUSCGHQSHF-ZDUSSCGKSA-N 1 0 380.449 0.578 20 5 GCBDRO CC(C)c1[nH]nc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000610921999 1186260452 /nfs/dbraw/zinc/26/04/52/1186260452.db2.gz BAMKXJYGEVZWLU-LBPRGKRZSA-N 1 0 378.433 0.996 20 5 GCBDRO CCN(CC)C(=O)CN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247703320 1186264496 /nfs/dbraw/zinc/26/44/96/1186264496.db2.gz YIXDXHNELHGQGI-MRXNPFEDSA-N 1 0 382.465 0.028 20 5 GCBDRO O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262426239 1186294203 /nfs/dbraw/zinc/29/42/03/1186294203.db2.gz CSDSFFFMZOYMKY-DVOMOZLQSA-N 1 0 394.453 0.426 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262426717 1186294240 /nfs/dbraw/zinc/29/42/40/1186294240.db2.gz HYWJQIFJBQOEFW-HNNXBMFYSA-N 1 0 384.458 0.719 20 5 GCBDRO C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000262485679 1186300781 /nfs/dbraw/zinc/30/07/81/1186300781.db2.gz YPXYYBLIBLREKS-KBPBESRZSA-N 1 0 396.469 0.816 20 5 GCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000563142274 1186303247 /nfs/dbraw/zinc/30/32/47/1186303247.db2.gz KJIQWTZLGNOLAT-QWRGUYRKSA-N 1 0 397.457 0.183 20 5 GCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127572349 1186516387 /nfs/dbraw/zinc/51/63/87/1186516387.db2.gz BYSNRXGVUSPGJH-UHFFFAOYSA-N 1 0 377.445 0.938 20 5 GCBDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000277733944 1186582301 /nfs/dbraw/zinc/58/23/01/1186582301.db2.gz OLEBSSNROKMDEN-UHFFFAOYSA-N 1 0 387.396 0.917 20 5 GCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000583082592 1186767321 /nfs/dbraw/zinc/76/73/21/1186767321.db2.gz HRHQTJDBGRHERR-WBVHZDCISA-N 1 0 387.440 0.884 20 5 GCBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 ZINC000583153630 1186783235 /nfs/dbraw/zinc/78/32/35/1186783235.db2.gz NLDIFBNSVQXWGB-LBPRGKRZSA-N 1 0 375.385 1.126 20 5 GCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728551770 1186792023 /nfs/dbraw/zinc/79/20/23/1186792023.db2.gz MZZJBDQVGAQTGY-UHFFFAOYSA-N 1 0 394.403 0.879 20 5 GCBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572954127 1186821311 /nfs/dbraw/zinc/82/13/11/1186821311.db2.gz DTVYOAQHNSFXSV-HZPDHXFCSA-N 1 0 388.442 0.779 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583452042 1186857197 /nfs/dbraw/zinc/85/71/97/1186857197.db2.gz QPKBMLKZMPXUMI-WCFLWFBJSA-N 1 0 377.401 0.174 20 5 GCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278292050 1186875619 /nfs/dbraw/zinc/87/56/19/1186875619.db2.gz ZXWLISSVZMQADP-GFCCVEGCSA-N 1 0 375.433 0.906 20 5 GCBDRO C[C@H]1C[N@H+](CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000278472320 1186955215 /nfs/dbraw/zinc/95/52/15/1186955215.db2.gz JXNBBPCDJWLGAK-AWEZNQCLSA-N 1 0 378.429 0.942 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278754064 1187048873 /nfs/dbraw/zinc/04/88/73/1187048873.db2.gz BCBHORBQPHFYDO-HZPDHXFCSA-N 1 0 399.469 0.834 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000584411447 1187054800 /nfs/dbraw/zinc/05/48/00/1187054800.db2.gz OPPBDYVEALDOJX-OLZOCXBDSA-N 1 0 384.458 0.897 20 5 GCBDRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375813311 1187434757 /nfs/dbraw/zinc/43/47/57/1187434757.db2.gz ZEZLUYDEZCRUMN-IJEWVQPXSA-N 1 0 397.432 0.522 20 5 GCBDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CCn1cc([N+](=O)[O-])cn1 ZINC000451979216 1187469904 /nfs/dbraw/zinc/46/99/04/1187469904.db2.gz BGKDZSSATKAKFA-UHFFFAOYSA-N 1 0 387.393 0.589 20 5 GCBDRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365125461 1187486863 /nfs/dbraw/zinc/48/68/63/1187486863.db2.gz QHFHMZUJAPRPQG-QWHCGFSZSA-N 1 0 378.433 0.541 20 5 GCBDRO 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CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000468484203 1187694539 /nfs/dbraw/zinc/69/45/39/1187694539.db2.gz OPBRFBLKPKKIQT-ZDUSSCGKSA-N 1 0 395.464 0.060 20 5 GCBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[NH2+]CCCO1 ZINC000582605485 1187757870 /nfs/dbraw/zinc/75/78/70/1187757870.db2.gz AVTZIRDIBGHSDW-CYBMUJFWSA-N 1 0 378.385 0.778 20 5 GCBDRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000414310042 1187822680 /nfs/dbraw/zinc/82/26/80/1187822680.db2.gz VUYRQCUSHFXDRL-UHFFFAOYSA-N 1 0 382.446 0.462 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000180985040 1187903141 /nfs/dbraw/zinc/90/31/41/1187903141.db2.gz DANCAFOFZHZMEJ-UHFFFAOYSA-N 1 0 377.445 0.904 20 5 GCBDRO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000415294912 1188024503 /nfs/dbraw/zinc/02/45/03/1188024503.db2.gz LIXBSLJDALNOIL-UHFFFAOYSA-N 1 0 384.396 0.736 20 5 GCBDRO COc1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] 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/nfs/dbraw/zinc/39/12/74/1189391274.db2.gz NTXIDVIKAUAFDN-LLVKDONJSA-N 1 0 396.400 0.435 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415895323 1189399829 /nfs/dbraw/zinc/39/98/29/1189399829.db2.gz PJSQJVZXYNQFJC-RYUDHWBXSA-N 1 0 390.396 0.763 20 5 GCBDRO NC(=O)c1ccc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000104067641 1189442170 /nfs/dbraw/zinc/44/21/70/1189442170.db2.gz FDHDTFUASQMLBU-OAHLLOKOSA-N 1 0 375.429 0.608 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378319357 1189474195 /nfs/dbraw/zinc/47/41/95/1189474195.db2.gz RLJZETJJTIVBLM-GOEBONIOSA-N 1 0 378.477 0.974 20 5 GCBDRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416304791 1189484933 /nfs/dbraw/zinc/48/49/33/1189484933.db2.gz VSVPYADBERZTEK-HNNXBMFYSA-N 1 0 396.469 0.958 20 5 GCBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)CN1CCO ZINC000416314168 1189488017 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CDUGQMAEJUIVAQ-GFCCVEGCSA-N 1 0 379.417 0.600 20 5 GCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417237609 1189634963 /nfs/dbraw/zinc/63/49/63/1189634963.db2.gz WYDPMIPMYMVLHH-MRXNPFEDSA-N 1 0 389.456 0.991 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417265234 1189636479 /nfs/dbraw/zinc/63/64/79/1189636479.db2.gz AUHIBHVLPYPBLO-MRXNPFEDSA-N 1 0 397.457 0.268 20 5 GCBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000417277136 1189637903 /nfs/dbraw/zinc/63/79/03/1189637903.db2.gz FSAMCFKCSLBLFL-OLZOCXBDSA-N 1 0 399.473 0.560 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1=CC[NH2+]CC1 ZINC000417277130 1189638103 /nfs/dbraw/zinc/63/81/03/1189638103.db2.gz FRJAPVXNUGFJDY-UHFFFAOYSA-N 1 0 383.430 0.092 20 5 GCBDRO C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000417277137 1189638156 /nfs/dbraw/zinc/63/81/56/1189638156.db2.gz FSAMCFKCSLBLFL-QWHCGFSZSA-N 1 0 399.473 0.560 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417279560 1189638806 /nfs/dbraw/zinc/63/88/06/1189638806.db2.gz ISPZCDBAMPBXMG-WFASDCNBSA-N 1 0 399.473 0.784 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000417283669 1189639463 /nfs/dbraw/zinc/63/94/63/1189639463.db2.gz RIXSULYVWAXBAV-QWHCGFSZSA-N 1 0 399.473 0.499 20 5 GCBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282054 1189639548 /nfs/dbraw/zinc/63/95/48/1189639548.db2.gz ORNBCWDHFKCXQV-RISCZKNCSA-N 1 0 385.446 0.170 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417282507 1189639567 /nfs/dbraw/zinc/63/95/67/1189639567.db2.gz PRPZWQPQNJFYQY-OLZOCXBDSA-N 1 0 397.457 0.409 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417285766 1189639902 /nfs/dbraw/zinc/63/99/02/1189639902.db2.gz UWNWSISMCVBVSN-NEPJUHHUSA-N 1 0 385.446 0.442 20 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C[C@]1(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000417343003 1189651213 /nfs/dbraw/zinc/65/12/13/1189651213.db2.gz PUOFYEAFGMPGSS-INIZCTEOSA-N 1 0 399.473 0.562 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364096656 1189653455 /nfs/dbraw/zinc/65/34/55/1189653455.db2.gz QPHPDYXMEMZHCC-XKQJLSEDSA-N 1 0 390.440 0.771 20 5 GCBDRO Cc1cc(OCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000431947136 1189662092 /nfs/dbraw/zinc/66/20/92/1189662092.db2.gz WOZUIVHEMDPIJQ-AWEZNQCLSA-N 1 0 378.429 0.986 20 5 GCBDRO COCC[N@H+](C)C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566482629 1189669215 /nfs/dbraw/zinc/66/92/15/1189669215.db2.gz VQHAPFLHBMIIHJ-YOEHRIQHSA-N 1 0 380.401 0.301 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000584834178 1189684630 /nfs/dbraw/zinc/68/46/30/1189684630.db2.gz CMVGXNYXJYODJR-MSOLQXFVSA-N 1 0 393.419 0.954 20 5 GCBDRO 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C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000417686646 1189696881 /nfs/dbraw/zinc/69/68/81/1189696881.db2.gz BETCSYLEAPERSO-STQMWFEESA-N 1 0 399.473 0.560 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681576 1189697154 /nfs/dbraw/zinc/69/71/54/1189697154.db2.gz QGAPWLPEZWPHJQ-NWDGAFQWSA-N 1 0 385.446 0.442 20 5 GCBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417700004 1189697226 /nfs/dbraw/zinc/69/72/26/1189697226.db2.gz LPDIWEPMKXPZTH-CYBMUJFWSA-N 1 0 399.473 0.514 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681578 1189697444 /nfs/dbraw/zinc/69/74/44/1189697444.db2.gz QGAPWLPEZWPHJQ-VXGBXAGGSA-N 1 0 385.446 0.442 20 5 GCBDRO C[C@]1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000417705644 1189698112 /nfs/dbraw/zinc/69/81/12/1189698112.db2.gz VBKCZODNOMDASS-INIZCTEOSA-N 1 0 399.473 0.562 20 5 GCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417763453 1189703208 /nfs/dbraw/zinc/70/32/08/1189703208.db2.gz KNVLOUZFAAQYEX-INIZCTEOSA-N 1 0 389.456 0.991 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000418022876 1189712519 /nfs/dbraw/zinc/71/25/19/1189712519.db2.gz RKWXMLIBCBKETG-STQMWFEESA-N 1 0 384.458 0.995 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418026043 1189713213 /nfs/dbraw/zinc/71/32/13/1189713213.db2.gz VNWCEGPXMVBFKK-CHWSQXEVSA-N 1 0 382.442 0.619 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418026050 1189713238 /nfs/dbraw/zinc/71/32/38/1189713238.db2.gz VNWCEGPXMVBFKK-STQMWFEESA-N 1 0 382.442 0.619 20 5 GCBDRO COc1cc(CCNC(=O)N2CCN(C)C[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000566609670 1189739708 /nfs/dbraw/zinc/73/97/08/1189739708.db2.gz MEUWXWLAKHFNJG-CYBMUJFWSA-N 1 0 381.433 0.439 20 5 GCBDRO C[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418276651 1189746838 /nfs/dbraw/zinc/74/68/38/1189746838.db2.gz GUQYXEWPXCBEHM-UHFFFAOYSA-N 1 0 385.446 0.220 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418287457 1189749060 /nfs/dbraw/zinc/74/90/60/1189749060.db2.gz KFJNOOVDHCMQAF-UHFFFAOYSA-N 1 0 376.461 0.722 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418470494 1189794464 /nfs/dbraw/zinc/79/44/64/1189794464.db2.gz LICMIARWVZSODL-LBPRGKRZSA-N 1 0 399.473 0.425 20 5 GCBDRO [NH3+]CCCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418510647 1189808086 /nfs/dbraw/zinc/80/80/86/1189808086.db2.gz OEJYNDFZIDNHOA-UHFFFAOYSA-N 1 0 385.446 0.350 20 5 GCBDRO COCC[NH2+]CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418511256 1189808854 /nfs/dbraw/zinc/80/88/54/1189808854.db2.gz QUTHHDWLRTZEDD-UHFFFAOYSA-N 1 0 379.417 0.298 20 5 GCBDRO O=C1CN([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc2N1 ZINC000759906911 1189820594 /nfs/dbraw/zinc/82/05/94/1189820594.db2.gz RMZGLNQQLDMKGD-HIFRSBDPSA-N 1 0 386.412 0.685 20 5 GCBDRO O=C(C[NH+]1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544143467 1189910616 /nfs/dbraw/zinc/91/06/16/1189910616.db2.gz YPSRZFDPLZUKQK-MRXNPFEDSA-N 1 0 392.456 0.575 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000106765692 1189936482 /nfs/dbraw/zinc/93/64/82/1189936482.db2.gz ZXOJJBSSEGQHHY-MRXNPFEDSA-N 1 0 375.429 0.947 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCn2cccn2)c([N+](=O)[O-])c1 ZINC000108945288 1190047080 /nfs/dbraw/zinc/04/70/80/1190047080.db2.gz SNAKUNROAITYLT-UHFFFAOYSA-N 1 0 382.446 0.743 20 5 GCBDRO CC(C)[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000433149903 1193765636 /nfs/dbraw/zinc/76/56/36/1193765636.db2.gz VAMZJTKALCXDDA-HNNXBMFYSA-N 1 0 384.458 0.659 20 5 GCBDRO CC[NH2+]CC1CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000419360471 1193863437 /nfs/dbraw/zinc/86/34/37/1193863437.db2.gz WRZUVWUAEJZURJ-UHFFFAOYSA-N 1 0 388.428 0.935 20 5 GCBDRO C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000509932349 1193960008 /nfs/dbraw/zinc/96/00/08/1193960008.db2.gz WWEPLXLMDJFCDR-CYBMUJFWSA-N 1 0 391.428 0.072 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000419455661 1194033323 /nfs/dbraw/zinc/03/33/23/1194033323.db2.gz PVYVRRQEMLMAGT-UKRRQHHQSA-N 1 0 377.445 0.936 20 5 GCBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000419459225 1194033598 /nfs/dbraw/zinc/03/35/98/1194033598.db2.gz CSDBSXWITCDZRY-MRXNPFEDSA-N 1 0 388.428 0.847 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c([N+](=O)[O-])c1 ZINC000419451924 1194036936 /nfs/dbraw/zinc/03/69/36/1194036936.db2.gz FLDXAKPJDPQWKG-CQSZACIVSA-N 1 0 393.444 0.316 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CCC[NH2+]C1 ZINC000419879640 1194131135 /nfs/dbraw/zinc/13/11/35/1194131135.db2.gz GRSSRKVHGLMFFK-KGLIPLIRSA-N 1 0 390.444 0.143 20 5 GCBDRO [NH3+]C1CCC(NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000419878442 1194131307 /nfs/dbraw/zinc/13/13/07/1194131307.db2.gz QQTWGSSAZUNZRE-UHFFFAOYSA-N 1 0 375.429 0.630 20 5 GCBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419894109 1194135457 /nfs/dbraw/zinc/13/54/57/1194135457.db2.gz VXQYHFSDJYGAOU-UHFFFAOYSA-N 1 0 375.429 0.107 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000419909900 1194142159 /nfs/dbraw/zinc/14/21/59/1194142159.db2.gz ZOBCXPDYFJRFIU-CHWSQXEVSA-N 1 0 376.413 0.689 20 5 GCBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419949122 1194142886 /nfs/dbraw/zinc/14/28/86/1194142886.db2.gz GTSXIWLPFFLPEF-CYBMUJFWSA-N 1 0 378.433 0.128 20 5 GCBDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419986162 1194153000 /nfs/dbraw/zinc/15/30/00/1194153000.db2.gz XHDVAOWTKWHXKY-CYBMUJFWSA-N 1 0 376.413 0.690 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC000420058589 1194163865 /nfs/dbraw/zinc/16/38/65/1194163865.db2.gz FOGUNUFWNLVRNN-QGZVFWFLSA-N 1 0 389.456 0.877 20 5 GCBDRO CC1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]CC1 ZINC000420062225 1194164789 /nfs/dbraw/zinc/16/47/89/1194164789.db2.gz BVJBXMGUQXXCDP-UHFFFAOYSA-N 1 0 390.444 0.144 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052279 1194170268 /nfs/dbraw/zinc/17/02/68/1194170268.db2.gz FKVLDTURGPGJBF-IUODEOHRSA-N 1 0 378.429 0.825 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000420072714 1194172689 /nfs/dbraw/zinc/17/26/89/1194172689.db2.gz NBMYHMJYVFGFRE-OAHLLOKOSA-N 1 0 389.456 0.877 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420073785 1194173129 /nfs/dbraw/zinc/17/31/29/1194173129.db2.gz YULJQBNWPYTTED-PBHICJAKSA-N 1 0 389.456 0.877 20 5 GCBDRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000420089405 1194175654 /nfs/dbraw/zinc/17/56/54/1194175654.db2.gz DJFSETMWHGHXJM-GOSISDBHSA-N 1 0 390.444 0.144 20 5 GCBDRO CC1(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]CC1 ZINC000420097284 1194176931 /nfs/dbraw/zinc/17/69/31/1194176931.db2.gz BZNLCYOANFZBHO-UHFFFAOYSA-N 1 0 389.456 0.749 20 5 GCBDRO O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420167886 1194199961 /nfs/dbraw/zinc/19/99/61/1194199961.db2.gz SHSVZLBHHGRSOI-UHFFFAOYSA-N 1 0 387.440 0.669 20 5 GCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420204618 1194204186 /nfs/dbraw/zinc/20/41/86/1194204186.db2.gz SHUQGUSKUKXRQA-INIZCTEOSA-N 1 0 392.412 0.069 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420263432 1194218585 /nfs/dbraw/zinc/21/85/85/1194218585.db2.gz SOSOLHWJIZMPGE-UONOGXRCSA-N 1 0 396.469 0.661 20 5 GCBDRO COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420253389 1194219562 /nfs/dbraw/zinc/21/95/62/1194219562.db2.gz DMLWEYHUWAKYQV-FPMFFAJLSA-N 1 0 376.413 0.932 20 5 GCBDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000366579060 1194221735 /nfs/dbraw/zinc/22/17/35/1194221735.db2.gz WNFIEJWLMKXGMN-GUTXKFCHSA-N 1 0 381.433 0.951 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC2(CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000420609010 1194247685 /nfs/dbraw/zinc/24/76/85/1194247685.db2.gz IJCBAJTVUFTIHI-UHFFFAOYSA-N 1 0 399.473 0.502 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C)C1 ZINC000413483770 1194271145 /nfs/dbraw/zinc/27/11/45/1194271145.db2.gz BIFCCEVVYLRFDK-LLVKDONJSA-N 1 0 390.400 0.717 20 5 GCBDRO 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O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261859690 1194534924 /nfs/dbraw/zinc/53/49/24/1194534924.db2.gz NAEGIDUCSLPQTH-CJNGLKHVSA-N 1 0 396.469 0.864 20 5 GCBDRO CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273703719 1194584640 /nfs/dbraw/zinc/58/46/40/1194584640.db2.gz OFSIRIPIRVNIJW-INIZCTEOSA-N 1 0 398.485 0.957 20 5 GCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422296292 1194607019 /nfs/dbraw/zinc/60/70/19/1194607019.db2.gz OMOCJFSJFVVSGN-AWEZNQCLSA-N 1 0 392.460 0.485 20 5 GCBDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422915356 1194707375 /nfs/dbraw/zinc/70/73/75/1194707375.db2.gz AXQGDICJTXPIQU-UONOGXRCSA-N 1 0 396.469 0.816 20 5 GCBDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000422941288 1194710301 /nfs/dbraw/zinc/71/03/01/1194710301.db2.gz UXULEYNAQWKUSY-BXUZGUMPSA-N 1 0 384.458 0.915 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422951198 1194711820 /nfs/dbraw/zinc/71/18/20/1194711820.db2.gz ZVQCHGLCRZHMPX-HZPDHXFCSA-N 1 0 384.458 0.230 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@@H]1[NH3+] ZINC000422986631 1194713134 /nfs/dbraw/zinc/71/31/34/1194713134.db2.gz CYSYEYPRBOTZFO-KBPBESRZSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422990292 1194713552 /nfs/dbraw/zinc/71/35/52/1194713552.db2.gz NEBGFLKWPXUNSV-LSDHHAIUSA-N 1 0 389.456 0.829 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994430 1194713793 /nfs/dbraw/zinc/71/37/93/1194713793.db2.gz VNAGXIIOZMUAJD-CABCVRRESA-N 1 0 387.440 0.454 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H]1C[NH3+] ZINC000422989947 1194713865 /nfs/dbraw/zinc/71/38/65/1194713865.db2.gz MQMFWOLIHPZTSX-LSDHHAIUSA-N 1 0 389.456 0.687 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422990289 1194713900 /nfs/dbraw/zinc/71/39/00/1194713900.db2.gz NEBGFLKWPXUNSV-CABCVRRESA-N 1 0 389.456 0.829 20 5 GCBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000422995577 1194715882 /nfs/dbraw/zinc/71/58/82/1194715882.db2.gz YMZZOVHLMKDPTG-LJQANCHMSA-N 1 0 387.440 0.455 20 5 GCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423110885 1194730308 /nfs/dbraw/zinc/73/03/08/1194730308.db2.gz WCISZKCAWQRACT-HNNXBMFYSA-N 1 0 375.429 0.059 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)[NH2+]1 ZINC000423147589 1194731145 /nfs/dbraw/zinc/73/11/45/1194731145.db2.gz DANXBBYZELHOEW-OKILXGFUSA-N 1 0 375.429 0.452 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[C@H]1[NH3+] ZINC000423147557 1194731223 /nfs/dbraw/zinc/73/12/23/1194731223.db2.gz CVOFVRHUBMXXBN-XJKSGUPXSA-N 1 0 375.429 0.439 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@@H]1C[NH3+] ZINC000423150905 1194731766 /nfs/dbraw/zinc/73/17/66/1194731766.db2.gz JEOQYUZESODGTH-GJZGRUSLSA-N 1 0 389.456 0.687 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423153331 1194732092 /nfs/dbraw/zinc/73/20/92/1194732092.db2.gz NDQAZMGEYOKDTL-YOEHRIQHSA-N 1 0 387.440 0.454 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423159523 1194733940 /nfs/dbraw/zinc/73/39/40/1194733940.db2.gz YFWSVVIUFCUJPL-LSDHHAIUSA-N 1 0 387.440 0.311 20 5 GCBDRO CC1(C)CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000423160554 1194733956 /nfs/dbraw/zinc/73/39/56/1194733956.db2.gz ZRGUGGYYNFVWDL-UHFFFAOYSA-N 1 0 375.429 0.454 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423159522 1194734208 /nfs/dbraw/zinc/73/42/08/1194734208.db2.gz YFWSVVIUFCUJPL-HUUCEWRRSA-N 1 0 387.440 0.311 20 5 GCBDRO COC[C@]1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000423223832 1194741812 /nfs/dbraw/zinc/74/18/12/1194741812.db2.gz AUZAMTGMAPWTQH-SFHVURJKSA-N 1 0 376.413 0.505 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1C[NH3+] ZINC000423569904 1194768233 /nfs/dbraw/zinc/76/82/33/1194768233.db2.gz GDZWYZDZUBQYFK-STQMWFEESA-N 1 0 376.413 0.628 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423582799 1194770520 /nfs/dbraw/zinc/77/05/20/1194770520.db2.gz BCKXTGYOBOSMGV-KBPBESRZSA-N 1 0 390.444 0.224 20 5 GCBDRO CCCN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CC[NH2+]C1 ZINC000423644232 1194777733 /nfs/dbraw/zinc/77/77/33/1194777733.db2.gz DCKIYFRRQICWLT-OAHLLOKOSA-N 1 0 389.456 0.844 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423686880 1194785951 /nfs/dbraw/zinc/78/59/51/1194785951.db2.gz URQHQLZWHZROIQ-PBHICJAKSA-N 1 0 389.456 0.972 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423686812 1194786091 /nfs/dbraw/zinc/78/60/91/1194786091.db2.gz UKVWUQZAHPSTLF-GJZGRUSLSA-N 1 0 389.456 0.972 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCO1 ZINC000423707013 1194787150 /nfs/dbraw/zinc/78/71/50/1194787150.db2.gz KDMOKKKGDPIDEM-RDJZCZTQSA-N 1 0 390.440 0.877 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423702482 1194790575 /nfs/dbraw/zinc/79/05/75/1194790575.db2.gz YPKOBPDJRVBSPN-GXTWGEPZSA-N 1 0 378.433 0.683 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000423998460 1194797975 /nfs/dbraw/zinc/79/79/75/1194797975.db2.gz ZPRIJJMVJWOEJY-GOEBONIOSA-N 1 0 376.413 0.612 20 5 GCBDRO C[C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424019148 1194799326 /nfs/dbraw/zinc/79/93/26/1194799326.db2.gz RDPWRYHSAMQBCJ-NEPJUHHUSA-N 1 0 399.473 0.488 20 5 GCBDRO C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424026683 1194799561 /nfs/dbraw/zinc/79/95/61/1194799561.db2.gz XPIGYAKYAQLEQK-QWHCGFSZSA-N 1 0 384.458 0.659 20 5 GCBDRO C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424026681 1194799568 /nfs/dbraw/zinc/79/95/68/1194799568.db2.gz XPIGYAKYAQLEQK-OLZOCXBDSA-N 1 0 384.458 0.659 20 5 GCBDRO C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424029700 1194800168 /nfs/dbraw/zinc/80/01/68/1194800168.db2.gz GHVZTODDJDKLQJ-OAHLLOKOSA-N 1 0 384.458 0.816 20 5 GCBDRO Cn1cc([C@@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@H]2[NH3+])cn1 ZINC000424223506 1194805878 /nfs/dbraw/zinc/80/58/78/1194805878.db2.gz HTVZBPQIACHKIH-LSDHHAIUSA-N 1 0 382.384 0.476 20 5 GCBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000434719224 1194863509 /nfs/dbraw/zinc/86/35/09/1194863509.db2.gz PYVMLPVMGDKFGK-MAUKXSAKSA-N 1 0 393.440 0.686 20 5 GCBDRO COc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000434975710 1194880815 /nfs/dbraw/zinc/88/08/15/1194880815.db2.gz FVDUXUFPNPBSRV-KGLIPLIRSA-N 1 0 396.444 0.555 20 5 GCBDRO NS(=O)(=O)c1ccc(NCCC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000435233090 1194904174 /nfs/dbraw/zinc/90/41/74/1194904174.db2.gz RZMCVXLOERBNKK-LBPRGKRZSA-N 1 0 397.457 0.397 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1=O ZINC000425308481 1194907723 /nfs/dbraw/zinc/90/77/23/1194907723.db2.gz BZZBHFVSZMESQJ-AWEZNQCLSA-N 1 0 378.429 0.812 20 5 GCBDRO C[NH+](C)CCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000505656679 1194915692 /nfs/dbraw/zinc/91/56/92/1194915692.db2.gz GCAACXIDWFSSMM-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)[C@@H]2C1 ZINC000425401485 1194953811 /nfs/dbraw/zinc/95/38/11/1194953811.db2.gz LRSNDJIHFRQZAE-DZGCQCFKSA-N 1 0 390.444 0.507 20 5 GCBDRO C[N@H+](CCCN1CCCC1=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515411518 1194973356 /nfs/dbraw/zinc/97/33/56/1194973356.db2.gz YDVWNJPBDBDZHJ-UHFFFAOYSA-N 1 0 384.458 0.817 20 5 GCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000515535969 1194982024 /nfs/dbraw/zinc/98/20/24/1194982024.db2.gz QOMIJBXOMHSEEY-KRWDZBQOSA-N 1 0 387.440 0.269 20 5 GCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000515535970 1194982042 /nfs/dbraw/zinc/98/20/42/1194982042.db2.gz QOMIJBXOMHSEEY-QGZVFWFLSA-N 1 0 387.440 0.269 20 5 GCBDRO O=C(CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1 ZINC000516554879 1195068734 /nfs/dbraw/zinc/06/87/34/1195068734.db2.gz VNRQHUDIMFIZHT-UHFFFAOYSA-N 1 0 391.428 0.579 20 5 GCBDRO O=C1NC(=O)C2(CCC([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000517558455 1195190760 /nfs/dbraw/zinc/19/07/60/1195190760.db2.gz VMVSEIZCRVGYRI-JKGQDXBKSA-N 1 0 378.385 0.445 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000517738155 1195211243 /nfs/dbraw/zinc/21/12/43/1195211243.db2.gz DPHXLEWFFVXDNX-ZIAGYGMSSA-N 1 0 379.465 0.333 20 5 GCBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000518514671 1195299536 /nfs/dbraw/zinc/29/95/36/1195299536.db2.gz HNNLZXYDCYYCAX-CQSZACIVSA-N 1 0 375.429 0.441 20 5 GCBDRO [NH3+]C1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000518766874 1195328167 /nfs/dbraw/zinc/32/81/67/1195328167.db2.gz YISIPOCPVAUTPS-CQSZACIVSA-N 1 0 382.442 0.746 20 5 GCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000518888979 1195342555 /nfs/dbraw/zinc/34/25/55/1195342555.db2.gz QPUPZUOUNRXBNP-UHFFFAOYSA-N 1 0 398.485 0.708 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000440077362 1195382543 /nfs/dbraw/zinc/38/25/43/1195382543.db2.gz VZYYZXGAVNYSSS-CYBMUJFWSA-N 1 0 386.474 0.908 20 5 GCBDRO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000440334941 1195407622 /nfs/dbraw/zinc/40/76/22/1195407622.db2.gz BZVZBIKJJMTNCB-HNNXBMFYSA-N 1 0 396.469 0.568 20 5 GCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440365938 1195411844 /nfs/dbraw/zinc/41/18/44/1195411844.db2.gz QICFBHCONODFGE-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000519639412 1195561170 /nfs/dbraw/zinc/56/11/70/1195561170.db2.gz IQEDNMHLUXBKFA-INIZCTEOSA-N 1 0 386.474 0.180 20 5 GCBDRO CS(=O)(=O)NC[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067377063 1195739755 /nfs/dbraw/zinc/73/97/55/1195739755.db2.gz ULBDDNVYBMSCFK-XJKSGUPXSA-N 1 0 396.469 0.961 20 5 GCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000729506238 1195777604 /nfs/dbraw/zinc/77/76/04/1195777604.db2.gz OVZDXSMOBVGTGG-HOTGVXAUSA-N 1 0 390.444 0.685 20 5 GCBDRO C[C@@H](C[NH3+])CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000441629192 1195801727 /nfs/dbraw/zinc/80/17/27/1195801727.db2.gz VXNFHSMSWXICKA-STQMWFEESA-N 1 0 384.458 0.707 20 5 GCBDRO CC(C)(O)C[NH+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520694516 1195824315 /nfs/dbraw/zinc/82/43/15/1195824315.db2.gz WFAOFBDALAVXNV-UHFFFAOYSA-N 1 0 393.444 0.309 20 5 GCBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428182910 1195916857 /nfs/dbraw/zinc/91/68/57/1195916857.db2.gz KVBASHGVJMUUMF-NSHDSACASA-N 1 0 384.820 0.906 20 5 GCBDRO COc1ccc(CSCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000428193868 1195919339 /nfs/dbraw/zinc/91/93/39/1195919339.db2.gz CMADZZBKIXHCRX-UHFFFAOYSA-N 1 0 396.469 0.727 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000520810275 1195923923 /nfs/dbraw/zinc/92/39/23/1195923923.db2.gz LHAUZUHDLOQBJH-UHOFOFEASA-N 1 0 396.469 0.849 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000441976042 1195935537 /nfs/dbraw/zinc/93/55/37/1195935537.db2.gz KPKLGZAMSFJQJU-GFCCVEGCSA-N 1 0 377.401 0.237 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521676658 1196009831 /nfs/dbraw/zinc/00/98/31/1196009831.db2.gz CVRAKZGSYGDHQN-INIZCTEOSA-N 1 0 386.412 0.850 20 5 GCBDRO C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895247522 1196067781 /nfs/dbraw/zinc/06/77/81/1196067781.db2.gz VIBCPUHHZAXNOX-MLGOLLRUSA-N 1 0 385.490 0.891 20 5 GCBDRO CN(C)S(=O)(=O)CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000509623645 1196076855 /nfs/dbraw/zinc/07/68/55/1196076855.db2.gz FJPPRRYKDYXDSF-UHFFFAOYSA-N 1 0 396.473 0.875 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067483124 1196080719 /nfs/dbraw/zinc/08/07/19/1196080719.db2.gz HAFYWIKTIOGEKE-CQSZACIVSA-N 1 0 387.444 0.931 20 5 GCBDRO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895681652 1196108526 /nfs/dbraw/zinc/10/85/26/1196108526.db2.gz STQBXEKAFRKLQD-UHFFFAOYSA-N 1 0 375.429 0.749 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CCN2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000474361634 1196111623 /nfs/dbraw/zinc/11/16/23/1196111623.db2.gz DUOKXUDFQPVHTH-UHFFFAOYSA-N 1 0 394.428 0.400 20 5 GCBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000474362678 1196112025 /nfs/dbraw/zinc/11/20/25/1196112025.db2.gz JZJNZBPHXWQPDM-CQSZACIVSA-N 1 0 395.412 0.874 20 5 GCBDRO CN(CC[N@H+](C)C1CC1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474587052 1196128716 /nfs/dbraw/zinc/12/87/16/1196128716.db2.gz WWIIYYAXEATXPR-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896547971 1196159421 /nfs/dbraw/zinc/15/94/21/1196159421.db2.gz GUYNRHLCGPHTMV-RHSMWYFYSA-N 1 0 391.472 0.796 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896547973 1196159498 /nfs/dbraw/zinc/15/94/98/1196159498.db2.gz GUYNRHLCGPHTMV-YOEHRIQHSA-N 1 0 391.472 0.796 20 5 GCBDRO O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000262302473 1196210128 /nfs/dbraw/zinc/21/01/28/1196210128.db2.gz LBGQGCXGWNJUMW-ZDUSSCGKSA-N 1 0 382.442 0.427 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000280948093 1196268295 /nfs/dbraw/zinc/26/82/95/1196268295.db2.gz XAAHDNPHHPMTQV-QRVBRYPASA-N 1 0 387.440 0.737 20 5 GCBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280949044 1196268464 /nfs/dbraw/zinc/26/84/64/1196268464.db2.gz MCVXYXAIGFWHPP-OLZOCXBDSA-N 1 0 384.458 0.862 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000281117223 1196276561 /nfs/dbraw/zinc/27/65/61/1196276561.db2.gz RXYPEWCLVJGJAL-UHFFFAOYSA-N 1 0 394.428 0.466 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000281191106 1196282910 /nfs/dbraw/zinc/28/29/10/1196282910.db2.gz KGZOAKKCRXLELX-VXGBXAGGSA-N 1 0 382.442 0.615 20 5 GCBDRO CC(C)C[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000281255241 1196285641 /nfs/dbraw/zinc/28/56/41/1196285641.db2.gz UUXSGKSQROQCKF-UHFFFAOYSA-N 1 0 384.458 0.673 20 5 GCBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281420366 1196294357 /nfs/dbraw/zinc/29/43/57/1196294357.db2.gz BDNKRGWPSRIUCC-KBPBESRZSA-N 1 0 378.429 0.628 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281498935 1196300690 /nfs/dbraw/zinc/30/06/90/1196300690.db2.gz ONZMMPWNUPPIPT-QWHCGFSZSA-N 1 0 394.428 0.389 20 5 GCBDRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1-c1ncc([N+](=O)[O-])cn1 ZINC001168049493 1196315234 /nfs/dbraw/zinc/31/52/34/1196315234.db2.gz FCXUDPYUZZUMBH-UHFFFAOYSA-N 1 0 393.367 0.964 20 5 GCBDRO C[N@@H+]1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000281679374 1196322322 /nfs/dbraw/zinc/32/23/22/1196322322.db2.gz FABWYDLSUGXNDR-UHFFFAOYSA-N 1 0 377.445 0.467 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCOC)CC[NH+](C)C ZINC000281699393 1196323960 /nfs/dbraw/zinc/32/39/60/1196323960.db2.gz PJYKSXIQDOCINF-UHFFFAOYSA-N 1 0 382.417 0.969 20 5 GCBDRO Cc1ccc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281929055 1196348317 /nfs/dbraw/zinc/34/83/17/1196348317.db2.gz JXHMHZYEKGTSKR-UHFFFAOYSA-N 1 0 377.445 0.984 20 5 GCBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444161813 1196355105 /nfs/dbraw/zinc/35/51/05/1196355105.db2.gz QGSOGZZMGCUHDJ-WBVHZDCISA-N 1 0 394.453 0.427 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000053305153 1196403995 /nfs/dbraw/zinc/40/39/95/1196403995.db2.gz MGSIQQFGVCATNT-CQSZACIVSA-N 1 0 377.445 0.419 20 5 GCBDRO Cn1c2cc([N+](=O)[O-])c(N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)cc2n(C)c1=O ZINC000897218057 1196406059 /nfs/dbraw/zinc/40/60/59/1196406059.db2.gz AOQUMBDWSKMYFQ-QWHCGFSZSA-N 1 0 375.429 0.821 20 5 GCBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000444544631 1196502689 /nfs/dbraw/zinc/50/26/89/1196502689.db2.gz KBXLHUDGNCEYEA-OAHLLOKOSA-N 1 0 390.396 0.697 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440508664 1196512769 /nfs/dbraw/zinc/51/27/69/1196512769.db2.gz CODKUZCCTZESDG-IBGZPJMESA-N 1 0 386.408 0.510 20 5 GCBDRO COc1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000467491987 1196527034 /nfs/dbraw/zinc/52/70/34/1196527034.db2.gz BMZVTKGQCSVRLW-KRWDZBQOSA-N 1 0 383.401 0.425 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523708808 1196552591 /nfs/dbraw/zinc/55/25/91/1196552591.db2.gz ZCZXQVZLIOQAHW-LBPRGKRZSA-N 1 0 397.457 0.409 20 5 GCBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440738233 1196569521 /nfs/dbraw/zinc/56/95/21/1196569521.db2.gz UHYGRBGGLWSPDE-UHFFFAOYSA-N 1 0 393.425 0.195 20 5 GCBDRO C[C@H](CC[NH+](C)C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000523986436 1196570181 /nfs/dbraw/zinc/57/01/81/1196570181.db2.gz DHCFYWYDFJWWLQ-GFCCVEGCSA-N 1 0 387.462 0.513 20 5 GCBDRO Cn1cnc(CCNc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC000447079979 1196690834 /nfs/dbraw/zinc/69/08/34/1196690834.db2.gz YOTRMJVXZIUAOT-UHFFFAOYSA-N 1 0 397.461 0.218 20 5 GCBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441194536 1196691990 /nfs/dbraw/zinc/69/19/90/1196691990.db2.gz ZCOUTBOSGBGVHJ-RISCZKNCSA-N 1 0 383.430 0.493 20 5 GCBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509657289 1196736141 /nfs/dbraw/zinc/73/61/41/1196736141.db2.gz LRHAUWYAFJUENP-CHWSQXEVSA-N 1 0 384.458 0.766 20 5 GCBDRO CN1CC[NH+](CCCCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000527460205 1196786236 /nfs/dbraw/zinc/78/62/36/1196786236.db2.gz KDLWEXKMZBVJKW-UHFFFAOYSA-N 1 0 381.408 0.816 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000448497267 1196810656 /nfs/dbraw/zinc/81/06/56/1196810656.db2.gz VGOYILMMZIDGMI-UHFFFAOYSA-N 1 0 390.400 0.616 20 5 GCBDRO COc1nccnc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449319320 1196869306 /nfs/dbraw/zinc/86/93/06/1196869306.db2.gz JMBMBECRFWHYPD-UHFFFAOYSA-N 1 0 381.414 0.762 20 5 GCBDRO Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000452017565 1197031631 /nfs/dbraw/zinc/03/16/31/1197031631.db2.gz AYLYSNREBPJVBW-AWEZNQCLSA-N 1 0 396.469 0.878 20 5 GCBDRO CCn1cc(S(=O)(=O)NC(C)(C)CN2CC[NH+](CC)CC2)c([N+](=O)[O-])n1 ZINC000452052699 1197036381 /nfs/dbraw/zinc/03/63/81/1197036381.db2.gz WGXWXPJVAUTWRH-UHFFFAOYSA-N 1 0 388.494 0.506 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347058 1197053400 /nfs/dbraw/zinc/05/34/00/1197053400.db2.gz HXGKQPOCKOXXOY-HNNXBMFYSA-N 1 0 378.429 0.596 20 5 GCBDRO COCC[N@H+](C)CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531484769 1197079279 /nfs/dbraw/zinc/07/92/79/1197079279.db2.gz SRYZAYWCCXVCPJ-UHFFFAOYSA-N 1 0 380.449 0.790 20 5 GCBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000531506276 1197079834 /nfs/dbraw/zinc/07/98/34/1197079834.db2.gz IDWQPOZKBLZLJL-UHFFFAOYSA-N 1 0 392.412 0.854 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452793813 1197082207 /nfs/dbraw/zinc/08/22/07/1197082207.db2.gz HYVIXHRDQOTIPT-HIFRSBDPSA-N 1 0 378.429 0.676 20 5 GCBDRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])C2=O)cn1 ZINC000520220214 1197092585 /nfs/dbraw/zinc/09/25/85/1197092585.db2.gz VGSDPTIMAUNUOR-UONOGXRCSA-N 1 0 375.385 0.463 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000531976421 1197105824 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/nfs/dbraw/zinc/24/38/00/1197243800.db2.gz QMTZELDPFPLHNF-LBPRGKRZSA-N 1 0 397.457 0.192 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429728776 1197333215 /nfs/dbraw/zinc/33/32/15/1197333215.db2.gz ZROXAUAZQDRYPL-VNQPRFMTSA-N 1 0 387.458 0.785 20 5 GCBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 ZINC001211926206 1197361256 /nfs/dbraw/zinc/36/12/56/1197361256.db2.gz AGKZTCFFGIHVCA-UHFFFAOYSA-N 1 0 384.414 0.734 20 5 GCBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536604994 1197375934 /nfs/dbraw/zinc/37/59/34/1197375934.db2.gz OPJVKXOVCLGIKX-QWHCGFSZSA-N 1 0 384.458 0.814 20 5 GCBDRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000148543827 1197384263 /nfs/dbraw/zinc/38/42/63/1197384263.db2.gz XKGHPOHCTAMDRH-UHFFFAOYSA-N 1 0 380.401 0.769 20 5 GCBDRO C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000429740898 1197404515 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TUFWLSCGVAXRJK-MRXNPFEDSA-N 1 0 382.442 0.427 20 5 GCBDRO [NH3+]CC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000429755609 1197553968 /nfs/dbraw/zinc/55/39/68/1197553968.db2.gz YGHMLHSVXBWCDR-UHFFFAOYSA-N 1 0 396.469 0.947 20 5 GCBDRO CC(C)(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000428630801 1197558514 /nfs/dbraw/zinc/55/85/14/1197558514.db2.gz LTRGQJVDXQXCAW-CYBMUJFWSA-N 1 0 378.433 0.197 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H](CO)CC(F)F)c([N+](=O)[O-])c1 ZINC000428694158 1197574017 /nfs/dbraw/zinc/57/40/17/1197574017.db2.gz SGEWIRWDSZHNJF-SNVBAGLBSA-N 1 0 396.416 0.863 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273396032 1198976336 /nfs/dbraw/zinc/97/63/36/1198976336.db2.gz VQPRSLIZXYXMKP-RDJZCZTQSA-N 1 0 392.456 0.573 20 5 GCBDRO CC(C)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000273463639 1199012237 /nfs/dbraw/zinc/01/22/37/1199012237.db2.gz IRJKUHOBZKGINR-AWEZNQCLSA-N 1 0 385.490 0.926 20 5 GCBDRO CN1CC[NH+](CC2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)CC1 ZINC000273487095 1199021842 /nfs/dbraw/zinc/02/18/42/1199021842.db2.gz OCNKFLYOPMYYJN-UHFFFAOYSA-N 1 0 397.501 0.706 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000465736924 1199039140 /nfs/dbraw/zinc/03/91/40/1199039140.db2.gz LOJHGIBLAPUZQX-CHWSQXEVSA-N 1 0 399.473 0.655 20 5 GCBDRO C[C@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465768087 1199058991 /nfs/dbraw/zinc/05/89/91/1199058991.db2.gz GVPIHYKAPPLNOD-QWHCGFSZSA-N 1 0 399.473 0.655 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465768088 1199059559 /nfs/dbraw/zinc/05/95/59/1199059559.db2.gz GVPIHYKAPPLNOD-STQMWFEESA-N 1 0 399.473 0.655 20 5 GCBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000265841516 1199609369 /nfs/dbraw/zinc/60/93/69/1199609369.db2.gz SPPPKGLNEKGSQO-ZDUSSCGKSA-N 1 0 386.474 0.643 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000466527533 1199768950 /nfs/dbraw/zinc/76/89/50/1199768950.db2.gz FOLDPGCVIVJFIH-UHFFFAOYSA-N 1 0 394.428 0.466 20 5 GCBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330601202 1199859095 /nfs/dbraw/zinc/85/90/95/1199859095.db2.gz GGEPYEUXTLEKFL-QWHCGFSZSA-N 1 0 384.458 0.814 20 5 GCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330787895 1199861438 /nfs/dbraw/zinc/86/14/38/1199861438.db2.gz XXCUHCQZAQAAGX-HNNXBMFYSA-N 1 0 382.442 0.522 20 5 GCBDRO COc1c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000331078634 1199865717 /nfs/dbraw/zinc/86/57/17/1199865717.db2.gz WRZISBIGQPADAB-OAHLLOKOSA-N 1 0 376.413 0.982 20 5 GCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000282413667 1199907105 /nfs/dbraw/zinc/90/71/05/1199907105.db2.gz IFMNUNAEXRRUOX-LLVKDONJSA-N 1 0 381.408 0.733 20 5 GCBDRO 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O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+][C@@H](CO)[C@@H]2CCOC2)CC1 ZINC001173698179 1205726540 /nfs/dbraw/zinc/72/65/40/1205726540.db2.gz VTDDZRCXZHSQRU-HIFRSBDPSA-N 1 0 399.469 0.735 20 5 GCBDRO C[C@]1(O)COCC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695587 1205726567 /nfs/dbraw/zinc/72/65/67/1205726567.db2.gz HORKZCHLHWPGKU-QGZVFWFLSA-N 1 0 399.469 0.831 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC001173693598 1205726804 /nfs/dbraw/zinc/72/68/04/1205726804.db2.gz ULLBTELVZGZAGW-OAHLLOKOSA-N 1 0 398.485 0.404 20 5 GCBDRO Cn1nc2c(c1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)COCC2 ZINC001177785193 1205776921 /nfs/dbraw/zinc/77/69/21/1205776921.db2.gz UDVIWPBYBOKPMT-UHFFFAOYSA-N 1 0 395.441 0.469 20 5 GCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008630 1205799303 /nfs/dbraw/zinc/79/93/03/1205799303.db2.gz OTYYJVXTEISUJL-AAEUAGOBSA-N 1 0 378.385 0.382 20 5 GCBDRO CN1CC[NH+](C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC001187362134 1205961158 /nfs/dbraw/zinc/96/11/58/1205961158.db2.gz UUOHUAKMROHYBJ-UHFFFAOYSA-N 1 0 383.474 0.458 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001187824129 1205969489 /nfs/dbraw/zinc/96/94/89/1205969489.db2.gz OMJDOGDCXXDXGR-GJZGRUSLSA-N 1 0 398.485 0.881 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164848637 720846266 /nfs/dbraw/zinc/84/62/66/720846266.db2.gz APOUHMIIRXMMLR-CZUORRHYSA-N 1 0 394.428 0.950 20 5 GCBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164751326 720948796 /nfs/dbraw/zinc/94/87/96/720948796.db2.gz PEZNQQGVCSXKQS-UHFFFAOYSA-N 1 0 378.364 0.971 20 5 GCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN(CCc2ccccn2)CC1 ZINC001165053255 722009973 /nfs/dbraw/zinc/00/99/73/722009973.db2.gz CVWRUKPDBFFOPF-UHFFFAOYSA-N 1 0 398.471 0.554 20 5 GCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823651535 946463017 /nfs/dbraw/zinc/46/30/17/946463017.db2.gz NCPGJJCMCDXNKH-UHFFFAOYSA-N 1 0 383.416 0.789 20 5 GCBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000825934297 947374152 /nfs/dbraw/zinc/37/41/52/947374152.db2.gz LYBUXLKROZLICK-ZDUSSCGKSA-N 1 0 387.404 0.678 20 5 GCBDRO CS(=O)(=O)N1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514598737 530272128 /nfs/dbraw/zinc/27/21/28/530272128.db2.gz JRCRTEVUJWFCHV-LBPRGKRZSA-N 1 0 391.471 0.382 20 5 GCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000478612036 530258386 /nfs/dbraw/zinc/25/83/86/530258386.db2.gz RADQQZAEOKVKCP-VIFPVBQESA-N 1 0 380.220 0.706 20 5 GCBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCO1 ZINC000274721006 530463022 /nfs/dbraw/zinc/46/30/22/530463022.db2.gz BFMPNWPNSQXWPN-VIFPVBQESA-N 1 0 391.165 0.999 20 5 GCBDRO COc1c(S(=O)(=O)NC2C[NH2+]C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000572000122 530509463 /nfs/dbraw/zinc/50/94/63/530509463.db2.gz MRVNSUNIKHZXDQ-UHFFFAOYSA-N 1 0 380.220 0.924 20 5 GCBDRO O=C1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000584781026 530511930 /nfs/dbraw/zinc/51/19/30/530511930.db2.gz CBQQNBTXFFASDD-YGRLFVJLSA-N 1 0 388.471 0.581 20 5 GCBDRO C[NH+](C)CCOCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000544389534 530573561 /nfs/dbraw/zinc/57/35/61/530573561.db2.gz QLGGTXPZCBQCDW-UHFFFAOYSA-N 1 0 375.403 0.223 20 5 GCBDRO CCn1cc(S(=O)(=O)N(C)CCC[N@H+](C)CCN(C)C)c([N+](=O)[O-])n1 ZINC000588903652 530656795 /nfs/dbraw/zinc/65/67/95/530656795.db2.gz VJHJFJMDWIVETF-UHFFFAOYSA-N 1 0 376.483 0.315 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000545865073 530686246 /nfs/dbraw/zinc/68/62/46/530686246.db2.gz BLHCVHSDCLESDO-LBPRGKRZSA-N 1 0 394.247 0.702 20 5 GCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000440844126 530696175 /nfs/dbraw/zinc/69/61/75/530696175.db2.gz IBHKPRQXEYYBBQ-ZJUUUORDSA-N 1 0 377.394 0.869 20 5 GCBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591725168 530727094 /nfs/dbraw/zinc/72/70/94/530727094.db2.gz FQWKXTMWDONAOP-ZDUSSCGKSA-N 1 0 375.447 0.642 20 5 GCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000370420258 530887878 /nfs/dbraw/zinc/88/78/78/530887878.db2.gz GNRSCYJBHNBWFM-MRVPVSSYSA-N 1 0 380.220 0.706 20 5 GCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000372221975 530891456 /nfs/dbraw/zinc/89/14/56/530891456.db2.gz LNKLNXWZWXTNNM-QMMMGPOBSA-N 1 0 380.220 0.706 20 5 GCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000443309899 530896965 /nfs/dbraw/zinc/89/69/65/530896965.db2.gz GLSKPUNVINRICQ-UHFFFAOYSA-N 1 0 375.447 0.464 20 5 GCBDRO Cc1ccc(S(=O)(=O)N(CCOCCO)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000443320155 530897342 /nfs/dbraw/zinc/89/73/42/530897342.db2.gz YOMKTGZLWMNCOC-UHFFFAOYSA-N 1 0 375.447 0.464 20 5 GCBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564079020 530947436 /nfs/dbraw/zinc/94/74/36/530947436.db2.gz ZDHOJFMFKDDCGE-LLVKDONJSA-N 1 0 379.460 0.286 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416451084 531030772 /nfs/dbraw/zinc/03/07/72/531030772.db2.gz ATDREOLIRQTUTL-GFCCVEGCSA-N 1 0 383.348 0.959 20 5 GCBDRO CN1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000577117259 531114421 /nfs/dbraw/zinc/11/44/21/531114421.db2.gz OZWAKWFFYPZHPV-LLVKDONJSA-N 1 0 393.263 0.621 20 5 GCBDRO C[NH+]1CCN(C[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CCO2)CC1 ZINC000736864029 598337275 /nfs/dbraw/zinc/33/72/75/598337275.db2.gz OHOJWYICFRSHRN-CQSZACIVSA-N 1 0 388.432 0.228 20 5 GCBDRO CCOC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736609371 598338958 /nfs/dbraw/zinc/33/89/58/598338958.db2.gz QEWVPPBOBAZBJI-CYBMUJFWSA-N 1 0 377.405 0.294 20 5 GCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736745314 598500758 /nfs/dbraw/zinc/50/07/58/598500758.db2.gz GALLZAIQQLJZMC-CYBMUJFWSA-N 1 0 389.420 0.525 20 5 GCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736745317 598500800 /nfs/dbraw/zinc/50/08/00/598500800.db2.gz GALLZAIQQLJZMC-ZDUSSCGKSA-N 1 0 389.420 0.525 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736535156 598755688 /nfs/dbraw/zinc/75/56/88/598755688.db2.gz UILPWFBCFVHNPC-UHFFFAOYSA-N 1 0 388.432 0.765 20 5 GCBDRO CN1CC[NH+](CC2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)CC1 ZINC000821627012 606701273 /nfs/dbraw/zinc/70/12/73/606701273.db2.gz JFDGUATWATXNDI-UHFFFAOYSA-N 1 0 387.448 0.634 20 5 GCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@]1(N2CCOCC2)CCSC1 ZINC000823619974 606702209 /nfs/dbraw/zinc/70/22/09/606702209.db2.gz DNZCUEQPLOZWLO-OAHLLOKOSA-N 1 0 392.445 0.790 20 5 GCBDRO COc1cc[nH+]c(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)c1 ZINC000821903470 606707753 /nfs/dbraw/zinc/70/77/53/606707753.db2.gz GWCNBKRMLHOZTQ-UHFFFAOYSA-N 1 0 383.372 0.900 20 5 GCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821575648 606709692 /nfs/dbraw/zinc/70/96/92/606709692.db2.gz KCELQKPUJDPPIW-UHFFFAOYSA-N 1 0 389.420 0.525 20 5 GCBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821625980 606709946 /nfs/dbraw/zinc/70/99/46/606709946.db2.gz ZRINAYFXIDSTJM-ZDUSSCGKSA-N 1 0 387.448 0.776 20 5 GCBDRO Cn1c(Sc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000822604537 606711244 /nfs/dbraw/zinc/71/12/44/606711244.db2.gz HALYUELHPZENOX-MRVPVSSYSA-N 1 0 388.417 0.917 20 5 GCBDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000821586008 607114098 /nfs/dbraw/zinc/11/40/98/607114098.db2.gz FSCCFWYCXLOACX-UHFFFAOYSA-N 1 0 384.404 0.715 20 5 GCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000825000323 608150817 /nfs/dbraw/zinc/15/08/17/608150817.db2.gz ONRLLRNDLQQTPQ-DOMZBBRYSA-N 1 0 387.448 0.632 20 5 GCBDRO C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824999952 608150950 /nfs/dbraw/zinc/15/09/50/608150950.db2.gz LFOQHXURBSNTPF-JSGCOSHPSA-N 1 0 387.448 0.632 20 5 GCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000825866271 609577009 /nfs/dbraw/zinc/57/70/09/609577009.db2.gz UOKCVDSXIYUZAH-UHFFFAOYSA-N 1 0 399.415 0.712 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000161460677 638549737 /nfs/dbraw/zinc/54/97/37/638549737.db2.gz NKZDHEGRISGULA-LBPRGKRZSA-N 1 0 396.263 0.948 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000262761119 639137017 /nfs/dbraw/zinc/13/70/17/639137017.db2.gz RORASAGCVXOFJP-SNVBAGLBSA-N 1 0 390.849 0.724 20 5 GCBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000899731686 639271231 /nfs/dbraw/zinc/27/12/31/639271231.db2.gz GFIQSPGKVVHUGH-UHFFFAOYSA-N 1 0 393.181 0.853 20 5 GCBDRO C[NH+](C)CCCNC(=S)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000734980464 640007277 /nfs/dbraw/zinc/00/72/77/640007277.db2.gz BCIXTIHITOCGAM-UHFFFAOYSA-N 1 0 389.503 0.289 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768838146 640762143 /nfs/dbraw/zinc/76/21/43/640762143.db2.gz ZATDUEMOGXBEIW-UHFFFAOYSA-N 1 0 390.487 0.831 20 5 GCBDRO COCC[NH2+]CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193361514 642058317 /nfs/dbraw/zinc/05/83/17/642058317.db2.gz DFZPJHOBZVHFTO-UHFFFAOYSA-N 1 0 382.236 0.872 20 5 GCBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)C(=O)NC1C[NH2+]C1 ZINC000841174669 642291296 /nfs/dbraw/zinc/29/12/96/642291296.db2.gz MWFRSARVAANIOF-UHFFFAOYSA-N 1 0 390.137 0.226 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000841217460 642292005 /nfs/dbraw/zinc/29/20/05/642292005.db2.gz OOHZJIJQKQYAAM-SECBINFHSA-N 1 0 387.190 0.482 20 5 GCBDRO COCC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000842825201 642353291 /nfs/dbraw/zinc/35/32/91/642353291.db2.gz LTMXJVJBCLSSCK-UHFFFAOYSA-N 1 0 376.391 0.634 20 5 GCBDRO CN1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000844225920 642398106 /nfs/dbraw/zinc/39/81/06/642398106.db2.gz APIOMDMBDBIZDM-SNVBAGLBSA-N 1 0 393.263 0.621 20 5 GCBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000164471192 1192165329 /nfs/dbraw/zinc/16/53/29/1192165329.db2.gz RIFPCGYYGXPPFP-ZIAGYGMSSA-N 1 0 378.433 0.240 20 5 GCBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423155596 1192183023 /nfs/dbraw/zinc/18/30/23/1192183023.db2.gz QXCLJBJOJQKNIX-IBGZPJMESA-N 1 0 387.440 0.598 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000567834056 1192246815 /nfs/dbraw/zinc/24/68/15/1192246815.db2.gz ICIBTDOSDUJQLV-UHFFFAOYSA-N 1 0 377.445 0.457 20 5 GCBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000563120131 1192347864 /nfs/dbraw/zinc/34/78/64/1192347864.db2.gz SFMHZUQYJDEQJC-CYBMUJFWSA-N 1 0 384.458 0.687 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000066982716 1192401812 /nfs/dbraw/zinc/40/18/12/1192401812.db2.gz KFIUUIDKAQVSFR-UHFFFAOYSA-N 1 0 399.473 0.658 20 5 GCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCN2C1=O ZINC000570060975 1192404482 /nfs/dbraw/zinc/40/44/82/1192404482.db2.gz ZROPISYHDPVWHT-HUUCEWRRSA-N 1 0 387.440 0.582 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)CCO1 ZINC000163068694 1192411836 /nfs/dbraw/zinc/41/18/36/1192411836.db2.gz RPFHXANUZWWQJV-NHYWBVRUSA-N 1 0 378.385 0.858 20 5 GCBDRO CN1C(=O)N[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000585797717 1192414799 /nfs/dbraw/zinc/41/47/99/1192414799.db2.gz YWTHZDAFRPARHH-OLZOCXBDSA-N 1 0 375.385 0.991 20 5 GCBDRO C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066986899 1192467658 /nfs/dbraw/zinc/46/76/58/1192467658.db2.gz OPCPNXAWFIPRIK-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO 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 1192480712 /nfs/dbraw/zinc/48/07/12/1192480712.db2.gz GHWCORSFUHZJBS-BETUJISGSA-N 1 0 390.396 0.648 20 5 GCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001167895189 1192600562 /nfs/dbraw/zinc/60/05/62/1192600562.db2.gz GHGYKNHXKOADHA-ZCFIWIBFSA-N 1 0 381.798 0.134 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418620729 1192620189 /nfs/dbraw/zinc/62/01/89/1192620189.db2.gz REYXGDCGHHDCCK-LBPRGKRZSA-N 1 0 385.446 0.266 20 5 GCBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418756588 1192640433 /nfs/dbraw/zinc/64/04/33/1192640433.db2.gz CXMHUQOLAQWXHI-OAHLLOKOSA-N 1 0 377.401 0.051 20 5 GCBDRO 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CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000584193906 1187013601 /nfs/dbraw/zinc/01/36/01/1187013601.db2.gz KWEUJMHUKRLBGO-UHFFFAOYSA-N 1 0 380.449 0.549 20 5 GCBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000584290068 1187027135 /nfs/dbraw/zinc/02/71/35/1187027135.db2.gz AVYUNMSEIIDBKB-UHFFFAOYSA-N 1 0 383.372 0.561 20 5 GCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278754053 1187048704 /nfs/dbraw/zinc/04/87/04/1187048704.db2.gz BCBHORBQPHFYDO-CVEARBPZSA-N 1 0 399.469 0.834 20 5 GCBDRO COc1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611863868 1187065982 /nfs/dbraw/zinc/06/59/82/1187065982.db2.gz ZRFIRQUDEOWJLN-UHFFFAOYSA-N 1 0 393.444 0.684 20 5 GCBDRO COCCNC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612058441 1187246702 /nfs/dbraw/zinc/24/67/02/1187246702.db2.gz GQKYTNSBBGKLQF-HNNXBMFYSA-N 1 0 381.429 0.809 20 5 GCBDRO 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O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000411835210 1187518103 /nfs/dbraw/zinc/51/81/03/1187518103.db2.gz SEYGYXGXOSZZLY-INIZCTEOSA-N 1 0 399.469 0.834 20 5 GCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000065974703 1187520309 /nfs/dbraw/zinc/52/03/09/1187520309.db2.gz IVPLDDPQINGZHP-UHFFFAOYSA-N 1 0 398.485 0.982 20 5 GCBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1F ZINC000411892914 1187529989 /nfs/dbraw/zinc/52/99/89/1187529989.db2.gz NGQCIGMDNAFUNG-LBPRGKRZSA-N 1 0 396.419 0.989 20 5 GCBDRO COC(=O)[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[N@H+](C)C1 ZINC000411905355 1187531748 /nfs/dbraw/zinc/53/17/48/1187531748.db2.gz BIBZAESIFHGJLV-CYBMUJFWSA-N 1 0 394.428 0.969 20 5 GCBDRO CC[NH+](CC)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066360024 1187673372 /nfs/dbraw/zinc/67/33/72/1187673372.db2.gz GDPUYYNQORBPAV-UHFFFAOYSA-N 1 0 387.462 0.514 20 5 GCBDRO 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C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000377467577 1188029570 /nfs/dbraw/zinc/02/95/70/1188029570.db2.gz GYWRUOATAXXKKH-KRWDZBQOSA-N 1 0 398.485 0.786 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415371549 1188063800 /nfs/dbraw/zinc/06/38/00/1188063800.db2.gz PTBPPYDUSAXKBY-LBPRGKRZSA-N 1 0 377.401 0.155 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415366365 1188064441 /nfs/dbraw/zinc/06/44/41/1188064441.db2.gz DXQGIYFFGBFYRP-CYBMUJFWSA-N 1 0 391.428 0.464 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415366366 1188064526 /nfs/dbraw/zinc/06/45/26/1188064526.db2.gz DXQGIYFFGBFYRP-ZDUSSCGKSA-N 1 0 391.428 0.464 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415453512 1188083995 /nfs/dbraw/zinc/08/39/95/1188083995.db2.gz LONSVJRTKKOEGM-CABZTGNLSA-N 1 0 378.385 0.824 20 5 GCBDRO O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415597094 1188118105 /nfs/dbraw/zinc/11/81/05/1188118105.db2.gz SYELIQVIFKNGKR-GOSISDBHSA-N 1 0 390.396 0.907 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415697939 1188142634 /nfs/dbraw/zinc/14/26/34/1188142634.db2.gz XKVUYUFEZIDBKO-QGZVFWFLSA-N 1 0 378.385 0.826 20 5 GCBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415698329 1188143342 /nfs/dbraw/zinc/14/33/42/1188143342.db2.gz WYAVFCZAHXEPKM-LBPRGKRZSA-N 1 0 389.334 0.486 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102165308 1188158038 /nfs/dbraw/zinc/15/80/38/1188158038.db2.gz QCURTMHTRMQDPH-ZDUSSCGKSA-N 1 0 379.392 0.870 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000290437334 1189407745 /nfs/dbraw/zinc/40/77/45/1189407745.db2.gz KSOHMFRZYUEVCQ-UHFFFAOYSA-N 1 0 377.445 0.849 20 5 GCBDRO O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@]1(F)CC[NH2+]C1 ZINC000378209613 1189443723 /nfs/dbraw/zinc/44/37/23/1189443723.db2.gz APFNUTHIYMFVNS-HNNXBMFYSA-N 1 0 386.405 0.129 20 5 GCBDRO CCN1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000104731178 1189490521 /nfs/dbraw/zinc/49/05/21/1189490521.db2.gz HAYBNMRYCKFTOX-UHFFFAOYSA-N 1 0 385.490 0.577 20 5 GCBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378407389 1189498391 /nfs/dbraw/zinc/49/83/91/1189498391.db2.gz WRQZIMGHYZSTLM-UHFFFAOYSA-N 1 0 394.384 0.802 20 5 GCBDRO Cc1cc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416371605 1189500301 /nfs/dbraw/zinc/50/03/01/1189500301.db2.gz LNLLCCRMAVOLCH-UHFFFAOYSA-N 1 0 384.458 0.606 20 5 GCBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000378506275 1189523251 /nfs/dbraw/zinc/52/32/51/1189523251.db2.gz PMWSROZEKUDWHC-CQSZACIVSA-N 1 0 392.412 0.460 20 5 GCBDRO C[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)(N2CCOCC2)CC1 ZINC000416576379 1189554614 /nfs/dbraw/zinc/55/46/14/1189554614.db2.gz DHHJXPKCPWKNJM-UHFFFAOYSA-N 1 0 398.485 0.670 20 5 GCBDRO C[NH+]1CCC(CNC(=O)Nc2ccncc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000416958859 1189602183 /nfs/dbraw/zinc/60/21/83/1189602183.db2.gz UQYLCMODDCIABX-UHFFFAOYSA-N 1 0 378.433 0.330 20 5 GCBDRO CC1(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000417279752 1189637931 /nfs/dbraw/zinc/63/79/31/1189637931.db2.gz JDXUFLGOFJYVKC-UHFFFAOYSA-N 1 0 399.473 0.562 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000417279263 1189640680 /nfs/dbraw/zinc/64/06/80/1189640680.db2.gz IKPVYBLCKAGZLR-BXUZGUMPSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289323 1189641003 /nfs/dbraw/zinc/64/10/03/1189641003.db2.gz ZVZZYQFVYBPPIF-NWDGAFQWSA-N 1 0 385.446 0.265 20 5 GCBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417307058 1189644131 /nfs/dbraw/zinc/64/41/31/1189644131.db2.gz DKPOEHQGORNSAN-BXUZGUMPSA-N 1 0 385.446 0.170 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417307640 1189644155 /nfs/dbraw/zinc/64/41/55/1189644155.db2.gz DWMFLJXREPBYIO-QWHCGFSZSA-N 1 0 397.457 0.124 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@H]1CC[NH2+]C1 ZINC000417309720 1189645247 /nfs/dbraw/zinc/64/52/47/1189645247.db2.gz FKDCXJJKJUMMFM-LBPRGKRZSA-N 1 0 385.446 0.172 20 5 GCBDRO CCCN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000417319838 1189646699 /nfs/dbraw/zinc/64/66/99/1189646699.db2.gz IJTWUEBSCADUHI-CQSZACIVSA-N 1 0 399.473 0.657 20 5 GCBDRO C[NH2+][C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417319245 1189646712 /nfs/dbraw/zinc/64/67/12/1189646712.db2.gz HJPHCLMMAKPSCJ-GFCCVEGCSA-N 1 0 385.446 0.267 20 5 GCBDRO CCCN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000417319834 1189646971 /nfs/dbraw/zinc/64/69/71/1189646971.db2.gz IJTWUEBSCADUHI-AWEZNQCLSA-N 1 0 399.473 0.657 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000417320965 1189646980 /nfs/dbraw/zinc/64/69/80/1189646980.db2.gz KVGWMGOZDBXJIZ-QWHCGFSZSA-N 1 0 399.473 0.499 20 5 GCBDRO C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417320976 1189646990 /nfs/dbraw/zinc/64/69/90/1189646990.db2.gz KYMUYIGXFMHWPO-GXTWGEPZSA-N 1 0 399.473 0.642 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417324587 1189647616 /nfs/dbraw/zinc/64/76/16/1189647616.db2.gz PXWGGPHDNOSSSJ-IUODEOHRSA-N 1 0 397.457 0.267 20 5 GCBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417333784 1189648557 /nfs/dbraw/zinc/64/85/57/1189648557.db2.gz ZDGGDPLYVRFUIV-BXUZGUMPSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337878 1189648896 /nfs/dbraw/zinc/64/88/96/1189648896.db2.gz JMEUAANXQQXJPD-RYUDHWBXSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000417336322 1189649264 /nfs/dbraw/zinc/64/92/64/1189649264.db2.gz HOAXSZIRFVMNJN-VXGBXAGGSA-N 1 0 385.446 0.265 20 5 GCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417345054 1189651602 /nfs/dbraw/zinc/65/16/02/1189651602.db2.gz STGVKJOSWPOKHG-ZDUSSCGKSA-N 1 0 385.446 0.267 20 5 GCBDRO COc1cccc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000584838226 1189688566 /nfs/dbraw/zinc/68/85/66/1189688566.db2.gz JHPMSZOTQSMXMC-CYBMUJFWSA-N 1 0 376.413 0.887 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000417675074 1189695256 /nfs/dbraw/zinc/69/52/56/1189695256.db2.gz BJSKEHQMLFXCKO-ZDUSSCGKSA-N 1 0 399.473 0.562 20 5 GCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417675417 1189695378 /nfs/dbraw/zinc/69/53/78/1189695378.db2.gz BXPOEVWOJFYYMG-VXGBXAGGSA-N 1 0 385.446 0.300 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000417675407 1189695512 /nfs/dbraw/zinc/69/55/12/1189695512.db2.gz BWPKEVVYSXWROS-CHWSQXEVSA-N 1 0 399.473 0.499 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417685558 1189696037 /nfs/dbraw/zinc/69/60/37/1189696037.db2.gz YNFBIIQHBHQBKA-QWHCGFSZSA-N 1 0 399.473 0.690 20 5 GCBDRO O=C(NCCC[NH2+]C1CC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417683540 1189696230 /nfs/dbraw/zinc/69/62/30/1189696230.db2.gz UWVHWBJORXYUOJ-UHFFFAOYSA-N 1 0 385.446 0.314 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417690733 1189696480 /nfs/dbraw/zinc/69/64/80/1189696480.db2.gz IQQHYALDYAEGAW-RYUDHWBXSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685214 1189696679 /nfs/dbraw/zinc/69/66/79/1189696679.db2.gz YCUJOSNYKXWTJU-VXGBXAGGSA-N 1 0 385.446 0.170 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000417700794 1189698238 /nfs/dbraw/zinc/69/82/38/1189698238.db2.gz MMGLCTRVWGZXGP-RYUDHWBXSA-N 1 0 385.446 0.252 20 5 GCBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418029155 1189714061 /nfs/dbraw/zinc/71/40/61/1189714061.db2.gz ZAOQKDDYZZRFDF-MRXNPFEDSA-N 1 0 382.442 0.764 20 5 GCBDRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418379325 1189770855 /nfs/dbraw/zinc/77/08/55/1189770855.db2.gz ISYNVJSSWSLZSC-CYBMUJFWSA-N 1 0 397.457 0.363 20 5 GCBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418383514 1189771809 /nfs/dbraw/zinc/77/18/09/1189771809.db2.gz JFEKVTRLLZVIPC-CYBMUJFWSA-N 1 0 399.473 0.466 20 5 GCBDRO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418380300 1189772582 /nfs/dbraw/zinc/77/25/82/1189772582.db2.gz WTQMAQMCPAFQNK-ZDUSSCGKSA-N 1 0 397.457 0.363 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000418397345 1189776644 /nfs/dbraw/zinc/77/66/44/1189776644.db2.gz JASFJNJKEIUZEP-OAHLLOKOSA-N 1 0 397.457 0.348 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418470422 1189794833 /nfs/dbraw/zinc/79/48/33/1189794833.db2.gz LICMIARWVZSODL-GFCCVEGCSA-N 1 0 399.473 0.425 20 5 GCBDRO [NH3+][C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000418503097 1189806141 /nfs/dbraw/zinc/80/61/41/1189806141.db2.gz WUMYWJCVXVASKD-CYBMUJFWSA-N 1 0 397.457 0.348 20 5 GCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC001648928204 1189917296 /nfs/dbraw/zinc/91/72/96/1189917296.db2.gz JLGYTURUWZWYGD-CJNGLKHVSA-N 1 0 396.469 0.816 20 5 GCBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419347844 1193844148 /nfs/dbraw/zinc/84/41/48/1193844148.db2.gz KJWHLMFQIHFYEN-INIZCTEOSA-N 1 0 378.429 0.528 20 5 GCBDRO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419353035 1193851644 /nfs/dbraw/zinc/85/16/44/1193851644.db2.gz JESYXJPUARQFDG-OAHLLOKOSA-N 1 0 392.412 0.985 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000419357576 1193859156 /nfs/dbraw/zinc/85/91/56/1193859156.db2.gz UKVZNZYKLOICSA-KGYLQXTDSA-N 1 0 386.412 0.673 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261994660 1193935209 /nfs/dbraw/zinc/93/52/09/1193935209.db2.gz YUPLPZUZHCDVJG-AWEZNQCLSA-N 1 0 382.442 0.379 20 5 GCBDRO CS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000513455212 1193952668 /nfs/dbraw/zinc/95/26/68/1193952668.db2.gz OXTKMPSMKTVSRE-GFCCVEGCSA-N 1 0 398.441 0.068 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182950462 1193965690 /nfs/dbraw/zinc/96/56/90/1193965690.db2.gz ZOBGZOSKMKOFTA-GOSISDBHSA-N 1 0 381.477 0.977 20 5 GCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000419850442 1194114822 /nfs/dbraw/zinc/11/48/22/1194114822.db2.gz GGKVISHDCOQDCG-AWEZNQCLSA-N 1 0 377.445 0.492 20 5 GCBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419845517 1194120240 /nfs/dbraw/zinc/12/02/40/1194120240.db2.gz PVCFZGJNYMVAGT-CYBMUJFWSA-N 1 0 376.413 0.833 20 5 GCBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419884921 1194132879 /nfs/dbraw/zinc/13/28/79/1194132879.db2.gz AJPLRPQHOFWMSM-CYBMUJFWSA-N 1 0 376.413 0.833 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000419899061 1194136504 /nfs/dbraw/zinc/13/65/04/1194136504.db2.gz QGWRRCMHXJPLOB-ZIAGYGMSSA-N 1 0 375.429 0.630 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[NH2+]C1 ZINC000419902013 1194137075 /nfs/dbraw/zinc/13/70/75/1194137075.db2.gz UDJMYMZDEJCSEP-CABCVRRESA-N 1 0 389.456 0.748 20 5 GCBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419941998 1194146378 /nfs/dbraw/zinc/14/63/78/1194146378.db2.gz YJKBQLQRWCGMJA-CQSZACIVSA-N 1 0 375.429 0.502 20 5 GCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000366499138 1194149021 /nfs/dbraw/zinc/14/90/21/1194149021.db2.gz BRBGESOXFCCFOO-DANNLKNASA-N 1 0 394.453 0.330 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000419990749 1194153351 /nfs/dbraw/zinc/15/33/51/1194153351.db2.gz KINPARYMLIWNMO-CYBMUJFWSA-N 1 0 393.444 0.496 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420052282 1194170407 /nfs/dbraw/zinc/17/04/07/1194170407.db2.gz FKVLDTURGPGJBF-SWLSCSKDSA-N 1 0 378.429 0.825 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000420122236 1194187663 /nfs/dbraw/zinc/18/76/63/1194187663.db2.gz LGNRRWQBRWHBDM-ZIAGYGMSSA-N 1 0 375.429 0.500 20 5 GCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000420178231 1194195464 /nfs/dbraw/zinc/19/54/64/1194195464.db2.gz ZYNWRQFOKDWSDK-LLVKDONJSA-N 1 0 397.457 0.055 20 5 GCBDRO COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420267535 1194218418 /nfs/dbraw/zinc/21/84/18/1194218418.db2.gz GWSSKUVFYNCFLA-AAEUAGOBSA-N 1 0 379.417 0.202 20 5 GCBDRO CC(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000420623300 1194249466 /nfs/dbraw/zinc/24/94/66/1194249466.db2.gz JTNXNLOBMONYBN-CYBMUJFWSA-N 1 0 399.473 0.150 20 5 GCBDRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000502025964 1194256820 /nfs/dbraw/zinc/25/68/20/1194256820.db2.gz GQQPIKOVPCJZFJ-RYUDHWBXSA-N 1 0 380.401 0.649 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000420979073 1194280527 /nfs/dbraw/zinc/28/05/27/1194280527.db2.gz YRWMPLJLOMWNBQ-HNNXBMFYSA-N 1 0 386.474 0.260 20 5 GCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000518815471 1194307484 /nfs/dbraw/zinc/30/74/84/1194307484.db2.gz ZIJFAYIVVPOOCO-UHFFFAOYSA-N 1 0 399.473 0.597 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413808009 1194343740 /nfs/dbraw/zinc/34/37/40/1194343740.db2.gz HMLBCYCGWIAPMN-AWEZNQCLSA-N 1 0 379.413 0.872 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000502721334 1194350489 /nfs/dbraw/zinc/35/04/89/1194350489.db2.gz IYOCBVUMLYMHKK-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413895244 1194356769 /nfs/dbraw/zinc/35/67/69/1194356769.db2.gz QJJXSPLOJPMEFQ-NSHDSACASA-N 1 0 383.376 0.848 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413893808 1194356874 /nfs/dbraw/zinc/35/68/74/1194356874.db2.gz BMAAAILVPHCTBU-STQMWFEESA-N 1 0 396.448 0.390 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000367077482 1194364037 /nfs/dbraw/zinc/36/40/37/1194364037.db2.gz JGUAJZMJECXGRO-AWEZNQCLSA-N 1 0 387.462 0.042 20 5 GCBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000421992329 1194376038 /nfs/dbraw/zinc/37/60/38/1194376038.db2.gz QQCNZBBOJMGWQK-MRXNPFEDSA-N 1 0 396.469 0.958 20 5 GCBDRO CC(C)[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000503504331 1194682137 /nfs/dbraw/zinc/68/21/37/1194682137.db2.gz VWTHLSAZZQIIRB-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422951199 1194712026 /nfs/dbraw/zinc/71/20/26/1194712026.db2.gz ZVQCHGLCRZHMPX-JKSUJKDBSA-N 1 0 384.458 0.230 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[C@H]1[NH3+] ZINC000422986634 1194713304 /nfs/dbraw/zinc/71/33/04/1194713304.db2.gz CYSYEYPRBOTZFO-ZIAGYGMSSA-N 1 0 375.429 0.439 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994354 1194713508 /nfs/dbraw/zinc/71/35/08/1194713508.db2.gz VDHDXXCLMSGBSV-GJZGRUSLSA-N 1 0 387.440 0.311 20 5 GCBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422994553 1194713823 /nfs/dbraw/zinc/71/38/23/1194713823.db2.gz VQDFBXOAKGGOHO-CQSZACIVSA-N 1 0 375.429 0.311 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[C@H]1[NH3+] ZINC000423147556 1194731076 /nfs/dbraw/zinc/73/10/76/1194731076.db2.gz CVOFVRHUBMXXBN-CZUORRHYSA-N 1 0 375.429 0.439 20 5 GCBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423158117 1194732689 /nfs/dbraw/zinc/73/26/89/1194732689.db2.gz WHCUZLSVDGQKSR-CQSZACIVSA-N 1 0 375.429 0.311 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC000423466966 1194758565 /nfs/dbraw/zinc/75/85/65/1194758565.db2.gz AXBKWTNYJACDOA-CYBMUJFWSA-N 1 0 391.428 0.202 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)C[C@H]21 ZINC000423564560 1194767239 /nfs/dbraw/zinc/76/72/39/1194767239.db2.gz ARKKJMUYBCTSHI-CSMYWGQOSA-N 1 0 388.424 0.770 20 5 GCBDRO O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423579641 1194770116 /nfs/dbraw/zinc/77/01/16/1194770116.db2.gz PBSMBCBXHBVSQN-UHFFFAOYSA-N 1 0 388.424 0.787 20 5 GCBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423580638 1194770533 /nfs/dbraw/zinc/77/05/33/1194770533.db2.gz SSWWDAYFDRETPS-CYBMUJFWSA-N 1 0 376.413 0.642 20 5 GCBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C[NH2+]1 ZINC000423629920 1194775407 /nfs/dbraw/zinc/77/54/07/1194775407.db2.gz KTWOQMGCIUKGNC-KBPBESRZSA-N 1 0 375.429 0.452 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423679976 1194785133 /nfs/dbraw/zinc/78/51/33/1194785133.db2.gz DUEWROIVHWMAAK-KBPBESRZSA-N 1 0 390.444 0.367 20 5 GCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423686814 1194785960 /nfs/dbraw/zinc/78/59/60/1194785960.db2.gz UKVWUQZAHPSTLF-LSDHHAIUSA-N 1 0 389.456 0.972 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000423714170 1194787750 /nfs/dbraw/zinc/78/77/50/1194787750.db2.gz FTTRCMHIKGCHHJ-CYBMUJFWSA-N 1 0 393.444 0.448 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@H]1C[NH3+] ZINC000423722961 1194788986 /nfs/dbraw/zinc/78/89/86/1194788986.db2.gz GDHAZUKDVLAFBU-PBHICJAKSA-N 1 0 389.456 0.829 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@H]1C[NH3+] ZINC000423722964 1194789167 /nfs/dbraw/zinc/78/91/67/1194789167.db2.gz GDHAZUKDVLAFBU-YOEHRIQHSA-N 1 0 389.456 0.829 20 5 GCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000423702490 1194790466 /nfs/dbraw/zinc/79/04/66/1194790466.db2.gz YPKOBPDJRVBSPN-OCCSQVGLSA-N 1 0 378.433 0.683 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@@H]1C[NH3+] ZINC000423737873 1194792705 /nfs/dbraw/zinc/79/27/05/1194792705.db2.gz QGGBXEZHMGEZSN-TZMCWYRMSA-N 1 0 378.433 0.541 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H]1C[NH3+] ZINC000423738410 1194792813 /nfs/dbraw/zinc/79/28/13/1194792813.db2.gz QMCLOXMIAXFWAA-YOEHRIQHSA-N 1 0 389.456 0.829 20 5 GCBDRO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000423966769 1194796449 /nfs/dbraw/zinc/79/64/49/1194796449.db2.gz ZHUKLMCVWRVFAV-AWEZNQCLSA-N 1 0 385.446 0.240 20 5 GCBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423991960 1194797198 /nfs/dbraw/zinc/79/71/98/1194797198.db2.gz NIDVPSYXYDULMX-LSDHHAIUSA-N 1 0 396.469 0.551 20 5 GCBDRO C[C@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424019150 1194799210 /nfs/dbraw/zinc/79/92/10/1194799210.db2.gz RDPWRYHSAMQBCJ-RYUDHWBXSA-N 1 0 399.473 0.488 20 5 GCBDRO C[C@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424019149 1194799236 /nfs/dbraw/zinc/79/92/36/1194799236.db2.gz RDPWRYHSAMQBCJ-NWDGAFQWSA-N 1 0 399.473 0.488 20 5 GCBDRO C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424026685 1194799653 /nfs/dbraw/zinc/79/96/53/1194799653.db2.gz XPIGYAKYAQLEQK-STQMWFEESA-N 1 0 384.458 0.659 20 5 GCBDRO CN(CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000425059350 1194836912 /nfs/dbraw/zinc/83/69/12/1194836912.db2.gz RJWMYZKLHNPSJD-XJKSGUPXSA-N 1 0 396.469 0.768 20 5 GCBDRO CC(C)c1[nH]nc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000434246053 1194837998 /nfs/dbraw/zinc/83/79/98/1194837998.db2.gz POKWMFQBZMYEPM-UHFFFAOYSA-N 1 0 392.420 0.568 20 5 GCBDRO COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000434674316 1194859741 /nfs/dbraw/zinc/85/97/41/1194859741.db2.gz HMYRMELMRAQILY-CYBMUJFWSA-N 1 0 393.444 0.636 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000505605692 1194890628 /nfs/dbraw/zinc/89/06/28/1194890628.db2.gz DVAPBPRBPRPVGM-UHFFFAOYSA-N 1 0 399.473 0.469 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435247927 1194905888 /nfs/dbraw/zinc/90/58/88/1194905888.db2.gz YNYMEMNIKGDLJN-AWEZNQCLSA-N 1 0 382.442 0.616 20 5 GCBDRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515235129 1194961357 /nfs/dbraw/zinc/96/13/57/1194961357.db2.gz SEFMGPXWIUZENK-LPHOPBHVSA-N 1 0 388.472 0.953 20 5 GCBDRO O=c1c2cnn(-c3ccncc3)c2ncn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000435883486 1194970087 /nfs/dbraw/zinc/97/00/87/1194970087.db2.gz LHJCYUAGLVYFHD-ZDUSSCGKSA-N 1 0 382.340 0.143 20 5 GCBDRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000515608574 1194986608 /nfs/dbraw/zinc/98/66/08/1194986608.db2.gz AZUIQIGULINOQL-UHFFFAOYSA-N 1 0 378.433 0.049 20 5 GCBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000516771682 1195093681 /nfs/dbraw/zinc/09/36/81/1195093681.db2.gz RJBYDNDMAVJQAH-WQGACYEGSA-N 1 0 384.458 0.766 20 5 GCBDRO Cn1cc(C[C@H](CO)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000516770831 1195093788 /nfs/dbraw/zinc/09/37/88/1195093788.db2.gz SVNUTCRGKXXZBK-AWEZNQCLSA-N 1 0 382.442 0.543 20 5 GCBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000516771681 1195093802 /nfs/dbraw/zinc/09/38/02/1195093802.db2.gz RJBYDNDMAVJQAH-HSMVNMDESA-N 1 0 384.458 0.766 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC([NH2+]CC2CC2)CC1 ZINC000517146594 1195142652 /nfs/dbraw/zinc/14/26/52/1195142652.db2.gz CWDJYHPTBODLNA-UHFFFAOYSA-N 1 0 396.469 0.864 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517722171 1195210383 /nfs/dbraw/zinc/21/03/83/1195210383.db2.gz QABQBKWUXLECCE-HIFRSBDPSA-N 1 0 390.444 0.272 20 5 GCBDRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000518077033 1195245735 /nfs/dbraw/zinc/24/57/35/1195245735.db2.gz JIPZUXDQXYILSU-LBPRGKRZSA-N 1 0 378.385 0.157 20 5 GCBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000426184580 1195255709 /nfs/dbraw/zinc/25/57/09/1195255709.db2.gz UDONQXGLGYROCP-CYBMUJFWSA-N 1 0 398.441 0.906 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518307135 1195277993 /nfs/dbraw/zinc/27/79/93/1195277993.db2.gz OZTNHCUDMHETFF-HNNXBMFYSA-N 1 0 379.417 0.613 20 5 GCBDRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000518511521 1195299035 /nfs/dbraw/zinc/29/90/35/1195299035.db2.gz KTEYBKAPZACJJN-INMHGKMJSA-N 1 0 379.461 0.582 20 5 GCBDRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000518511522 1195299183 /nfs/dbraw/zinc/29/91/83/1195299183.db2.gz KTEYBKAPZACJJN-UXLLHSPISA-N 1 0 379.461 0.582 20 5 GCBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520483 1195300437 /nfs/dbraw/zinc/30/04/37/1195300437.db2.gz PXYFLZPYILESKF-DZGCQCFKSA-N 1 0 382.442 0.913 20 5 GCBDRO [NH3+]CCCn1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nn1 ZINC000518526163 1195300912 /nfs/dbraw/zinc/30/09/12/1195300912.db2.gz KTBMEUVMZHMVJI-UHFFFAOYSA-N 1 0 393.429 0.195 20 5 GCBDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000439331791 1195309047 /nfs/dbraw/zinc/30/90/47/1195309047.db2.gz YOGZPIXIJAATPU-LBPRGKRZSA-N 1 0 391.432 0.807 20 5 GCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440360852 1195411559 /nfs/dbraw/zinc/41/15/59/1195411559.db2.gz ZPOZGIAFFIXKKO-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000550247297 1195469735 /nfs/dbraw/zinc/46/97/35/1195469735.db2.gz AWIILVOQHRTHBM-UHFFFAOYSA-N 1 0 382.417 0.291 20 5 GCBDRO O=C(NC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262060054 1195481752 /nfs/dbraw/zinc/48/17/52/1195481752.db2.gz NUHUYESKEMNGHF-BBRMVZONSA-N 1 0 396.469 0.864 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427337031 1195527276 /nfs/dbraw/zinc/52/72/76/1195527276.db2.gz FUGRKEYXMKWKJB-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000519655933 1195560568 /nfs/dbraw/zinc/56/05/68/1195560568.db2.gz QSDWCLSDHKMBOO-IUODEOHRSA-N 1 0 390.444 0.554 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000294022365 1195593740 /nfs/dbraw/zinc/59/37/40/1195593740.db2.gz KVZRPXJYHKYGJN-ZDUSSCGKSA-N 1 0 386.474 0.786 20 5 GCBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266793871 1195649607 /nfs/dbraw/zinc/64/96/07/1195649607.db2.gz WTGNDMRKGLFEOZ-ZIAGYGMSSA-N 1 0 382.442 0.907 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000473991589 1195772986 /nfs/dbraw/zinc/77/29/86/1195772986.db2.gz RVJLZUCATGRONF-CJNGLKHVSA-N 1 0 395.412 0.872 20 5 GCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000574684157 1195776583 /nfs/dbraw/zinc/77/65/83/1195776583.db2.gz ZMRRSVJFPAYUNQ-ZDUSSCGKSA-N 1 0 377.401 0.303 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520893062 1195933494 /nfs/dbraw/zinc/93/34/94/1195933494.db2.gz QMDBUZFSNZBBBG-ZDUSSCGKSA-N 1 0 396.469 0.864 20 5 GCBDRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000441996235 1195937412 /nfs/dbraw/zinc/93/74/12/1195937412.db2.gz CMBHNPVTIRUHNQ-CYBMUJFWSA-N 1 0 391.428 0.545 20 5 GCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000438889968 1195943221 /nfs/dbraw/zinc/94/32/21/1195943221.db2.gz YZDQEUVHTURSIL-QGZVFWFLSA-N 1 0 378.385 0.291 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000474375244 1196112237 /nfs/dbraw/zinc/11/22/37/1196112237.db2.gz RNJNLBLECWOWEO-UHFFFAOYSA-N 1 0 397.457 0.434 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000280863507 1196114921 /nfs/dbraw/zinc/11/49/21/1196114921.db2.gz DOIATDQUKDSEDH-STQMWFEESA-N 1 0 382.442 0.616 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000281191089 1196282752 /nfs/dbraw/zinc/28/27/52/1196282752.db2.gz KGZOAKKCRXLELX-NWDGAFQWSA-N 1 0 382.442 0.615 20 5 GCBDRO O=C(NCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000281239200 1196285518 /nfs/dbraw/zinc/28/55/18/1196285518.db2.gz FYSNVKAZNQMKSE-GFCCVEGCSA-N 1 0 379.339 0.543 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281498943 1196300556 /nfs/dbraw/zinc/30/05/56/1196300556.db2.gz ONZMMPWNUPPIPT-STQMWFEESA-N 1 0 394.428 0.389 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000281639490 1196317331 /nfs/dbraw/zinc/31/73/31/1196317331.db2.gz QOBDTTDKYBXENH-STQMWFEESA-N 1 0 394.428 0.247 20 5 GCBDRO C[N@@H+]1CCN(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281653659 1196317479 /nfs/dbraw/zinc/31/74/79/1196317479.db2.gz BTLNCJMWCVWYBW-UHFFFAOYSA-N 1 0 378.429 0.928 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000522829638 1196349425 /nfs/dbraw/zinc/34/94/25/1196349425.db2.gz OUTSPPDBTWCPSI-CYBMUJFWSA-N 1 0 391.428 0.545 20 5 GCBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444161812 1196355462 /nfs/dbraw/zinc/35/54/62/1196355462.db2.gz QGSOGZZMGCUHDJ-RDJZCZTQSA-N 1 0 394.453 0.427 20 5 GCBDRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000523070372 1196454281 /nfs/dbraw/zinc/45/42/81/1196454281.db2.gz WMFSDAUCPKFJEX-UHFFFAOYSA-N 1 0 377.445 0.986 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCn2ccnc2C1 ZINC000428360449 1196467428 /nfs/dbraw/zinc/46/74/28/1196467428.db2.gz BTRVHZDRRVPHIC-LBPRGKRZSA-N 1 0 393.425 0.591 20 5 GCBDRO CN(CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523121472 1196491154 /nfs/dbraw/zinc/49/11/54/1196491154.db2.gz ANCOUTWFJNLHKS-HZPDHXFCSA-N 1 0 396.469 0.958 20 5 GCBDRO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000523127853 1196492047 /nfs/dbraw/zinc/49/20/47/1196492047.db2.gz JOPCHAWEGLNPGV-GFCCVEGCSA-N 1 0 382.442 0.568 20 5 GCBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000428419282 1196593019 /nfs/dbraw/zinc/59/30/19/1196593019.db2.gz MGJUUQJSRHDBEW-CZUORRHYSA-N 1 0 396.469 0.958 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000429716500 1196693189 /nfs/dbraw/zinc/69/31/89/1196693189.db2.gz ALFCAPSGZQRZHW-LSDHHAIUSA-N 1 0 396.469 0.934 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000525618729 1196695559 /nfs/dbraw/zinc/69/55/59/1196695559.db2.gz CUXYRUKMUPUADN-UHFFFAOYSA-N 1 0 392.420 0.003 20 5 GCBDRO C[C@@H]1C[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000525617082 1196695565 /nfs/dbraw/zinc/69/55/65/1196695565.db2.gz TVKXZCFKHXZVIN-OLZOCXBDSA-N 1 0 384.458 0.862 20 5 GCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCNS(=O)(=O)Cc2ccon2)n1 ZINC000447587692 1196732136 /nfs/dbraw/zinc/73/21/36/1196732136.db2.gz RVLVUQCPKHKFEA-ZIAGYGMSSA-N 1 0 398.445 0.972 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000448685418 1196825473 /nfs/dbraw/zinc/82/54/73/1196825473.db2.gz XTANYUULSNQMLB-UHFFFAOYSA-N 1 0 396.469 0.525 20 5 GCBDRO [NH3+]CC[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000449713802 1196894486 /nfs/dbraw/zinc/89/44/86/1196894486.db2.gz APSODHPZMCDBJS-LLVKDONJSA-N 1 0 398.363 0.659 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000449715907 1196894730 /nfs/dbraw/zinc/89/47/30/1196894730.db2.gz FJPSQOBDDZRQFH-NSHDSACASA-N 1 0 398.363 0.659 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000449719524 1196895129 /nfs/dbraw/zinc/89/51/29/1196895129.db2.gz LIIJRXINOJRMIN-NSHDSACASA-N 1 0 376.291 0.716 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452345745 1197053147 /nfs/dbraw/zinc/05/31/47/1197053147.db2.gz FPOLTAVLRGTQET-CQSZACIVSA-N 1 0 394.428 0.296 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452802601 1197083074 /nfs/dbraw/zinc/08/30/74/1197083074.db2.gz VOLCIQYXYXEJCF-CZUORRHYSA-N 1 0 378.429 0.676 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452802603 1197083226 /nfs/dbraw/zinc/08/32/26/1197083226.db2.gz VOLCIQYXYXEJCF-XJKSGUPXSA-N 1 0 378.429 0.676 20 5 GCBDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000520312735 1197105111 /nfs/dbraw/zinc/10/51/11/1197105111.db2.gz PFYUEPITBFHPLI-ZDUSSCGKSA-N 1 0 382.442 0.379 20 5 GCBDRO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000520341254 1197109088 /nfs/dbraw/zinc/10/90/88/1197109088.db2.gz YZMAACQUFRUYEY-LBPRGKRZSA-N 1 0 384.458 0.955 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cn1 ZINC000610184493 1197151415 /nfs/dbraw/zinc/15/14/15/1197151415.db2.gz JFTRCIMAUTYHPG-UHFFFAOYSA-N 1 0 392.420 0.039 20 5 GCBDRO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000428517062 1197173156 /nfs/dbraw/zinc/17/31/56/1197173156.db2.gz OOXQVPVPGFPLBR-XJKSGUPXSA-N 1 0 396.469 0.945 20 5 GCBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429727574 1197331871 /nfs/dbraw/zinc/33/18/71/1197331871.db2.gz VJBWGISGYJMSMG-MELADBBJSA-N 1 0 387.458 0.785 20 5 GCBDRO O=C(CC1CC[NH2+]CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429735480 1197404104 /nfs/dbraw/zinc/40/41/04/1197404104.db2.gz DTFCSHWVKFNWAG-UHFFFAOYSA-N 1 0 396.469 0.817 20 5 GCBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429741709 1197404519 /nfs/dbraw/zinc/40/45/19/1197404519.db2.gz XFVLHGQYJMZVOB-OLZOCXBDSA-N 1 0 382.442 0.555 20 5 GCBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000429741711 1197404592 /nfs/dbraw/zinc/40/45/92/1197404592.db2.gz XFVLHGQYJMZVOB-STQMWFEESA-N 1 0 382.442 0.555 20 5 GCBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428595688 1197550179 /nfs/dbraw/zinc/55/01/79/1197550179.db2.gz OGVWQWXBLQVOEJ-GFCCVEGCSA-N 1 0 386.412 0.755 20 5 GCBDRO Nc1c(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000428613831 1197553952 /nfs/dbraw/zinc/55/39/52/1197553952.db2.gz DUQGIUFOLUIMKX-LLVKDONJSA-N 1 0 379.392 0.600 20 5 GCBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428623004 1197556455 /nfs/dbraw/zinc/55/64/55/1197556455.db2.gz RTSCBYHBURAAJZ-AWEZNQCLSA-N 1 0 376.413 0.644 20 5 GCBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000265719675 1198996147 /nfs/dbraw/zinc/99/61/47/1198996147.db2.gz YRAURDCKHPTGCP-LLVKDONJSA-N 1 0 378.385 0.905 20 5 GCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273521767 1199024134 /nfs/dbraw/zinc/02/41/34/1199024134.db2.gz WVPUELISBMDPBD-ZDUSSCGKSA-N 1 0 399.473 0.597 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c2)C1 ZINC000554858036 1199084578 /nfs/dbraw/zinc/08/45/78/1199084578.db2.gz VXRHRCVXJDDXEX-AWEZNQCLSA-N 1 0 386.412 0.945 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000419880595 1199349974 /nfs/dbraw/zinc/34/99/74/1199349974.db2.gz SOKAXHKKHGVVCK-ZIAGYGMSSA-N 1 0 375.429 0.630 20 5 GCBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000499629709 1199369964 /nfs/dbraw/zinc/36/99/64/1199369964.db2.gz DTQWIEBQZDJEFE-UHFFFAOYSA-N 1 0 396.469 0.960 20 5 GCBDRO COCCC[N@H+](C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525258050 1199390449 /nfs/dbraw/zinc/39/04/49/1199390449.db2.gz WRRTYQHIDIRZQQ-UHFFFAOYSA-N 1 0 380.449 0.790 20 5 GCBDRO CC[NH+]1CCN(CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136926 1199492210 /nfs/dbraw/zinc/49/22/10/1199492210.db2.gz XIUIFAIIZQBEOQ-UHFFFAOYSA-N 1 0 387.444 0.933 20 5 GCBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000555232182 1199828141 /nfs/dbraw/zinc/82/81/41/1199828141.db2.gz VHWVNLULROHDCR-UHFFFAOYSA-N 1 0 380.449 0.443 20 5 GCBDRO C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000428976186 1199866872 /nfs/dbraw/zinc/86/68/72/1199866872.db2.gz IPDATIQFWDMQTJ-STQMWFEESA-N 1 0 384.458 0.768 20 5 GCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428993658 1199876689 /nfs/dbraw/zinc/87/66/89/1199876689.db2.gz NYZHEEZAGLYYTO-CHWSQXEVSA-N 1 0 395.464 0.141 20 5 GCBDRO Cc1c(CC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000125295478 1199876889 /nfs/dbraw/zinc/87/68/89/1199876889.db2.gz AQMASTMAYVGGEU-UHFFFAOYSA-N 1 0 388.428 0.959 20 5 GCBDRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCOCC1 ZINC000543494503 1199963455 /nfs/dbraw/zinc/96/34/55/1199963455.db2.gz JZWJCBISKVBQNN-NSHDSACASA-N 1 0 394.384 0.522 20 5 GCBDRO C[C@H]1CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000429168642 1199997413 /nfs/dbraw/zinc/99/74/13/1199997413.db2.gz DLXPHSGQLKOWPC-XHDPSFHLSA-N 1 0 399.473 0.630 20 5 GCBDRO C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000429181158 1200054121 /nfs/dbraw/zinc/05/41/21/1200054121.db2.gz LNACRKOOXIKVHF-DOMZBBRYSA-N 1 0 384.458 0.801 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245865540 1200378277 /nfs/dbraw/zinc/37/82/77/1200378277.db2.gz LILXPVWGAYTHHW-RDJZCZTQSA-N 1 0 388.428 0.726 20 5 GCBDRO C[NH+]1CCC(n2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000373253910 1200673974 /nfs/dbraw/zinc/67/39/74/1200673974.db2.gz GELYMYWNGIEEDU-UHFFFAOYSA-N 1 0 386.412 1.427 20 5 GCBDRO CNc1nccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000571894856 1200740752 /nfs/dbraw/zinc/74/07/52/1200740752.db2.gz IMOOXJUNUYVHIN-IBGZPJMESA-N 1 0 385.424 1.398 20 5 GCBDRO COc1cc(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000282533935 1200761419 /nfs/dbraw/zinc/76/14/19/1200761419.db2.gz MOXNAQSZWYCIPH-UHFFFAOYSA-N 1 0 386.474 0.908 20 5 GCBDRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CC1 ZINC000282537580 1200859377 /nfs/dbraw/zinc/85/93/77/1200859377.db2.gz CPZYLSIXATVPOY-UHFFFAOYSA-N 1 0 381.408 0.735 20 5 GCBDRO CC[N@H+](CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000804224499 1201181825 /nfs/dbraw/zinc/18/18/25/1201181825.db2.gz RDDIRUJTSOMLDT-UHFFFAOYSA-N 1 0 389.456 0.844 20 5 GCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000611147067 1201219603 /nfs/dbraw/zinc/21/96/03/1201219603.db2.gz TYRVVQJPDGQXKB-KRWDZBQOSA-N 1 0 391.472 0.843 20 5 GCBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000731621064 1201490888 /nfs/dbraw/zinc/49/08/88/1201490888.db2.gz CNEKIDCIEKCIPP-KGLIPLIRSA-N 1 0 393.396 0.774 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000741609210 1201781484 /nfs/dbraw/zinc/78/14/84/1201781484.db2.gz JEJLOHRJWKKTIA-UHFFFAOYSA-N 1 0 378.364 0.861 20 5 GCBDRO 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 1201930665 /nfs/dbraw/zinc/93/06/65/1201930665.db2.gz WVFGPSNDXSGJQT-OXGONZEZSA-N 1 0 377.445 0.827 20 5 GCBDRO CNC(=O)[C@]12C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]1N(c1ncccn1)CCC2 ZINC001169019163 1201931080 /nfs/dbraw/zinc/93/10/80/1201931080.db2.gz FBSNVLCVUCWJQS-YYAJDYIMSA-N 1 0 388.472 0.939 20 5 GCBDRO 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 1201931329 /nfs/dbraw/zinc/93/13/29/1201931329.db2.gz KJSFLOSJOBOYQG-QRIFCXAISA-N 1 0 389.456 0.989 20 5 GCBDRO 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 1201931333 /nfs/dbraw/zinc/93/13/33/1201931333.db2.gz JAUCMGDSEWAJQB-ZZTPXLKCSA-N 1 0 377.445 0.827 20 5 GCBDRO 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 1201931404 /nfs/dbraw/zinc/93/14/04/1201931404.db2.gz KJSFLOSJOBOYQG-XEIOYGOASA-N 1 0 389.456 0.989 20 5 GCBDRO CCOC(=O)C1(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169492995 1201949564 /nfs/dbraw/zinc/94/95/64/1201949564.db2.gz WEVBKMAIJBCUSM-UHFFFAOYSA-N 1 0 394.432 0.661 20 5 GCBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCS(=O)(=O)C1 ZINC000769712457 1202069119 /nfs/dbraw/zinc/06/91/19/1202069119.db2.gz LEVRRKNGMYPZDG-ZDUSSCGKSA-N 1 0 384.458 0.758 20 5 GCBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)c([N+](=O)[O-])c1 ZINC001170341424 1205491091 /nfs/dbraw/zinc/49/10/91/1205491091.db2.gz ISBZLHCVCPOKSL-DJJJIMSYSA-N 1 0 390.440 0.957 20 5 GCBDRO COC(=O)C(C(=O)OC)c1ncc(N[C@H](C)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001170568810 1205618004 /nfs/dbraw/zinc/61/80/04/1205618004.db2.gz PMRSKLIYFGDKKH-BXKDBHETSA-N 1 0 382.373 0.208 20 5 GCBDRO CCO[C@H](CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C[NH+](C)C ZINC001133348670 1205665734 /nfs/dbraw/zinc/66/57/34/1205665734.db2.gz GAPWSASLMGNRNY-GFCCVEGCSA-N 1 0 378.385 0.274 20 5 GCBDRO CCO[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC001133348807 1205665774 /nfs/dbraw/zinc/66/57/74/1205665774.db2.gz LIEYWLKDEJUNNQ-CYBMUJFWSA-N 1 0 380.401 0.403 20 5 GCBDRO CC[N+](C)(C)Cc1ccccc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001170691262 1205670240 /nfs/dbraw/zinc/67/02/40/1205670240.db2.gz JOKXCYNWFWZBRJ-KRWDZBQOSA-O 1 0 388.492 0.929 20 5 GCBDRO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ncnn21 ZINC001171510936 1205708296 /nfs/dbraw/zinc/70/82/96/1205708296.db2.gz NIFRCRWTHLDSFU-LBPRGKRZSA-N 1 0 380.430 0.584 20 5 GCBDRO NC(=O)CN1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173014838 1205718307 /nfs/dbraw/zinc/71/83/07/1205718307.db2.gz CKSRWDCQIDHNTB-UHFFFAOYSA-N 1 0 383.399 0.945 20 5 GCBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)CC2)c(F)c1 ZINC001173009780 1205718312 /nfs/dbraw/zinc/71/83/12/1205718312.db2.gz BZLGFLKYIFFIJU-OZNWIZEOSA-N 1 0 387.383 0.534 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C2(CO)CCOCC2)CC1 ZINC001173691132 1205726314 /nfs/dbraw/zinc/72/63/14/1205726314.db2.gz JJKWPHDHSOGLPE-UHFFFAOYSA-N 1 0 399.469 0.879 20 5 GCBDRO CN1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O ZINC001173691997 1205726319 /nfs/dbraw/zinc/72/63/19/1205726319.db2.gz YTGGHEYSUZRZNL-CQSZACIVSA-N 1 0 396.469 0.958 20 5 GCBDRO COCC(COC)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693184 1205726398 /nfs/dbraw/zinc/72/63/98/1205726398.db2.gz FOALNNDELZMSMC-UHFFFAOYSA-N 1 0 387.458 0.999 20 5 GCBDRO O=C1NCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173692213 1205726420 /nfs/dbraw/zinc/72/64/20/1205726420.db2.gz GPCAOSGQMDCJRH-CYBMUJFWSA-N 1 0 382.442 0.616 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC001173691065 1205726438 /nfs/dbraw/zinc/72/64/38/1205726438.db2.gz HJBUBQFTFRKOLJ-AWEZNQCLSA-N 1 0 385.442 0.753 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001173695319 1205726689 /nfs/dbraw/zinc/72/66/89/1205726689.db2.gz CHJXBFXTFVYYIY-IUODEOHRSA-N 1 0 385.442 0.033 20 5 GCBDRO C[NH+]1CC2(CN(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)C2)C1 ZINC001173702666 1205726898 /nfs/dbraw/zinc/72/68/98/1205726898.db2.gz UZBFICJIMWKYAN-UHFFFAOYSA-N 1 0 380.470 0.995 20 5 GCBDRO C[NH+](C)CC[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001177532574 1205771196 /nfs/dbraw/zinc/77/11/96/1205771196.db2.gz PPBGTTHNMIFASV-ZDUSSCGKSA-N 1 0 384.458 0.673 20 5 GCBDRO O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179009095 1205799487 /nfs/dbraw/zinc/79/94/87/1205799487.db2.gz YKSXGNNNUHDMDJ-SNVBAGLBSA-N 1 0 396.350 0.623 20 5 GCBDRO COc1ccc(C(=O)NCC(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001179893144 1205815500 /nfs/dbraw/zinc/81/55/00/1205815500.db2.gz CKCMSTHGJWMHCI-CQSZACIVSA-N 1 0 376.413 0.791 20 5 GCBDRO O=Cc1ccc(OCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC001180054459 1205817361 /nfs/dbraw/zinc/81/73/61/1205817361.db2.gz NUJJDUBNTWRHNV-CABCVRRESA-N 1 0 377.397 0.844 20 5 GCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)N2CCOCC2)n1 ZINC000774240275 1205866057 /nfs/dbraw/zinc/86/60/57/1205866057.db2.gz WVQNTCXBWGGIHB-KBPBESRZSA-N 1 0 387.462 0.527 20 5 GCBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])CC2 ZINC001164684294 719710043 /nfs/dbraw/zinc/71/00/43/719710043.db2.gz OOWFNYNBDSKURG-UHFFFAOYSA-N 1 0 391.428 0.957 20 5 GCBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(=O)OC)CC[C@H]2C1 ZINC001164852537 720837604 /nfs/dbraw/zinc/83/76/04/720837604.db2.gz KKZHYSQBCXPKOH-XJKSGUPXSA-N 1 0 394.428 0.950 20 5 GCBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164848634 720846152 /nfs/dbraw/zinc/84/61/52/720846152.db2.gz APOUHMIIRXMMLR-CJNGLKHVSA-N 1 0 394.428 0.950 20 5 GCBDRO COc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1[N+](=O)[O-] ZINC001164794285 721510961 /nfs/dbraw/zinc/51/09/61/721510961.db2.gz MQMOXTHUTDOHMO-UHFFFAOYSA-N 1 0 387.444 0.963 20 5 GCBDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537110990 530193700 /nfs/dbraw/zinc/19/37/00/530193700.db2.gz CDEYXXMPJHPJSS-LLVKDONJSA-N 1 0 379.460 0.286 20 5 GCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CCN2C1=O ZINC000579732854 530194070 /nfs/dbraw/zinc/19/40/70/530194070.db2.gz DWEABQWQDHFTLC-KOLCDFICSA-N 1 0 383.202 0.741 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000263757151 530255913 /nfs/dbraw/zinc/25/59/13/530255913.db2.gz XYTPMTMRGNROOD-UHFFFAOYSA-N 1 0 390.849 0.643 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000582125187 530327135 /nfs/dbraw/zinc/32/71/35/530327135.db2.gz JIRGCAUGRZGLCY-JTQLQIEISA-N 1 0 382.364 0.877 20 5 GCBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000564319146 530350647 /nfs/dbraw/zinc/35/06/47/530350647.db2.gz DCQXLVYKSZBQEX-LBPRGKRZSA-N 1 0 388.833 0.999 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@@H](F)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000294924043 530672607 /nfs/dbraw/zinc/67/26/07/530672607.db2.gz GUDLSELGENCONI-TXEJJXNPSA-N 1 0 378.401 0.931 20 5 GCBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000440355908 530687403 /nfs/dbraw/zinc/68/74/03/530687403.db2.gz HKZUCWIJRRPMSJ-UHFFFAOYSA-N 1 0 376.822 0.301 20 5 GCBDRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1O ZINC000590585612 530689616 /nfs/dbraw/zinc/68/96/16/530689616.db2.gz GDJCWHJJQLTVDK-QWRGUYRKSA-N 1 0 394.247 0.653 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298850656 530847632 /nfs/dbraw/zinc/84/76/32/530847632.db2.gz LXYNVPZVWONBPQ-UHFFFAOYSA-N 1 0 390.849 0.643 20 5 GCBDRO [NH3+]C[C@@H](NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524297 530868028 /nfs/dbraw/zinc/86/80/28/530868028.db2.gz HYFBUUGZQNGXCI-SNVBAGLBSA-N 1 0 384.336 0.557 20 5 GCBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275051338 530906534 /nfs/dbraw/zinc/90/65/34/530906534.db2.gz HPGQFIJUCGXHKJ-UHFFFAOYSA-N 1 0 379.410 0.989 20 5 GCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000373484097 530893705 /nfs/dbraw/zinc/89/37/05/530893705.db2.gz MYEJWBCUKPRJCF-SECBINFHSA-N 1 0 380.220 0.706 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000271762491 530929631 /nfs/dbraw/zinc/92/96/31/530929631.db2.gz ZYDVUOZTLQSGPS-LLVKDONJSA-N 1 0 377.444 0.040 20 5 GCBDRO O=C(NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000602551973 530934171 /nfs/dbraw/zinc/93/41/71/530934171.db2.gz QBVYNYPTTZLXTD-QMMMGPOBSA-N 1 0 391.165 0.918 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]([NH3+])CC(F)F)c([N+](=O)[O-])c1 ZINC000498194567 530940900 /nfs/dbraw/zinc/94/09/00/530940900.db2.gz DTEMXXSQDYCRLT-VIFPVBQESA-N 1 0 380.373 0.509 20 5 GCBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736859959 598427669 /nfs/dbraw/zinc/42/76/69/598427669.db2.gz KQLVWYXPBSBBPN-ZDUSSCGKSA-N 1 0 387.448 0.776 20 5 GCBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000738366078 598597500 /nfs/dbraw/zinc/59/75/00/598597500.db2.gz BJTNQISORQRQMO-NSHDSACASA-N 1 0 385.388 0.682 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823651919 599568439 /nfs/dbraw/zinc/56/84/39/599568439.db2.gz RLVRIPVBCSKFMZ-MRXNPFEDSA-N 1 0 384.400 0.997 20 5 GCBDRO COC(=O)C1CC[NH+](CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821655155 606697947 /nfs/dbraw/zinc/69/79/47/606697947.db2.gz GJWBBQHDVLPCPQ-UHFFFAOYSA-N 1 0 390.404 0.857 20 5 GCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@]1(N2CCOCC2)CCSC1 ZINC000823619973 606701918 /nfs/dbraw/zinc/70/19/18/606701918.db2.gz DNZCUEQPLOZWLO-HNNXBMFYSA-N 1 0 392.445 0.790 20 5 GCBDRO CC[NH+](CC)CC(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821181604 606708248 /nfs/dbraw/zinc/70/82/48/606708248.db2.gz NFYMBDJQQMIFBB-UHFFFAOYSA-N 1 0 389.420 0.160 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826390424 607838312 /nfs/dbraw/zinc/83/83/12/607838312.db2.gz ZHLOYFFZGBTRBG-OAHLLOKOSA-N 1 0 386.416 0.693 20 5 GCBDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000825866489 608218930 /nfs/dbraw/zinc/21/89/30/608218930.db2.gz YWLKRCBDXIWLDC-UHFFFAOYSA-N 1 0 385.388 0.702 20 5 GCBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000236616149 638593332 /nfs/dbraw/zinc/59/33/32/638593332.db2.gz COCLJTPDQACIFD-UHFFFAOYSA-N 1 0 393.263 0.541 20 5 GCBDRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234402 638720033 /nfs/dbraw/zinc/72/00/33/638720033.db2.gz PESJGZXPMSTDCE-QMMMGPOBSA-N 1 0 394.169 0.983 20 5 GCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC[S@@](C)=O)c([N+](=O)[O-])c1 ZINC000735075357 640010488 /nfs/dbraw/zinc/01/04/88/640010488.db2.gz SRODIRSIMOZKMI-HSZRJFAPSA-N 1 0 378.476 0.225 20 5 GCBDRO CC[S@](=O)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000735075465 640010623 /nfs/dbraw/zinc/01/06/23/640010623.db2.gz IULSJYBJLJRGNA-DEOSSOPVSA-N 1 0 392.503 0.615 20 5 GCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000762554371 640609319 /nfs/dbraw/zinc/60/93/19/640609319.db2.gz GOQWSCYOUPZQQF-LBPRGKRZSA-N 1 0 394.247 0.702 20 5 GCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000716749330 641628833 /nfs/dbraw/zinc/62/88/33/641628833.db2.gz HIAVGRVMICHPAJ-QMMMGPOBSA-N 1 0 393.181 0.852 20 5 GCBDRO C[NH2+]CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841163206 642291378 /nfs/dbraw/zinc/29/13/78/642291378.db2.gz BOYUOBSVHSTSPO-UHFFFAOYSA-N 1 0 392.153 0.474 20 5 GCBDRO [NH3+]CCN(CCO)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233738 642292484 /nfs/dbraw/zinc/29/24/84/642292484.db2.gz FUXAAPOEZWYOLK-UHFFFAOYSA-N 1 0 394.169 0.984 20 5 GCBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000842694880 642344057 /nfs/dbraw/zinc/34/40/57/642344057.db2.gz ZTQJBJDDHQUUTJ-UHFFFAOYSA-N 1 0 376.822 0.267 20 5 GCBDRO CN1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000844226189 642398234 /nfs/dbraw/zinc/39/82/34/642398234.db2.gz FAGCHGXFPVHLRU-SECBINFHSA-N 1 0 393.263 0.621 20 5 GCBDRO C[NH2+]CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000858625967 642963091 /nfs/dbraw/zinc/96/30/91/642963091.db2.gz IHTKHYFYUCSUJR-UHFFFAOYSA-N 1 0 376.391 0.634 20 5 GCBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000585725635 1192399230 /nfs/dbraw/zinc/39/92/30/1192399230.db2.gz ZFPFEXNALANLAU-VXGBXAGGSA-N 1 0 386.412 0.830 20 5 GCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CCN2C1=O ZINC000570060976 1192404347 /nfs/dbraw/zinc/40/43/47/1192404347.db2.gz ZROPISYHDPVWHT-LSDHHAIUSA-N 1 0 387.440 0.582 20 5 GCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000512077534 1192428075 /nfs/dbraw/zinc/42/80/75/1192428075.db2.gz PJPSFVTYSVRUHB-UHFFFAOYSA-N 1 0 387.444 0.510 20 5 GCBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+]1CCN(C)CC1 ZINC000265124067 1192471556 /nfs/dbraw/zinc/47/15/56/1192471556.db2.gz OQMUGQIYJABCLX-ZDUSSCGKSA-N 1 0 378.429 0.979 20 5 GCBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+]1CCN(C)CC1 ZINC000265124064 1192471706 /nfs/dbraw/zinc/47/17/06/1192471706.db2.gz OQMUGQIYJABCLX-CYBMUJFWSA-N 1 0 378.429 0.979 20 5 GCBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000279145338 1192473650 /nfs/dbraw/zinc/47/36/50/1192473650.db2.gz YALPPJACZNDMAB-KRWDZBQOSA-N 1 0 375.385 0.906 20 5 GCBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000418706096 1192634580 /nfs/dbraw/zinc/63/45/80/1192634580.db2.gz FBZSBBJHLHWPPE-GFCCVEGCSA-N 1 0 399.473 0.567 20 5 GCBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418821117 1192654159 /nfs/dbraw/zinc/65/41/59/1192654159.db2.gz WRMVYQQOOCPVFE-ZDUSSCGKSA-N 1 0 384.820 0.402 20 5 GCBDRO COc1ccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000418933664 1192693729 /nfs/dbraw/zinc/69/37/29/1192693729.db2.gz ISVCPGNBIYHDHK-PWSUYJOCSA-N 1 0 380.401 0.449 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000418954158 1192701289 /nfs/dbraw/zinc/70/12/89/1192701289.db2.gz XFEMYTLJJRVNQY-ZWNOBZJWSA-N 1 0 380.401 0.449 20 5 GCBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000291972862 1192720697 /nfs/dbraw/zinc/72/06/97/1192720697.db2.gz XWMIPORJPPTDHW-AWEZNQCLSA-N 1 0 396.469 0.960 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000419019187 1192724198 /nfs/dbraw/zinc/72/41/98/1192724198.db2.gz IUGVLUWVZGKBBW-LBPRGKRZSA-N 1 0 380.401 0.139 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000419022745 1192724989 /nfs/dbraw/zinc/72/49/89/1192724989.db2.gz LQIXWUGBJKMJMY-RYUDHWBXSA-N 1 0 394.428 0.480 20 5 GCBDRO COc1cc(CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000419027768 1192729354 /nfs/dbraw/zinc/72/93/54/1192729354.db2.gz QFYUTJABHCMBNY-LBPRGKRZSA-N 1 0 382.417 0.370 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419150596 1192810657 /nfs/dbraw/zinc/81/06/57/1192810657.db2.gz MNXLBXDBFHLTGR-OLZOCXBDSA-N 1 0 391.428 0.086 20 5 GCBDRO C[N@@H+]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000549729334 1192862867 /nfs/dbraw/zinc/86/28/67/1192862867.db2.gz WFGNVCLYAPFXGT-UHFFFAOYSA-N 1 0 399.473 0.597 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000473350029 1192875031 /nfs/dbraw/zinc/87/50/31/1192875031.db2.gz CVRNIEDGIRBDGK-UHFFFAOYSA-N 1 0 394.428 0.893 20 5 GCBDRO Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000573578892 1192907425 /nfs/dbraw/zinc/90/74/25/1192907425.db2.gz YCJNFRUYUXDCQW-QWHCGFSZSA-N 1 0 384.396 0.308 20 5 GCBDRO O=C(Cc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573598610 1192908295 /nfs/dbraw/zinc/90/82/95/1192908295.db2.gz AKNCHTBZKKQTLK-FUHWJXTLSA-N 1 0 387.440 0.976 20 5 GCBDRO CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274760439 1184279029 /nfs/dbraw/zinc/27/90/29/1184279029.db2.gz HYXCKODRQQRQGN-HUUCEWRRSA-N 1 0 396.469 0.632 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000579835579 1184309048 /nfs/dbraw/zinc/30/90/48/1184309048.db2.gz GUMYWLSIPBEFIJ-VNQPRFMTSA-N 1 0 375.429 0.980 20 5 GCBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000274814110 1184391664 /nfs/dbraw/zinc/39/16/64/1184391664.db2.gz RGLFHLDBYAJARL-HOCLYGCPSA-N 1 0 376.413 0.694 20 5 GCBDRO C[NH+](C)CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000275167837 1184539148 /nfs/dbraw/zinc/53/91/48/1184539148.db2.gz VVGMTUCWEPTCSK-GFCCVEGCSA-N 1 0 386.430 0.276 20 5 GCBDRO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1(O)CCOCC1 ZINC000275537573 1184702612 /nfs/dbraw/zinc/70/26/12/1184702612.db2.gz LFTLRBFRKTXDSM-UHFFFAOYSA-N 1 0 392.456 0.717 20 5 GCBDRO NC(=O)c1cccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000608982495 1184808923 /nfs/dbraw/zinc/80/89/23/1184808923.db2.gz OFPCGRNQIVBDQH-UHFFFAOYSA-N 1 0 378.410 0.762 20 5 GCBDRO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610367361 1185029106 /nfs/dbraw/zinc/02/91/06/1185029106.db2.gz CRVUUFXBAOEGIR-LBPRGKRZSA-N 1 0 379.339 0.543 20 5 GCBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000275772187 1185044480 /nfs/dbraw/zinc/04/44/80/1185044480.db2.gz FQPXAALZSWQCII-UHFFFAOYSA-N 1 0 384.820 0.817 20 5 GCBDRO 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CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000277228592 1186299244 /nfs/dbraw/zinc/29/92/44/1186299244.db2.gz YNOZUBVSPHLZKX-LBPRGKRZSA-N 1 0 387.462 0.734 20 5 GCBDRO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000262479717 1186300261 /nfs/dbraw/zinc/30/02/61/1186300261.db2.gz RXXBQJMLRJNCIV-UHFFFAOYSA-N 1 0 388.446 0.469 20 5 GCBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263033165 1186339941 /nfs/dbraw/zinc/33/99/41/1186339941.db2.gz SBAKWGRZJYVXPM-GDBMZVCRSA-N 1 0 384.458 0.897 20 5 GCBDRO CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cnc([N+](=O)[O-])cn1 ZINC001167532875 1186373002 /nfs/dbraw/zinc/37/30/02/1186373002.db2.gz DMYRQLIQFPVXRC-UHFFFAOYSA-N 1 0 390.425 0.879 20 5 GCBDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000263726295 1186468129 /nfs/dbraw/zinc/46/81/29/1186468129.db2.gz PFXYZVRPZJPLQZ-AWEZNQCLSA-N 1 0 396.469 0.770 20 5 GCBDRO 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CN(Cc1ccnn1C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000480580712 1187150376 /nfs/dbraw/zinc/15/03/76/1187150376.db2.gz NIUOTHRLFHKSBJ-UHFFFAOYSA-N 1 0 396.473 0.805 20 5 GCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188262769 1187270701 /nfs/dbraw/zinc/27/07/01/1187270701.db2.gz GVNRAVIVUUPJQC-RBUKOAKNSA-N 1 0 389.456 0.721 20 5 GCBDRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000375813312 1187434560 /nfs/dbraw/zinc/43/45/60/1187434560.db2.gz ZEZLUYDEZCRUMN-YCPHGPKFSA-N 1 0 397.432 0.522 20 5 GCBDRO CNC(=O)c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000364719298 1187458283 /nfs/dbraw/zinc/45/82/83/1187458283.db2.gz ADHVYRSASOQGQV-UHFFFAOYSA-N 1 0 378.429 0.618 20 5 GCBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000411241151 1187471920 /nfs/dbraw/zinc/47/19/20/1187471920.db2.gz BRCSUWIFMOJLPO-AWEZNQCLSA-N 1 0 391.428 0.606 20 5 GCBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364944194 1187473999 /nfs/dbraw/zinc/47/39/99/1187473999.db2.gz PLZYPZXUMJRKPM-UHFFFAOYSA-N 1 0 393.396 0.623 20 5 GCBDRO O=C(COC1CC[NH2+]CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000563061533 1187512295 /nfs/dbraw/zinc/51/22/95/1187512295.db2.gz LMTARKZOONCUAR-UHFFFAOYSA-N 1 0 382.442 0.709 20 5 GCBDRO C[C@@H]1C[C@@H](O)CN1c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000472442633 1187527267 /nfs/dbraw/zinc/52/72/67/1187527267.db2.gz BRGXACQOXGFHQG-CHWSQXEVSA-N 1 0 386.474 0.784 20 5 GCBDRO CC(C)(C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000236696677 1187530285 /nfs/dbraw/zinc/53/02/85/1187530285.db2.gz HHMSPVOIIMTOOU-DZGCQCFKSA-N 1 0 392.460 0.633 20 5 GCBDRO CC(C)(C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000236696957 1187530345 /nfs/dbraw/zinc/53/03/45/1187530345.db2.gz HHMSPVOIIMTOOU-HIFRSBDPSA-N 1 0 392.460 0.633 20 5 GCBDRO COC(=O)[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+](C)C1 ZINC000411925152 1187532543 /nfs/dbraw/zinc/53/25/43/1187532543.db2.gz ZAUGAACPAWOGOH-XJKSGUPXSA-N 1 0 376.413 0.737 20 5 GCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(=O)NCC[NH+](C)C ZINC000581736214 1187718218 /nfs/dbraw/zinc/71/82/18/1187718218.db2.gz OSXSTWIFGUCKOQ-NSHDSACASA-N 1 0 384.458 0.475 20 5 GCBDRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581998168 1187730557 /nfs/dbraw/zinc/73/05/57/1187730557.db2.gz YGCXOEZPXYXKHG-HNNXBMFYSA-N 1 0 387.458 0.596 20 5 GCBDRO NS(=O)(=O)c1cccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000582013722 1187730655 /nfs/dbraw/zinc/73/06/55/1187730655.db2.gz UVHDJABJSXHRJJ-ZDUSSCGKSA-N 1 0 384.458 0.933 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000582293869 1187735731 /nfs/dbraw/zinc/73/57/31/1187735731.db2.gz YVEQZFLJKIMOKU-CQSZACIVSA-N 1 0 378.433 0.301 20 5 GCBDRO C[C@H]1CN(c2ccc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cn2)CCO1 ZINC000582481251 1187736859 /nfs/dbraw/zinc/73/68/59/1187736859.db2.gz LDPAYQNRWPWVKM-XJKSGUPXSA-N 1 0 376.417 0.562 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000582601265 1187756017 /nfs/dbraw/zinc/75/60/17/1187756017.db2.gz ZFDJUYYFTHKHMM-NEPJUHHUSA-N 1 0 381.458 0.281 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000616089444 1187841209 /nfs/dbraw/zinc/84/12/09/1187841209.db2.gz BRCVFFJUGQOYFC-UHFFFAOYSA-N 1 0 380.401 0.010 20 5 GCBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000376450014 1187847164 /nfs/dbraw/zinc/84/71/64/1187847164.db2.gz RCIIAUDFQVXPOM-YPMHNXCESA-N 1 0 382.442 0.941 20 5 GCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCN([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000376722624 1188023431 /nfs/dbraw/zinc/02/34/31/1188023431.db2.gz KIGNYTXNGUWMKD-LBPRGKRZSA-N 1 0 398.441 0.034 20 5 GCBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCN([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000376722623 1188023518 /nfs/dbraw/zinc/02/35/18/1188023518.db2.gz KIGNYTXNGUWMKD-GFCCVEGCSA-N 1 0 398.441 0.034 20 5 GCBDRO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000415296118 1188024541 /nfs/dbraw/zinc/02/45/41/1188024541.db2.gz MOZWXOPBXUFZKD-UHFFFAOYSA-N 1 0 398.423 0.997 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415369933 1188063149 /nfs/dbraw/zinc/06/31/49/1188063149.db2.gz MZLHFYJVTLHPGB-SNVBAGLBSA-N 1 0 397.819 0.500 20 5 GCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415372098 1188065241 /nfs/dbraw/zinc/06/52/41/1188065241.db2.gz QRGYJWFWPJBJRW-ZDUSSCGKSA-N 1 0 391.428 0.409 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC[C@H]1[NH3+] ZINC000415439943 1188081569 /nfs/dbraw/zinc/08/15/69/1188081569.db2.gz DTUOXMSUSLXIMB-GHMZBOCLSA-N 1 0 378.385 0.890 20 5 GCBDRO NC(=O)C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000377609336 1188087735 /nfs/dbraw/zinc/08/77/35/1188087735.db2.gz YPFVPNWVKSVKIS-AWEZNQCLSA-N 1 0 375.429 0.441 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000415515712 1188096460 /nfs/dbraw/zinc/09/64/60/1188096460.db2.gz DPEGJMQWYMUKNZ-KOLCDFICSA-N 1 0 378.385 0.824 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)[C@H](C)C[NH2+]1 ZINC000415554121 1188105647 /nfs/dbraw/zinc/10/56/47/1188105647.db2.gz AAQJLUOVGNLMMJ-GHMZBOCLSA-N 1 0 378.385 0.903 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415582521 1188112799 /nfs/dbraw/zinc/11/27/99/1188112799.db2.gz UNDVKPASRJWJDS-MNOVXSKESA-N 1 0 378.385 0.824 20 5 GCBDRO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000415820875 1189370870 /nfs/dbraw/zinc/37/08/70/1189370870.db2.gz DBQRLSNBVLAYGF-UHFFFAOYSA-N 1 0 378.385 0.839 20 5 GCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415848877 1189383699 /nfs/dbraw/zinc/38/36/99/1189383699.db2.gz DZRFKVJSHRDYGE-CYBMUJFWSA-N 1 0 377.445 0.851 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC000290464879 1189410204 /nfs/dbraw/zinc/41/02/04/1189410204.db2.gz KUPNQFJZQOWNBY-UHFFFAOYSA-N 1 0 382.442 0.618 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000104069814 1189442196 /nfs/dbraw/zinc/44/21/96/1189442196.db2.gz KQVMBTQXHACPJD-MRXNPFEDSA-N 1 0 375.429 0.947 20 5 GCBDRO CS(=O)(=O)c1ccc(NCCNC(=O)CC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000378209871 1189443890 /nfs/dbraw/zinc/44/38/90/1189443890.db2.gz VCAVLNNJOLKBSC-UHFFFAOYSA-N 1 0 384.458 0.916 20 5 GCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378319359 1189473878 /nfs/dbraw/zinc/47/38/78/1189473878.db2.gz RLJZETJJTIVBLM-ZBFHGGJFSA-N 1 0 378.477 0.974 20 5 GCBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000290724397 1189535135 /nfs/dbraw/zinc/53/51/35/1189535135.db2.gz VWLZCQDRTQGEAW-UHFFFAOYSA-N 1 0 389.412 0.798 20 5 GCBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584581076 1189580081 /nfs/dbraw/zinc/58/00/81/1189580081.db2.gz MMUVLAGAPHSIJZ-CYBMUJFWSA-N 1 0 378.433 0.272 20 5 GCBDRO COc1cc(CCNC(=O)NCCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000416921742 1189592966 /nfs/dbraw/zinc/59/29/66/1189592966.db2.gz OOWDQHXKVLOPKR-UHFFFAOYSA-N 1 0 381.433 0.359 20 5 GCBDRO CNc1nc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000412467571 1189627979 /nfs/dbraw/zinc/62/79/79/1189627979.db2.gz UPMFZVUAFOHCFC-UHFFFAOYSA-N 1 0 392.460 0.558 20 5 GCBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417266057 1189638564 /nfs/dbraw/zinc/63/85/64/1189638564.db2.gz BPIMJARDKFXIJG-NEPJUHHUSA-N 1 0 385.446 0.252 20 5 GCBDRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000417264845 1189638815 /nfs/dbraw/zinc/63/88/15/1189638815.db2.gz AHHMRAKWSNOQIF-HNNXBMFYSA-N 1 0 399.473 0.690 20 5 GCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289321 1189640523 /nfs/dbraw/zinc/64/05/23/1189640523.db2.gz ZVTBVNHOOXABDQ-VXGBXAGGSA-N 1 0 385.446 0.252 20 5 GCBDRO C[C@H]1[NH2+]CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000417289325 1189640753 /nfs/dbraw/zinc/64/07/53/1189640753.db2.gz ZVZZYQFVYBPPIF-VXGBXAGGSA-N 1 0 385.446 0.265 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417288198 1189640902 /nfs/dbraw/zinc/64/09/02/1189640902.db2.gz XZEPLRGGYTWFSR-WFASDCNBSA-N 1 0 397.457 0.267 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417301921 1189641725 /nfs/dbraw/zinc/64/17/25/1189641725.db2.gz AVDIQLUNRRYCNB-OLZOCXBDSA-N 1 0 397.457 0.124 20 5 GCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417319077 1189646605 /nfs/dbraw/zinc/64/66/05/1189646605.db2.gz HCGILRDMMSOJEB-NWDGAFQWSA-N 1 0 385.446 0.442 20 5 GCBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000417336321 1189649480 /nfs/dbraw/zinc/64/94/80/1189649480.db2.gz HOAXSZIRFVMNJN-RYUDHWBXSA-N 1 0 385.446 0.265 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]C1 ZINC000417343377 1189651221 /nfs/dbraw/zinc/65/12/21/1189651221.db2.gz QMUIVSPUSJANQD-LBPRGKRZSA-N 1 0 385.446 0.172 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000584834179 1189684298 /nfs/dbraw/zinc/68/42/98/1189684298.db2.gz CMVGXNYXJYODJR-QZTJIDSGSA-N 1 0 393.419 0.954 20 5 GCBDRO [NH3+]CC[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584839978 1189686639 /nfs/dbraw/zinc/68/66/39/1189686639.db2.gz MBMMDXBWNFABNX-CYBMUJFWSA-N 1 0 384.458 0.993 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000417679601 1189694417 /nfs/dbraw/zinc/69/44/17/1189694417.db2.gz LVECIFQVWQPAHI-OLZOCXBDSA-N 1 0 399.473 0.642 20 5 GCBDRO CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417679645 1189694781 /nfs/dbraw/zinc/69/47/81/1189694781.db2.gz MDHPVBAHBHYGGM-UHFFFAOYSA-N 1 0 385.446 0.267 20 5 GCBDRO C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000417679600 1189694795 /nfs/dbraw/zinc/69/47/95/1189694795.db2.gz LVECIFQVWQPAHI-CHWSQXEVSA-N 1 0 399.473 0.642 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC1=CC[NH2+]CC1 ZINC000417669927 1189694802 /nfs/dbraw/zinc/69/48/02/1189694802.db2.gz AGEPXIWPWLXVTA-UHFFFAOYSA-N 1 0 397.457 0.482 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417682546 1189695961 /nfs/dbraw/zinc/69/59/61/1189695961.db2.gz SPDZIIPMZUDBGZ-RYUDHWBXSA-N 1 0 385.446 0.313 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417677647 1189696316 /nfs/dbraw/zinc/69/63/16/1189696316.db2.gz HZWBLRAERYIBIX-CYBMUJFWSA-N 1 0 399.473 0.644 20 5 GCBDRO [NH3+]CC1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000417689269 1189696936 /nfs/dbraw/zinc/69/69/36/1189696936.db2.gz FYAQAVVCQLBRHN-UHFFFAOYSA-N 1 0 385.446 0.253 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417681575 1189697319 /nfs/dbraw/zinc/69/73/19/1189697319.db2.gz QGAPWLPEZWPHJQ-NEPJUHHUSA-N 1 0 385.446 0.442 20 5 GCBDRO CC1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000417701613 1189698227 /nfs/dbraw/zinc/69/82/27/1189698227.db2.gz NQUZWGBCQYPDDD-UHFFFAOYSA-N 1 0 399.473 0.562 20 5 GCBDRO CN(CC(C)(C)C[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417703123 1189698413 /nfs/dbraw/zinc/69/84/13/1189698413.db2.gz QPRGAGRZRCLKJH-UHFFFAOYSA-N 1 0 387.462 0.499 20 5 GCBDRO O=C(NCCCN1CC[NH2+]CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418283918 1189748361 /nfs/dbraw/zinc/74/83/61/1189748361.db2.gz AVSJJHHKYIGRNS-UHFFFAOYSA-N 1 0 377.449 0.117 20 5 GCBDRO CC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418328564 1189760736 /nfs/dbraw/zinc/76/07/36/1189760736.db2.gz SPNCJOIPKVYUDC-UHFFFAOYSA-N 1 0 385.446 0.220 20 5 GCBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418477449 1189797093 /nfs/dbraw/zinc/79/70/93/1189797093.db2.gz UYWVVKPFDOWHAS-GFCCVEGCSA-N 1 0 385.446 0.206 20 5 GCBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000106921067 1189945403 /nfs/dbraw/zinc/94/54/03/1189945403.db2.gz SHKUBHKJIVSCJL-KRWDZBQOSA-N 1 0 389.456 0.563 20 5 GCBDRO CN1CC[NH+](CCCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067136932 1193730594 /nfs/dbraw/zinc/73/05/94/1193730594.db2.gz PQUJSKBJDOLMTQ-UHFFFAOYSA-N 1 0 387.444 0.933 20 5 GCBDRO CO[C@@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000419348406 1193844170 /nfs/dbraw/zinc/84/41/70/1193844170.db2.gz LGYHKTBGMWZUNX-IAGOWNOFSA-N 1 0 392.456 0.998 20 5 GCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419353032 1193851686 /nfs/dbraw/zinc/85/16/86/1193851686.db2.gz JESYXJPUARQFDG-HNNXBMFYSA-N 1 0 392.412 0.985 20 5 GCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000419357577 1193858781 /nfs/dbraw/zinc/85/87/81/1193858781.db2.gz UKVZNZYKLOICSA-RAIGVLPGSA-N 1 0 386.412 0.673 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000419357578 1193859168 /nfs/dbraw/zinc/85/91/68/1193859168.db2.gz UKVZNZYKLOICSA-WCFLWFBJSA-N 1 0 386.412 0.673 20 5 GCBDRO COCC1(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261815972 1193927443 /nfs/dbraw/zinc/92/74/43/1193927443.db2.gz XJUZOFRPWMWJIY-ZDUSSCGKSA-N 1 0 378.429 0.846 20 5 GCBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)(C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262211362 1193941908 /nfs/dbraw/zinc/94/19/08/1193941908.db2.gz KZHIXSFALJIGIL-UHFFFAOYSA-N 1 0 386.430 0.174 20 5 GCBDRO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262413498 1193947432 /nfs/dbraw/zinc/94/74/32/1193947432.db2.gz YHAIIRFEZCCLQL-TUKIKUTGSA-N 1 0 382.442 0.411 20 5 GCBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000433799686 1193949253 /nfs/dbraw/zinc/94/92/53/1193949253.db2.gz SDZITXYCHQOMNU-UHFFFAOYSA-N 1 0 393.492 0.991 20 5 GCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513502453 1193957974 /nfs/dbraw/zinc/95/79/74/1193957974.db2.gz ZVVCLZSRCHARSO-CYBMUJFWSA-N 1 0 398.485 0.754 20 5 GCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280707763 1194015350 /nfs/dbraw/zinc/01/53/50/1194015350.db2.gz FXXVODRMZKRJOD-CYBMUJFWSA-N 1 0 384.458 0.673 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000419457244 1194033738 /nfs/dbraw/zinc/03/37/38/1194033738.db2.gz VNIORKKUPYJGIG-HUUCEWRRSA-N 1 0 389.456 0.889 20 5 GCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419457778 1194034098 /nfs/dbraw/zinc/03/40/98/1194034098.db2.gz AFXRGWMNABRHIR-UKRRQHHQSA-N 1 0 378.433 0.288 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419453036 1194038085 /nfs/dbraw/zinc/03/80/85/1194038085.db2.gz IDKHYFPMVTXLHO-KBPBESRZSA-N 1 0 377.445 0.936 20 5 GCBDRO Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419453038 1194038221 /nfs/dbraw/zinc/03/82/21/1194038221.db2.gz IDKHYFPMVTXLHO-UONOGXRCSA-N 1 0 377.445 0.936 20 5 GCBDRO O=C(NCC[NH+]1CCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000501063148 1194046360 /nfs/dbraw/zinc/04/63/60/1194046360.db2.gz GGBDZDOHUZKEED-HNNXBMFYSA-N 1 0 382.442 0.570 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413157260 1194085923 /nfs/dbraw/zinc/08/59/23/1194085923.db2.gz PUHQGBBCDPOXCZ-ZDUSSCGKSA-N 1 0 380.401 0.850 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[N@H+](C)C1 ZINC000413157241 1194086019 /nfs/dbraw/zinc/08/60/19/1194086019.db2.gz PTFJYQDOLRAACQ-ZDUSSCGKSA-N 1 0 380.401 0.850 20 5 GCBDRO [NH3+]C1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC000419800327 1194106295 /nfs/dbraw/zinc/10/62/95/1194106295.db2.gz HLPUYUIMYFOWHA-UHFFFAOYSA-N 1 0 376.413 0.962 20 5 GCBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000419856737 1194122989 /nfs/dbraw/zinc/12/29/89/1194122989.db2.gz FPKPFWHHGKWYRA-MRXNPFEDSA-N 1 0 376.413 0.818 20 5 GCBDRO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419859829 1194123427 /nfs/dbraw/zinc/12/34/27/1194123427.db2.gz ZWLSCCROHPVNOE-UHFFFAOYSA-N 1 0 375.429 0.502 20 5 GCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000419899057 1194136309 /nfs/dbraw/zinc/13/63/09/1194136309.db2.gz QGWRRCMHXJPLOB-KGLIPLIRSA-N 1 0 375.429 0.630 20 5 GCBDRO C[C@@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000419909901 1194142315 /nfs/dbraw/zinc/14/23/15/1194142315.db2.gz ZOBCXPDYFJRFIU-OLZOCXBDSA-N 1 0 376.413 0.689 20 5 GCBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000419936450 1194145363 /nfs/dbraw/zinc/14/53/63/1194145363.db2.gz UHTOEIMUVULSAL-OAHLLOKOSA-N 1 0 398.423 0.455 20 5 GCBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420025393 1194159079 /nfs/dbraw/zinc/15/90/79/1194159079.db2.gz BPADHTKCYCYPLH-IAQYHMDHSA-N 1 0 376.413 0.709 20 5 GCBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420044149 1194167611 /nfs/dbraw/zinc/16/76/11/1194167611.db2.gz SOSGSZQKJDTMPB-XHDPSFHLSA-N 1 0 392.412 0.414 20 5 GCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000420073979 1194172476 /nfs/dbraw/zinc/17/24/76/1194172476.db2.gz PQCPNMQDFRYHFC-INIZCTEOSA-N 1 0 376.413 0.818 20 5 GCBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420136403 1194184877 /nfs/dbraw/zinc/18/48/77/1194184877.db2.gz DBEOPJSWPBWOET-ZDUSSCGKSA-N 1 0 378.433 0.272 20 5 GCBDRO CS(=O)(=O)c1cccc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000420167267 1194199621 /nfs/dbraw/zinc/19/96/21/1194199621.db2.gz JMXVUFKPWOTVJD-ZDUSSCGKSA-N 1 0 396.469 0.647 20 5 GCBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000518514670 1194211803 /nfs/dbraw/zinc/21/18/03/1194211803.db2.gz HNNLZXYDCYYCAX-AWEZNQCLSA-N 1 0 375.429 0.441 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420263430 1194218660 /nfs/dbraw/zinc/21/86/60/1194218660.db2.gz SOSOLHWJIZMPGE-KBPBESRZSA-N 1 0 396.469 0.661 20 5 GCBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420263433 1194218755 /nfs/dbraw/zinc/21/87/55/1194218755.db2.gz SOSOLHWJIZMPGE-ZIAGYGMSSA-N 1 0 396.469 0.661 20 5 GCBDRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420596012 1194248741 /nfs/dbraw/zinc/24/87/41/1194248741.db2.gz GROKRYNJFSKXKC-UHFFFAOYSA-N 1 0 378.433 0.096 20 5 GCBDRO CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000502724964 1194351824 /nfs/dbraw/zinc/35/18/24/1194351824.db2.gz RVSYNIYHEWOIKY-UHFFFAOYSA-N 1 0 384.458 0.816 20 5 GCBDRO COC(=O)[C@H]1CN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413895241 1194357289 /nfs/dbraw/zinc/35/72/89/1194357289.db2.gz QJJXSPLOJPMEFQ-LLVKDONJSA-N 1 0 383.376 0.848 20 5 GCBDRO COC(=O)[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000413922748 1194362594 /nfs/dbraw/zinc/36/25/94/1194362594.db2.gz QBRLSRUAPVHZEX-AWEZNQCLSA-N 1 0 392.412 0.278 20 5 GCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000502918027 1194368694 /nfs/dbraw/zinc/36/86/94/1194368694.db2.gz FOIPQESSPXFYQN-BZNIZROVSA-N 1 0 384.458 0.690 20 5 GCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422028769 1194377619 /nfs/dbraw/zinc/37/76/19/1194377619.db2.gz XKLHACBRFUEXSP-CQSZACIVSA-N 1 0 384.458 0.816 20 5 GCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000422100758 1194385054 /nfs/dbraw/zinc/38/50/54/1194385054.db2.gz LNUAWEQRODQBET-KRWDZBQOSA-N 1 0 389.456 0.796 20 5 GCBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000503162406 1194400469 /nfs/dbraw/zinc/40/04/69/1194400469.db2.gz OOKMTJPTBDIZJA-OAHLLOKOSA-N 1 0 384.458 0.864 20 5 GCBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422188082 1194404144 /nfs/dbraw/zinc/40/41/44/1194404144.db2.gz LRHKNQMCSGHROZ-AWEZNQCLSA-N 1 0 392.460 0.485 20 5 GCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422938355 1194710021 /nfs/dbraw/zinc/71/00/21/1194710021.db2.gz PLBNRGYVYLGIOK-HZPDHXFCSA-N 1 0 384.458 0.230 20 5 GCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422951197 1194712153 /nfs/dbraw/zinc/71/21/53/1194712153.db2.gz ZVQCHGLCRZHMPX-HOTGVXAUSA-N 1 0 384.458 0.230 20 5 GCBDRO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422994353 1194713630 /nfs/dbraw/zinc/71/36/30/1194713630.db2.gz VDHDXXCLMSGBSV-CABCVRRESA-N 1 0 387.440 0.311 20 5 GCBDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422993700 1194714268 /nfs/dbraw/zinc/71/42/68/1194714268.db2.gz TZHJYFVCCKSGQD-UHFFFAOYSA-N 1 0 389.456 0.701 20 5 GCBDRO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422985819 1194715637 /nfs/dbraw/zinc/71/56/37/1194715637.db2.gz ALVHTAWVWVRXMX-GASCZTMLSA-N 1 0 387.440 0.596 20 5 GCBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422986842 1194716170 /nfs/dbraw/zinc/71/61/70/1194716170.db2.gz DLAUOXPYNDFUQN-SFHVURJKSA-N 1 0 375.429 0.441 20 5 GCBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423152251 1194731525 /nfs/dbraw/zinc/73/15/25/1194731525.db2.gz LJXMWLCBZOZXFG-CQSZACIVSA-N 1 0 375.429 0.454 20 5 GCBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000423153303 1194732101 /nfs/dbraw/zinc/73/21/01/1194732101.db2.gz NAIPSIKAQWDSFP-CQSZACIVSA-N 1 0 389.456 0.829 20 5 GCBDRO [NH3+]CC1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000423157472 1194732495 /nfs/dbraw/zinc/73/24/95/1194732495.db2.gz VDOMWAWGMYFTFQ-UHFFFAOYSA-N 1 0 375.429 0.441 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423159601 1194733972 /nfs/dbraw/zinc/73/39/72/1194733972.db2.gz YKKQQHANKCLTTM-OAHLLOKOSA-N 1 0 389.456 0.831 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000423386738 1194752979 /nfs/dbraw/zinc/75/29/79/1194752979.db2.gz JLYKSWSEIFHODJ-MRXNPFEDSA-N 1 0 392.412 0.151 20 5 GCBDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000423400860 1194753578 /nfs/dbraw/zinc/75/35/78/1194753578.db2.gz VITWRYCUTLGMCG-CYBMUJFWSA-N 1 0 376.413 0.785 20 5 GCBDRO CCOc1cc(N2CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC2)ccc1[N+](=O)[O-] ZINC000423474402 1194758995 /nfs/dbraw/zinc/75/89/95/1194758995.db2.gz HHVPAVGMDCDTIC-UHFFFAOYSA-N 1 0 393.444 0.320 20 5 GCBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423567449 1194767816 /nfs/dbraw/zinc/76/78/16/1194767816.db2.gz CXBXJKXPQIVHNK-CYBMUJFWSA-N 1 0 376.413 0.772 20 5 GCBDRO C[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@H]1C[NH3+] ZINC000423569903 1194768241 /nfs/dbraw/zinc/76/82/41/1194768241.db2.gz GDZWYZDZUBQYFK-QWHCGFSZSA-N 1 0 376.413 0.628 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423569402 1194768247 /nfs/dbraw/zinc/76/82/47/1194768247.db2.gz FTGZYRGGOSNHMP-QWHCGFSZSA-N 1 0 376.413 0.770 20 5 GCBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423584049 1194770866 /nfs/dbraw/zinc/77/08/66/1194770866.db2.gz CTIQDBNQRZSIHC-UHFFFAOYSA-N 1 0 378.433 0.082 20 5 GCBDRO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000423692755 1194783047 /nfs/dbraw/zinc/78/30/47/1194783047.db2.gz JKNULMHAPTYAGE-CABCVRRESA-N 1 0 387.440 0.596 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000423697948 1194783428 /nfs/dbraw/zinc/78/34/28/1194783428.db2.gz LWCIJYFDPOJLKO-GDBMZVCRSA-N 1 0 376.413 0.487 20 5 GCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000423697949 1194783586 /nfs/dbraw/zinc/78/35/86/1194783586.db2.gz LWCIJYFDPOJLKO-GOEBONIOSA-N 1 0 376.413 0.487 20 5 GCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423686885 1194785985 /nfs/dbraw/zinc/78/59/85/1194785985.db2.gz URQHQLZWHZROIQ-YOEHRIQHSA-N 1 0 389.456 0.972 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@@H]1C[NH3+] ZINC000423722963 1194789148 /nfs/dbraw/zinc/78/91/48/1194789148.db2.gz GDHAZUKDVLAFBU-WMLDXEAASA-N 1 0 389.456 0.829 20 5 GCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423745045 1194791148 /nfs/dbraw/zinc/79/11/48/1194791148.db2.gz NIQWFRPCXDNTQB-QGZVFWFLSA-N 1 0 389.456 0.844 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H]1C[NH3+] ZINC000423746941 1194791455 /nfs/dbraw/zinc/79/14/55/1194791455.db2.gz YLPAMSBUZNJCAF-ZFWWWQNUSA-N 1 0 390.444 0.224 20 5 GCBDRO C[C@H]1CCCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@H]1C[NH3+] ZINC000423737871 1194792454 /nfs/dbraw/zinc/79/24/54/1194792454.db2.gz QGGBXEZHMGEZSN-JSGCOSHPSA-N 1 0 378.433 0.541 20 5 GCBDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@H]1C[NH3+] ZINC000423737872 1194792527 /nfs/dbraw/zinc/79/25/27/1194792527.db2.gz QGGBXEZHMGEZSN-OCCSQVGLSA-N 1 0 378.433 0.541 20 5 GCBDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423902480 1194795790 /nfs/dbraw/zinc/79/57/90/1194795790.db2.gz PGBXWCXYUVCZBX-LBPRGKRZSA-N 1 0 390.400 0.400 20 5 GCBDRO CN(CC(=O)N[C@H](C[NH3+])C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423971022 1194797727 /nfs/dbraw/zinc/79/77/27/1194797727.db2.gz XWZODBCMEYAOKF-OAHLLOKOSA-N 1 0 384.458 0.849 20 5 GCBDRO C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424026679 1194799545 /nfs/dbraw/zinc/79/95/45/1194799545.db2.gz XPIGYAKYAQLEQK-CHWSQXEVSA-N 1 0 384.458 0.659 20 5 GCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424233339 1194806506 /nfs/dbraw/zinc/80/65/06/1194806506.db2.gz ITQDXADREFBSIA-KNXALSJPSA-N 1 0 386.412 0.400 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424446115 1194811984 /nfs/dbraw/zinc/81/19/84/1194811984.db2.gz HJINAKKQNGMFTM-UONOGXRCSA-N 1 0 386.412 0.837 20 5 GCBDRO CC1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000434685488 1194859823 /nfs/dbraw/zinc/85/98/23/1194859823.db2.gz OLPINCAWOMEXHS-UHFFFAOYSA-N 1 0 385.446 0.303 20 5 GCBDRO C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000435092839 1194888985 /nfs/dbraw/zinc/88/89/85/1194888985.db2.gz AOTMSPGCONWQEM-KRWDZBQOSA-N 1 0 396.469 0.817 20 5 GCBDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515235131 1194961198 /nfs/dbraw/zinc/96/11/98/1194961198.db2.gz SEFMGPXWIUZENK-VQIMIIECSA-N 1 0 388.472 0.953 20 5 GCBDRO COc1cccc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000435829554 1194968354 /nfs/dbraw/zinc/96/83/54/1194968354.db2.gz WJBUIGHBUDNCJC-UHFFFAOYSA-N 1 0 390.400 0.730 20 5 GCBDRO COc1ccc(NC(=O)CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000436047777 1194982238 /nfs/dbraw/zinc/98/22/38/1194982238.db2.gz FADQWUHCWGIBQM-CYBMUJFWSA-N 1 0 393.444 0.861 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425515144 1194996321 /nfs/dbraw/zinc/99/63/21/1194996321.db2.gz WPNCDSAZBUPPPB-HONMWMINSA-N 1 0 382.323 0.955 20 5 GCBDRO C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCC[NH+](C)C ZINC000516582210 1195070742 /nfs/dbraw/zinc/07/07/42/1195070742.db2.gz FGTUPDBYBRDYDP-NSHDSACASA-N 1 0 380.401 0.091 20 5 GCBDRO COC(=O)CN1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000516607100 1195072985 /nfs/dbraw/zinc/07/29/85/1195072985.db2.gz AILYNXBWVYCTTK-NSHDSACASA-N 1 0 386.430 0.539 20 5 GCBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000516771680 1195093574 /nfs/dbraw/zinc/09/35/74/1195093574.db2.gz RJBYDNDMAVJQAH-BFQNTYOBSA-N 1 0 384.458 0.766 20 5 GCBDRO CC[N@H+](CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000517081107 1195132136 /nfs/dbraw/zinc/13/21/36/1195132136.db2.gz OJPPUUBDSZGHOV-UHFFFAOYSA-N 1 0 384.458 0.864 20 5 GCBDRO Cn1ncc2c1ncnc2NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000506136876 1195162016 /nfs/dbraw/zinc/16/20/16/1195162016.db2.gz CDWPNCMOIKJEBO-UHFFFAOYSA-N 1 0 377.386 0.662 20 5 GCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517722170 1195210490 /nfs/dbraw/zinc/21/04/90/1195210490.db2.gz QABQBKWUXLECCE-DZGCQCFKSA-N 1 0 390.444 0.272 20 5 GCBDRO C[NH+]1CCN(CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000518002358 1195237759 /nfs/dbraw/zinc/23/77/59/1195237759.db2.gz UOZZRJJDTDKEJA-UHFFFAOYSA-N 1 0 391.428 0.074 20 5 GCBDRO COC(=O)CNC(=O)c1ccc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000518363993 1195283049 /nfs/dbraw/zinc/28/30/49/1195283049.db2.gz FSHRBMMGIXXVFA-UHFFFAOYSA-N 1 0 394.428 0.391 20 5 GCBDRO C[NH+](C)CCn1c(=O)oc2ccc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000518520463 1195300545 /nfs/dbraw/zinc/30/05/45/1195300545.db2.gz OUIQVABUHOGCAB-AWEZNQCLSA-N 1 0 390.400 0.734 20 5 GCBDRO C[NH+](C)CCn1c(=O)oc2ccc(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc21 ZINC000518520464 1195300577 /nfs/dbraw/zinc/30/05/77/1195300577.db2.gz OUIQVABUHOGCAB-CQSZACIVSA-N 1 0 390.400 0.734 20 5 GCBDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000518520486 1195300766 /nfs/dbraw/zinc/30/07/66/1195300766.db2.gz PXYFLZPYILESKF-ZFWWWQNUSA-N 1 0 382.442 0.913 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440337806 1195409784 /nfs/dbraw/zinc/40/97/84/1195409784.db2.gz IHBRQUYFZAYNMZ-CQSZACIVSA-N 1 0 396.469 0.736 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440337803 1195409893 /nfs/dbraw/zinc/40/98/93/1195409893.db2.gz IHBRQUYFZAYNMZ-AWEZNQCLSA-N 1 0 396.469 0.736 20 5 GCBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000426883274 1195488701 /nfs/dbraw/zinc/48/87/01/1195488701.db2.gz SBNKLRBIFYFJPO-CQSZACIVSA-N 1 0 382.442 0.616 20 5 GCBDRO NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000520252940 1195612590 /nfs/dbraw/zinc/61/25/90/1195612590.db2.gz LGAJGGWWTWFZCH-ZDUSSCGKSA-N 1 0 384.458 0.933 20 5 GCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000520560790 1195787381 /nfs/dbraw/zinc/78/73/81/1195787381.db2.gz MVNNRBPBCSCZJN-CQSZACIVSA-N 1 0 392.460 0.893 20 5 GCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000427631028 1195836096 /nfs/dbraw/zinc/83/60/96/1195836096.db2.gz PJFZFDYXNSCSIJ-UHFFFAOYSA-N 1 0 380.445 0.723 20 5 GCBDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC000427979656 1195902130 /nfs/dbraw/zinc/90/21/30/1195902130.db2.gz PURXLOAHRWPJKK-AWEZNQCLSA-N 1 0 376.413 0.726 20 5 GCBDRO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000520811503 1195923901 /nfs/dbraw/zinc/92/39/01/1195923901.db2.gz KMRWQTKUZLAENP-WDEREUQCSA-N 1 0 387.414 0.508 20 5 GCBDRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000441996236 1195937523 /nfs/dbraw/zinc/93/75/23/1195937523.db2.gz CMBHNPVTIRUHNQ-ZDUSSCGKSA-N 1 0 391.428 0.545 20 5 GCBDRO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000521230713 1195978776 /nfs/dbraw/zinc/97/87/76/1195978776.db2.gz NLFSGZIGGMPKRY-CYBMUJFWSA-N 1 0 386.416 0.296 20 5 GCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000438968826 1195987568 /nfs/dbraw/zinc/98/75/68/1195987568.db2.gz BCLWTRZAGJLUOF-MRXNPFEDSA-N 1 0 386.408 0.292 20 5 GCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000521922209 1196025557 /nfs/dbraw/zinc/02/55/57/1196025557.db2.gz ZMZADAAVFJDFMT-UHFFFAOYSA-N 1 0 387.444 0.885 20 5 GCBDRO COc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000443284869 1196033907 /nfs/dbraw/zinc/03/39/07/1196033907.db2.gz PRYVMALGNGULST-CYBMUJFWSA-N 1 0 387.458 0.975 20 5 GCBDRO COC(=O)COc1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000474350747 1196111087 /nfs/dbraw/zinc/11/10/87/1196111087.db2.gz QOOGSOZISPCBJO-UHFFFAOYSA-N 1 0 381.385 0.518 20 5 GCBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000280863496 1196115020 /nfs/dbraw/zinc/11/50/20/1196115020.db2.gz DOIATDQUKDSEDH-OLZOCXBDSA-N 1 0 382.442 0.616 20 5 GCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896572536 1196167667 /nfs/dbraw/zinc/16/76/67/1196167667.db2.gz QDKPGURVVYPUOL-KSSFIOAISA-N 1 0 391.472 0.796 20 5 GCBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000281373823 1196292061 /nfs/dbraw/zinc/29/20/61/1196292061.db2.gz WUQSRTNUZAQYEQ-UHFFFAOYSA-N 1 0 378.429 0.905 20 5 GCBDRO C[N@@H+]1CCN(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1(C)C ZINC000281703623 1196324158 /nfs/dbraw/zinc/32/41/58/1196324158.db2.gz HDHBKTKHMCUQPJ-UHFFFAOYSA-N 1 0 387.444 0.931 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000281750639 1196330397 /nfs/dbraw/zinc/33/03/97/1196330397.db2.gz VXSZZUFDANVQFL-CYBMUJFWSA-N 1 0 379.417 0.294 20 5 GCBDRO Nc1nc(OCc2ccc(C[NH3+])cc2)c2ncnc-2n1-c1nccnc1[N+](=O)[O-] ZINC001168050527 1196341637 /nfs/dbraw/zinc/34/16/37/1196341637.db2.gz RKZSSNFSZXQHGM-UHFFFAOYSA-N 1 0 393.367 0.964 20 5 GCBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000444161810 1196355304 /nfs/dbraw/zinc/35/53/04/1196355304.db2.gz QGSOGZZMGCUHDJ-DOTOQJQBSA-N 1 0 394.453 0.427 20 5 GCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367510383 1196379416 /nfs/dbraw/zinc/37/94/16/1196379416.db2.gz OUCWVLZAQIAGEA-UHFFFAOYSA-N 1 0 379.413 0.659 20 5 GCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 ZINC000444368377 1196434757 /nfs/dbraw/zinc/43/47/57/1196434757.db2.gz WUDGSPCCKXJTCX-QGZVFWFLSA-N 1 0 376.369 0.045 20 5 GCBDRO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000440504148 1196511356 /nfs/dbraw/zinc/51/13/56/1196511356.db2.gz WIOWJXATMPPFMV-RHSMWYFYSA-N 1 0 383.449 0.548 20 5 GCBDRO COc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc([N+](=O)[O-])c1OC ZINC000525056373 1196646908 /nfs/dbraw/zinc/64/69/08/1196646908.db2.gz SRCLAJJQWCJUFP-LBPRGKRZSA-N 1 0 394.428 0.929 20 5 GCBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000467517671 1196681747 /nfs/dbraw/zinc/68/17/47/1196681747.db2.gz XCPQSYQPMLGKOU-UHFFFAOYSA-N 1 0 380.445 0.826 20 5 GCBDRO [NH3+]CC[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000449713803 1196894772 /nfs/dbraw/zinc/89/47/72/1196894772.db2.gz APSODHPZMCDBJS-NSHDSACASA-N 1 0 398.363 0.659 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452366641 1197056235 /nfs/dbraw/zinc/05/62/35/1197056235.db2.gz OWZXLFLEDJKDKS-KBPBESRZSA-N 1 0 382.465 0.790 20 5 GCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CCCC[N@H+]1CCO ZINC000452388791 1197056300 /nfs/dbraw/zinc/05/63/00/1197056300.db2.gz KNJJVTOWILGISY-CQSZACIVSA-N 1 0 379.413 0.872 20 5 GCBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000531292238 1197063128 /nfs/dbraw/zinc/06/31/28/1197063128.db2.gz HZQCNPQKXIOMFQ-GFCCVEGCSA-N 1 0 382.442 0.861 20 5 GCBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520185542 1197083092 /nfs/dbraw/zinc/08/30/92/1197083092.db2.gz ZDDOVCXRYWSDHU-GFCCVEGCSA-N 1 0 382.442 0.616 20 5 GCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453805011 1197138394 /nfs/dbraw/zinc/13/83/94/1197138394.db2.gz JCJCVGIFGNSSBC-AWEZNQCLSA-N 1 0 394.428 0.895 20 5 GCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000127082994 1197359827 /nfs/dbraw/zinc/35/98/27/1197359827.db2.gz SZRZKCOAYMAFDL-SJORKVTESA-N 1 0 386.408 0.508 20 5 GCBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000536610238 1197378360 /nfs/dbraw/zinc/37/83/60/1197378360.db2.gz KBOWRGLEAOQAHQ-STQMWFEESA-N 1 0 384.458 0.766 20 5 GCBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429743575 1197404644 /nfs/dbraw/zinc/40/46/44/1197404644.db2.gz LEVGRZYVCYNHRI-ZDUSSCGKSA-N 1 0 382.442 0.570 20 5 GCBDRO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 ZINC000532918942 1197421583 /nfs/dbraw/zinc/42/15/83/1197421583.db2.gz GOYIHZQBZMRAOK-UHFFFAOYSA-N 1 0 396.469 0.770 20 5 GCBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614895163 1197485278 /nfs/dbraw/zinc/48/52/78/1197485278.db2.gz DDKNNUPQYGSMNB-UHFFFAOYSA-N 1 0 378.429 0.548 20 5 GCBDRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000121969612 1197526838 /nfs/dbraw/zinc/52/68/38/1197526838.db2.gz IVABXYJQVBIBQY-CABCVRRESA-N 1 0 391.472 0.713 20 5 GCBDRO COc1cc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000428596876 1197550475 /nfs/dbraw/zinc/55/04/75/1197550475.db2.gz IJLSBPFCCJYZHV-AWEZNQCLSA-N 1 0 376.413 0.887 20 5 GCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000429751675 1197555331 /nfs/dbraw/zinc/55/53/31/1197555331.db2.gz LIXNDEPYIAQRJT-CABCVRRESA-N 1 0 396.469 0.864 20 5 GCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000265723524 1199020141 /nfs/dbraw/zinc/02/01/41/1199020141.db2.gz NCDCLNHMUHULQO-UONOGXRCSA-N 1 0 378.429 0.798 20 5 GCBDRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273531522 1199026078 /nfs/dbraw/zinc/02/60/78/1199026078.db2.gz UTYMTTHAFOEMIW-UHFFFAOYSA-N 1 0 398.485 0.814 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000465736927 1199038985 /nfs/dbraw/zinc/03/89/85/1199038985.db2.gz LOJHGIBLAPUZQX-STQMWFEESA-N 1 0 399.473 0.655 20 5 GCBDRO C[C@@H]1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000465768085 1199059652 /nfs/dbraw/zinc/05/96/52/1199059652.db2.gz GVPIHYKAPPLNOD-CHWSQXEVSA-N 1 0 399.473 0.655 20 5 GCBDRO C[C@H]1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000465991297 1199314792 /nfs/dbraw/zinc/31/47/92/1199314792.db2.gz ZANZIOLHEKXBRU-STQMWFEESA-N 1 0 399.473 0.655 20 5 GCBDRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265819253 1199437826 /nfs/dbraw/zinc/43/78/26/1199437826.db2.gz OCRNAILUXKSMGC-CQSZACIVSA-N 1 0 396.469 0.912 20 5 GCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000465034789 1199811296 /nfs/dbraw/zinc/81/12/96/1199811296.db2.gz NJGZANCSUPYORI-UHFFFAOYSA-N 1 0 392.412 0.141 20 5 GCBDRO C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000330778267 1199861508 /nfs/dbraw/zinc/86/15/08/1199861508.db2.gz BHHAZWJLGLHMCM-BETUJISGSA-N 1 0 384.458 0.814 20 5 GCBDRO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000428976183 1199867311 /nfs/dbraw/zinc/86/73/11/1199867311.db2.gz IPDATIQFWDMQTJ-OLZOCXBDSA-N 1 0 384.458 0.768 20 5 GCBDRO COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000331266355 1199868688 /nfs/dbraw/zinc/86/86/88/1199868688.db2.gz CIFXCOSMGGQZGZ-AWEZNQCLSA-N 1 0 376.413 0.982 20 5 GCBDRO C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000428979841 1199870229 /nfs/dbraw/zinc/87/02/29/1199870229.db2.gz SWUSQJSLEGSSFK-VXGBXAGGSA-N 1 0 399.473 0.549 20 5 GCBDRO C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000428988747 1199875393 /nfs/dbraw/zinc/87/53/93/1199875393.db2.gz CFYPSADDTAVGKL-CHWSQXEVSA-N 1 0 384.458 0.768 20 5 GCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428993661 1199877014 /nfs/dbraw/zinc/87/70/14/1199877014.db2.gz NYZHEEZAGLYYTO-STQMWFEESA-N 1 0 395.464 0.141 20 5 GCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489828670 1199920979 /nfs/dbraw/zinc/92/09/79/1199920979.db2.gz PKPYRMDODUHNKX-UKRRQHHQSA-N 1 0 377.445 0.910 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000028264930 1199924073 /nfs/dbraw/zinc/92/40/73/1199924073.db2.gz VHNGHZTWDQVQQH-AWEZNQCLSA-N 1 0 395.437 0.903 20 5 GCBDRO CN(C(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000131331897 1199924087 /nfs/dbraw/zinc/92/40/87/1199924087.db2.gz NPSBIAFFSAHOBF-QGZVFWFLSA-N 1 0 389.456 0.972 20 5 GCBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162043418 1199929579 /nfs/dbraw/zinc/92/95/79/1199929579.db2.gz CACXHVSXFGSSAP-HZPDHXFCSA-N 1 0 393.492 0.991 20 5 GCBDRO C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000429152622 1199956355 /nfs/dbraw/zinc/95/63/55/1199956355.db2.gz AVUDCLMPCNZCSZ-SWLSCSKDSA-N 1 0 384.458 0.849 20 5 GCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000132091788 1199956802 /nfs/dbraw/zinc/95/68/02/1199956802.db2.gz SFEDXDMLHIHUEC-CYBMUJFWSA-N 1 0 386.412 0.708 20 5 GCBDRO C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000429181161 1200054524 /nfs/dbraw/zinc/05/45/24/1200054524.db2.gz LNACRKOOXIKVHF-WFASDCNBSA-N 1 0 384.458 0.801 20 5 GCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001128735559 1200263166 /nfs/dbraw/zinc/26/31/66/1200263166.db2.gz BDLHKWMOXAKCFJ-AGUYFDCRSA-N 1 0 378.433 0.300 20 5 GCBDRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000041329527 1200383145 /nfs/dbraw/zinc/38/31/45/1200383145.db2.gz IIKWRMMZZIJRLN-INIZCTEOSA-N 1 0 377.445 0.922 20 5 GCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000555299636 1200633301 /nfs/dbraw/zinc/63/33/01/1200633301.db2.gz LLKXGKKHTAAOPV-UHFFFAOYSA-N 1 0 388.428 0.993 20 5 GCBDRO CNc1nccc(C(=O)N2CCC([NH+](CCOC)CCOC)CC2)c1[N+](=O)[O-] ZINC000570105064 1200736650 /nfs/dbraw/zinc/73/66/50/1200736650.db2.gz UIMQHWANDOZRID-UHFFFAOYSA-N 1 0 395.460 1.231 20 5 GCBDRO CNc1nccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000594285967 1200737165 /nfs/dbraw/zinc/73/71/65/1200737165.db2.gz CMBOEFDYSLYRHJ-UHFFFAOYSA-N 1 0 376.461 1.131 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429297997 1200746749 /nfs/dbraw/zinc/74/67/49/1200746749.db2.gz WHFBIYRKBRJOHT-DOMZBBRYSA-N 1 0 384.458 0.897 20 5 GCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429297999 1200746886 /nfs/dbraw/zinc/74/68/86/1200746886.db2.gz WHFBIYRKBRJOHT-IUODEOHRSA-N 1 0 384.458 0.897 20 5 GCBDRO Cc1cc(NC(=O)CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000584287702 1200834123 /nfs/dbraw/zinc/83/41/23/1200834123.db2.gz YUVKKDUPJRGKME-UHFFFAOYSA-N 1 0 382.398 1.283 20 5 GCBDRO Cc1cc(NC(=O)CC[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000583198761 1200834501 /nfs/dbraw/zinc/83/45/01/1200834501.db2.gz FUURQOXPJIATJJ-UHFFFAOYSA-N 1 0 397.413 0.788 20 5 GCBDRO C[NH2+]CC1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000429445686 1201054065 /nfs/dbraw/zinc/05/40/65/1201054065.db2.gz IQJCYEDVDXZMIB-UHFFFAOYSA-N 1 0 384.458 0.721 20 5 GCBDRO CC[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088470 1201214438 /nfs/dbraw/zinc/21/44/38/1201214438.db2.gz YCRPGUOATGSBLL-CYBMUJFWSA-N 1 0 384.458 0.816 20 5 GCBDRO CC[N@@H+]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611088145 1201215930 /nfs/dbraw/zinc/21/59/30/1201215930.db2.gz FLVTZNAIJKUVLA-GFCCVEGCSA-N 1 0 399.473 0.597 20 5 GCBDRO CC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000727062831 1201332037 /nfs/dbraw/zinc/33/20/37/1201332037.db2.gz QWMCAGXCRJEPNF-UHFFFAOYSA-N 1 0 386.430 0.046 20 5 GCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000728076122 1201397344 /nfs/dbraw/zinc/39/73/44/1201397344.db2.gz AWFLTFKZECQIDB-NSHDSACASA-N 1 0 379.373 0.820 20 5 GCBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000733167673 1201579314 /nfs/dbraw/zinc/57/93/14/1201579314.db2.gz YOAIXVFSSOIOPG-HNNXBMFYSA-N 1 0 386.474 0.966 20 5 GCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+](C)CC1 ZINC000733882397 1201611385 /nfs/dbraw/zinc/61/13/85/1201611385.db2.gz KLRGPDWQPWZZSX-HNNXBMFYSA-N 1 0 391.472 0.797 20 5 GCBDRO COCCCn1nccc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282666583 1201618975 /nfs/dbraw/zinc/61/89/75/1201618975.db2.gz NFRUSYUMTIMSNJ-UHFFFAOYSA-N 1 0 397.457 0.896 20 5 GCBDRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000735855665 1201704146 /nfs/dbraw/zinc/70/41/46/1201704146.db2.gz MHGXGNXBGIRILG-NEPJUHHUSA-N 1 0 398.441 0.144 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000741608641 1201781583 /nfs/dbraw/zinc/78/15/83/1201781583.db2.gz CRGLLEDZLKDSPX-UHFFFAOYSA-N 1 0 378.364 0.861 20 5 GCBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000741713948 1201783188 /nfs/dbraw/zinc/78/31/88/1201783188.db2.gz NUESAQSNETUMTI-UHFFFAOYSA-N 1 0 375.389 0.304 20 5 GCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000744406455 1201842173 /nfs/dbraw/zinc/84/21/73/1201842173.db2.gz DFGIDOXWCRANIU-BXUZGUMPSA-N 1 0 377.361 0.642 20 5 GCBDRO [NH3+]CCCCCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000746287372 1201905069 /nfs/dbraw/zinc/90/50/69/1201905069.db2.gz YFVINDAAPAICGM-UHFFFAOYSA-N 1 0 384.458 0.947 20 5 GCBDRO CCS(=O)(=O)N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001169018654 1201930930 /nfs/dbraw/zinc/93/09/30/1201930930.db2.gz BLHBPAGXDDESEK-JKJDWNRSSA-N 1 0 375.491 0.851 20 5 GCBDRO 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 1201931154 /nfs/dbraw/zinc/93/11/54/1201931154.db2.gz GIRFVTDZPZIWSB-ALYAQQCSSA-N 1 0 387.502 0.945 20 5 GCBDRO CS(=O)(=O)N1CCOCC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169025357 1201931492 /nfs/dbraw/zinc/93/14/92/1201931492.db2.gz TXTXFOTVUADPQZ-HUUCEWRRSA-N 1 0 375.491 0.806 20 5 GCBDRO 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 1201931603 /nfs/dbraw/zinc/93/16/03/1201931603.db2.gz XZPFBLKNKORCDO-NBZXXOOGSA-N 1 0 391.472 0.932 20 5 GCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000767262672 1201969279 /nfs/dbraw/zinc/96/92/79/1201969279.db2.gz MQSPXPLTKOUFIJ-CQSZACIVSA-N 1 0 397.457 0.161 20 5 GCBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000790870543 1205471789 /nfs/dbraw/zinc/47/17/89/1205471789.db2.gz DUIXUQCURDAMJX-UHFFFAOYSA-N 1 0 390.418 0.976 20 5 GCBDRO C[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[N@H+](C)C1CC1 ZINC000804430443 1205515483 /nfs/dbraw/zinc/51/54/83/1205515483.db2.gz PMADSYJNKKZEOL-CQSZACIVSA-N 1 0 389.456 0.842 20 5 GCBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000808270802 1205604924 /nfs/dbraw/zinc/60/49/24/1205604924.db2.gz LAOVDLZQUFOHGD-WHWKNOJMSA-N 1 0 390.440 0.903 20 5 GCBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001132760394 1205650681 /nfs/dbraw/zinc/65/06/81/1205650681.db2.gz BKRDOCWYXSTRAW-QGZVFWFLSA-N 1 0 381.385 0.743 20 5 GCBDRO CCN(CC(=O)NC)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000811809331 1205657498 /nfs/dbraw/zinc/65/74/98/1205657498.db2.gz BYNAZMJSWMLGDU-UHFFFAOYSA-N 1 0 387.462 0.007 20 5 GCBDRO Cc1cn(CC(=O)NCC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC001173219668 1205718946 /nfs/dbraw/zinc/71/89/46/1205718946.db2.gz PAIWOCGPYLMJKJ-ZDUSSCGKSA-N 1 0 389.412 0.503 20 5 GCBDRO Cc1cn(CC(=O)NCC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC001173219667 1205719024 /nfs/dbraw/zinc/71/90/24/1205719024.db2.gz PAIWOCGPYLMJKJ-CYBMUJFWSA-N 1 0 389.412 0.503 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCN2CCOCC2)CC1 ZINC001173692423 1205726315 /nfs/dbraw/zinc/72/63/15/1205726315.db2.gz VSXJIIASJFYINE-UHFFFAOYSA-N 1 0 398.485 0.670 20 5 GCBDRO O=C(C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC001173690855 1205726320 /nfs/dbraw/zinc/72/63/20/1205726320.db2.gz ALLPKZCTVSMJCX-UHFFFAOYSA-N 1 0 396.469 0.960 20 5 GCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CC2(O)CCOCC2)CC1 ZINC001173691265 1205726497 /nfs/dbraw/zinc/72/64/97/1205726497.db2.gz KOKLTUVDXKVOLG-UHFFFAOYSA-N 1 0 399.469 0.879 20 5 GCBDRO CC1(C)C(=O)NC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695635 1205726653 /nfs/dbraw/zinc/72/66/53/1205726653.db2.gz OKUWYWDAFZZZKY-OAHLLOKOSA-N 1 0 396.469 0.862 20 5 GCBDRO CN(C)C(=O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698708 1205727041 /nfs/dbraw/zinc/72/70/41/1205727041.db2.gz MEEKMOZLZHDLQM-UHFFFAOYSA-N 1 0 384.458 0.768 20 5 GCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001175933227 1205742479 /nfs/dbraw/zinc/74/24/79/1205742479.db2.gz PNTKMJBDNXNLKQ-OAHLLOKOSA-N 1 0 380.449 0.013 20 5 GCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001175934596 1205742696 /nfs/dbraw/zinc/74/26/96/1205742696.db2.gz XSBKZIGJJBQKLW-AWEZNQCLSA-N 1 0 377.445 0.703 20 5 GCBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CS(N)(=O)=O ZINC001176610001 1205749608 /nfs/dbraw/zinc/74/96/08/1205749608.db2.gz JOQFDHHSALQHPQ-MNOVXSKESA-N 1 0 388.421 0.919 20 5 GCBDRO C[NH+]1CCC2(CCN2C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001180814565 1205833658 /nfs/dbraw/zinc/83/36/58/1205833658.db2.gz WPWXZQXCMZYKTP-UHFFFAOYSA-N 1 0 382.442 0.570 20 5 GCBDRO COc1c(O)ccc(CN2CCCN(C(=O)CNC(C)=O)CC2)c1[N+](=O)[O-] ZINC001183256263 1205890307 /nfs/dbraw/zinc/89/03/07/1205890307.db2.gz JKFALUIRPIWSTR-UHFFFAOYSA-N 1 0 380.401 0.479 20 5 GCBDRO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001184227825 1205906576 /nfs/dbraw/zinc/90/65/76/1205906576.db2.gz GDFBBDVRXSMHCQ-XJKSGUPXSA-N 1 0 393.444 0.997 20 5 GCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001187824128 1205969385 /nfs/dbraw/zinc/96/93/85/1205969385.db2.gz OMJDOGDCXXDXGR-CABCVRRESA-N 1 0 398.485 0.881 20 5 GCBDRO